0 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,0,0,0,0,0|2,0,1]=3 19 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B10R0.71 C#CCCCCCCSCF 62a_100012276617_100015361967 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.71 C#CCCCCCCSCF 62a_100015361967_100012276617 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.71 C#CCCCCCNCCF 34a_100000724931_100012094781 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,0,0,0,0,0|1,0,2]=3 25 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,0,0,0,0,0|2,0,1]=3 28 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,0,0,0,0,0|2,0,1]=3 29 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,0,0,0,0,0|1,0,2]=3 33 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,0,0,0,0,0|1,0,2]=3 34 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,0,0,0,0,0|2,0,1]=3 36 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,0,0,0,0,0|2,0,1]=3 37 B10R0.71 C#CCCCCCSCCF 62a_100011217306_100012094781 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.71 C#CCCCCCSCCF 62a_100012094781_100011217306 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,0,0,0,0,0|1,0,2]=3 40 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,0,0,0,0,0|1,0,2]=3 41 B10R0.71 C#CCCCCCSCOC 62a_100000766300_100012094781 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.71 C#CCCCCCSCOC 62a_100012094781_100000766300 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,0,0,0,0,0|2,0,1]=3 46 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,0,0,0,0,0|2,0,1]=3 47 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,0,0,0,0,0|2,0,1]=3 48 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,0,0,0,0,0|2,0,1]=3 49 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,0,0,0,0,0|1,0,2]=3 54 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,0,0,0,0,0|1,0,2]=3 55 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,0,0,0,0,0|2,0,1]=3 63 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,0,0,0,0,0|2,0,1]=3 64 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,0,0,0,0,0|2,0,1]=3 65 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,0,0,0,0,0|2,0,1]=3 66 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,0,0,0,0,0|1,0,2]=3 72 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,0,0,0,0,0|1,0,2]=3 73 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,0,0,0,0,0|2,0,1]=3 81 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,0,0,0,0,0|2,0,1]=3 82 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,0,0,0,0,0|2,0,2]=4 83 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,0,0,0,0,0|1,0,2]=3 85 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,0,0,0,0,0|1,0,2]=3 86 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,0,0,0,0,0|2,0,1]=3 93 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,0,0,0,0,0|2,0,1]=3 94 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,0,0,0,0,0|1,0,2]=3 96 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,0,0,0,0,0|1,0,2]=3 97 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,0,0,0,0,0|1,0,2]=3 98 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,0,0,0,0,0|3,0,1]=4 100 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,0,0,0,0,0|3,0,1]=4 101 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,0,0,0,0,0|3,0,1]=4 102 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,0,0,0,0,0|3,0,1]=4 103 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,0,0,0,0,0|3,0,1]=4 104 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,0,0,0,0,0|3,0,1]=4 105 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,0,0,0,0,0|3,0,1]=4 106 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,0,0,0,0,0|2,0,1]=3 108 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,0,0,0,0,0|2,0,1]=3 109 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,0,0,0,0,0|2,0,1]=3 110 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,0,0,0,0,0|2,0,1]=3 111 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,0,0,0,0,0|2,0,2]=4 116 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,0,0,0,0,0|1,0,2]=3 120 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,0,0,0,0,0|1,0,2]=3 121 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,0,0,0,0,0|3,0,1]=4 122 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,0,0,0,0,0|3,0,1]=4 124 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,0,0,0,0,0|3,0,1]=4 127 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,0,0,0,0,0|3,0,1]=4 128 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,0,0,0,0,0|3,0,1]=4 129 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,0,0,0,0,0|3,0,1]=4 130 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,0,0,0,0,0|3,0,1]=4 131 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,0,0,0,0,0|3,0,1]=4 132 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,0,0,0,0,0|3,0,1]=4 133 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,0,0,0,0,0|3,0,1]=4 134 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,0,0,0,0,0|3,0,1]=4 135 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,0,0,0,0,0|2,0,1]=3 136 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,0,0,0,0,0|2,0,1]=3 137 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,0,0,0,0,0|1,0,2]=3 140 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,0,0,0,0,0|1,0,2]=3 141 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,0,0,0,0,0|3,0,1]=4 142 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,0,0,0,0,0|3,0,1]=4 143 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,0,0,0,0,0|2,0,1]=3 148 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,0,0,0,0,0|2,0,1]=3 149 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,0,0,0,0,0|1,0,2]=3 151 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,0,0,0,0,0|1,0,2]=3 152 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,0,0,0,0,0|1,0,2]=3 153 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.71 C#CCCNCCOCCO 2230a_100000211614_100000688953 [0,0,0,0,0,0|2,0,2]=4 161 B10R0.71 C#CCCNCCOCCO 34a_100000211614_100000688953 [0,0,0,0,0,0|2,0,2]=4 162 B10R0.71 C#CCCNCCOCCO 34a_100000755551_100000692535 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.71 C#CCCNCCSCCO 2230a_100011219999_100000688953 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,0,0,0,0,0|2,0,1]=3 169 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,0,0,0,0,0|2,0,1]=3 170 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,0,0,0,0,0|2,0,1]=3 171 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,0,0,0,0,0|2,0,2]=4 177 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,0,0,0,0,0|1,0,2]=3 178 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,0,0,0,0,0|3,0,1]=4 179 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,0,0,0,0,0|3,0,1]=4 180 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,0,0,0,0,0|3,0,1]=4 181 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,0,0,0,0,0|3,0,1]=4 183 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,0,0,0,0,0|3,0,1]=4 190 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,0,0,0,0,0|2,0,1]=3 195 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,0,0,0,0,0|2,0,1]=3 196 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,0,0,0,0,0|1,0,2]=3 199 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,0,0,0,0,0|1,0,2]=3 200 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,0,0,0,0,0|3,0,1]=4 201 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,0,0,0,0,0|3,0,1]=4 202 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,0,0,0,0,0|3,0,1]=4 203 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.71 C#CCCSCCOCCO 62a_100000688953_100011215305 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.71 C#CCCSCCOCCO 62a_100011215305_100000688953 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,0,0,0,0,0|3,0,1]=4 210 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,0,0,0,0,0|2,0,1]=3 211 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,0,0,0,0,0|2,0,1]=3 212 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,0,0,0,0,0|1,0,2]=3 214 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,0,0,0,0,0|1,0,2]=3 215 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,0,0,0,0,0|1,0,2]=3 216 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,0,0,0,0,0|3,0,1]=4 217 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,0,0,0,0,0|3,0,1]=4 218 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,0,0,0,0,0|3,0,1]=4 221 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,0,0,0,0,0|3,0,1]=4 222 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,0,0,0,0,0|2,0,2]=4 223 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,0,0,0,0,0|2,0,1]=3 225 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,0,0,0,0,0|2,0,1]=3 226 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,0,0,0,0,0|2,0,1]=3 227 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,0,0,0,0,0|2,0,2]=4 228 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,0,0,0,0,0|2,0,2]=4 232 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,0,0,0,0,0|2,0,2]=4 233 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,0,0,0,0,0|1,0,2]=3 234 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,0,0,0,0,0|3,0,1]=4 235 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,0,0,0,0,0|3,0,1]=4 236 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,0,0,0,0,0|3,0,1]=4 237 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.71 C#CCOCCNCCCO 2230a_100000700922_100000230001 [0,0,0,0,0,0|2,0,2]=4 240 B10R0.71 C#CCOCCNCCCO 34a_100000700922_100000230001 [0,0,0,0,0,0|2,0,2]=4 241 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,0,0,0,0,0|3,0,1]=4 242 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,0,0,0,0,0|3,0,1]=4 243 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,0,0,0,0,0|3,0,1]=4 244 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,0,0,0,0,0|3,0,1]=4 245 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,0,0,0,0,0|3,0,1]=4 246 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,0,0,0,0,0|3,0,1]=4 247 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.71 C#CCOCCOCCCO 34a_100000054580_100000230001 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.71 C#CCOCCOCCCO 7a_100000054580_100011215043 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,0,0,0,0,0|3,0,1]=4 251 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,0,0,0,0,0|3,0,1]=4 252 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,0,0,0,0,0|3,0,1]=4 253 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,0,0,0,0,0|3,0,1]=4 254 B10R0.71 C#CCOCCSCCCO 62a_100010402529_100011215043 [0,0,0,0,0,0|2,0,2]=4 255 B10R0.71 C#CCOCCSCCCO 62a_100011215043_100010402529 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,0,0,0,0,0|2,0,1]=3 257 B10R0.71 C#CCSCCCCCCF 62a_100000038162_100015922095 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,0,0,0,0,0|1,0,2]=3 259 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,0,0,0,0,0|3,0,1]=4 260 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,0,0,0,0,0|2,0,2]=4 261 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,0,0,0,0,0|2,0,2]=4 262 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,0,0,0,0,0|1,0,2]=3 263 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,0,0,0,0,0|1,0,2]=3 264 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [0,0,0,0,0,0|2,0,2]=4 265 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,0,0,0,0,0|2,0,2]=4 266 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,0,0,0,0,0|2,0,2]=4 267 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,0,0,0,0,0|2,0,2]=4 268 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,0,0,0,0,0|2,0,2]=4 269 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,0,0,0,0,0|2,0,2]=4 270 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,0,0,0,0,0|2,0,2]=4 271 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,0,0,0,0,0|2,0,2]=4 272 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,0,0,0,0,0|2,0,2]=4 273 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,0,0,0,0,0|2,0,2]=4 274 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,0,0,0,0,0|2,0,2]=4 275 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,0,0,0,0,0|2,0,2]=4 276 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,0,0,0,0,0|1,0,2]=3 277 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,0,0,0,0,0|2,0,2]=4 278 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,0,0,0,0,0|2,0,2]=4 279 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,0,0,0,0,0|2,0,2]=4 280 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,0,0,0,0,0|2,0,2]=4 281 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,0,0,0,0,0|2,0,2]=4 282 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,0,0,0,0,0|1,0,2]=3 283 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,0,0,0,0,0|1,0,2]=3 284 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [0,0,0,0,0,0|2,0,2]=4 285 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [0,0,0,0,0,0|2,0,2]=4 286 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,0,0,0,0,0|2,0,1]=3 287 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,0,0,0,0,0|2,0,1]=3 288 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,0,0,0,0,0|2,0,1]=3 289 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,0,0,0,0,0|2,0,1]=3 290 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,0,0,0,0,0|2,0,1]=3 291 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,0,0,0,0,0|2,0,1]=3 292 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,0,0,0,0,0|2,0,1]=3 293 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,0,0,0,0,0|2,0,1]=3 294 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,0,0,0,0,0|2,0,1]=3 295 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,0,0,0,0,0|2,0,1]=3 296 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,0,0,0,0,0|2,0,1]=3 297 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,0,0,0,0,0|2,0,1]=3 298 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,0,0,0,0,0|2,0,1]=3 299 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,0,0,0,0,0|2,0,1]=3 300 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,0,0,0,0,0|2,0,1]=3 301 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,0,0,0,0,0|2,0,1]=3 302 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,0,0,0,0,0|2,0,2]=4 303 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,0,0,0,0,0|2,0,2]=4 304 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,0,0,0,0,0|2,0,1]=3 305 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,0,0,0,0,0|2,0,1]=3 306 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,0,0,0,0,0|2,0,2]=4 307 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,0,0,0,0,0|2,0,2]=4 308 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,0,0,0,0,0|2,0,2]=4 309 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,0,0,0,0,0|1,0,2]=3 310 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,0,0,0,0,0|1,0,2]=3 311 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,0,0,0,0,0|2,0,2]=4 312 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,0,0,0,0,0|2,0,1]=3 313 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,0,0,0,0,0|2,0,1]=3 314 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,0,0,0,0,0|2,0,1]=3 315 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,0,0,0,0,0|2,0,2]=4 316 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,0,0,0,0,0|2,0,2]=4 317 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,0,0,0,0,0|2,0,2]=4 318 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,0,0,0,0,0|1,0,2]=3 319 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,0,0,0,0,0|1,0,2]=3 320 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,0,0,0,0,0|3,0,1]=4 321 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,0,0,0,0,0|2,0,1]=3 322 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,0,0,0,0,0|2,0,1]=3 323 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,0,0,0,0,0|2,0,2]=4 324 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,0,0,0,0,0|2,0,2]=4 325 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,0,0,0,0,0|1,0,2]=3 326 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,0,0,0,0,0|1,0,2]=3 327 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,0,0,0,0,0|3,0,1]=4 328 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,0,0,0,0,0|3,0,1]=4 329 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,0,0,0,0,0|3,0,1]=4 330 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,0,0,0,0,0|2,0,1]=3 332 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,0,0,0,0,0|2,0,1]=3 333 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,0,0,0,0,0|2,0,1]=3 334 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,0,0,0,0,0|2,0,1]=3 335 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,0,0,0,0,0|2,0,2]=4 336 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,0,0,0,0,0|2,0,2]=4 337 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,0,0,0,0,0|2,0,2]=4 338 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,0,0,0,0,0|2,0,2]=4 339 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,0,0,0,0,0|1,0,2]=3 340 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,0,0,0,0,0|1,0,2]=3 341 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,0,0,0,0,0|3,0,1]=4 342 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,0,0,0,0,0|3,0,1]=4 343 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,0,0,0,0,0|3,0,1]=4 344 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,0,0,0,0,0|3,0,1]=4 345 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,0,0,0,0,0|3,0,1]=4 346 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,0,0,0,0,0|3,0,1]=4 347 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,0,0,0,0,0|2,0,2]=4 348 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,0,0,0,0,0|2,0,1]=3 349 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,0,0,0,0,0|2,0,1]=3 350 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,0,0,0,0,0|2,0,1]=3 351 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,0,0,0,0,0|2,0,1]=3 352 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,0,0,0,0,0|2,0,2]=4 353 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,0,0,0,0,0|2,0,2]=4 354 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,0,0,0,0,0|2,0,2]=4 355 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,0,0,0,0,0|2,0,2]=4 356 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,0,0,0,0,0|2,0,2]=4 357 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,0,0,0,0,0|1,0,2]=3 358 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,0,0,0,0,0|1,0,2]=3 359 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,0,0,0,0,0|3,0,1]=4 361 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,0,0,0,0,0|3,0,1]=4 362 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,0,0,0,0,0|3,0,1]=4 364 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,0,0,0,0,0|3,0,1]=4 365 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,0,0,0,0,0|3,0,1]=4 366 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,0,0,0,0,0|2,0,1]=3 367 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,0,0,0,0,0|2,0,1]=3 368 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,0,0,0,0,0|2,0,2]=4 369 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,0,0,0,0,0|2,0,2]=4 370 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,0,0,0,0,0|1,0,2]=3 371 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,0,0,0,0,0|1,0,2]=3 372 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,0,0,0,0,0|3,0,1]=4 373 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,0,0,0,0,0|3,0,1]=4 374 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,0,0,0,0,0|3,0,1]=4 375 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,0,0,0,0,0|3,0,1]=4 376 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,0,0,0,0,0|3,0,1]=4 377 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,0,0,0,0,0|3,0,1]=4 378 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,0,0,0,0,0|2,0,1]=3 379 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,0,0,0,0,0|2,0,1]=3 380 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,0,0,0,0,0|2,0,1]=3 381 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,0,0,0,0,0|2,0,2]=4 382 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,0,0,0,0,0|2,0,2]=4 383 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,0,0,0,0,0|1,0,2]=3 384 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,0,0,0,0,0|1,0,2]=3 385 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,0,0,0,0,0|1,0,2]=3 386 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,0,0,0,0,0|1,0,2]=3 387 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,0,0,0,0,0|3,0,1]=4 389 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,0,0,0,0,0|3,0,1]=4 390 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,0,0,0,0,0|3,0,1]=4 391 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,0,0,0,0,0|3,0,1]=4 392 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,0,0,0,0,0|3,0,1]=4 393 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,0,0,0,0,0|3,0,1]=4 394 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,0,0,0,0,0|3,0,1]=4 395 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,0,0,0,0,0|3,0,1]=4 396 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,0,0,0,0,0|3,0,1]=4 397 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,0,0,0,0,0|3,0,1]=4 398 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,0,0,0,0,0|2,0,2]=4 399 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,0,0,0,0,0|2,0,1]=3 400 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,0,0,0,0,0|2,0,1]=3 401 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,0,0,0,0,0|2,0,1]=3 402 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,0,0,0,0,0|2,0,1]=3 403 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,0,0,0,0,0|2,0,2]=4 404 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,0,0,0,0,0|2,0,2]=4 405 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,0,0,0,0,0|2,0,2]=4 406 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,0,0,0,0,0|2,0,2]=4 407 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,0,0,0,0,0|2,0,2]=4 408 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,0,0,0,0,0|2,0,2]=4 409 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,0,0,0,0,0|2,0,2]=4 410 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,0,0,0,0,0|2,0,2]=4 411 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,0,0,0,0,0|1,0,2]=3 412 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,0,0,0,0,0|1,0,2]=3 413 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,0,0,0,0,0|3,0,1]=4 414 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,0,0,0,0,0|3,0,1]=4 415 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,0,0,0,0,0|3,0,1]=4 416 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,0,0,0,0,0|3,0,1]=4 417 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,0,0,0,0,0|3,0,1]=4 418 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,0,0,0,0,0|3,0,1]=4 419 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,0,0,0,0,0|3,0,1]=4 420 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,0,0,0,0,0|3,0,1]=4 421 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,0,0,0,0,0|3,0,1]=4 422 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,0,0,0,0,0|3,0,1]=4 423 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,0,0,0,0,0|3,0,1]=4 424 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,0,0,0,0,0|3,0,1]=4 425 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,0,0,0,0,0|3,0,1]=4 426 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,0,0,0,0,0|3,0,1]=4 427 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,0,0,0,0,0|2,0,1]=3 428 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,0,0,0,0,0|2,0,1]=3 429 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,0,0,0,0,0|2,0,2]=4 430 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,0,0,0,0,0|2,0,2]=4 431 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,0,0,0,0,0|1,0,2]=3 432 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,0,0,0,0,0|1,0,2]=3 433 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,0,0,0,0,0|3,0,1]=4 434 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,0,0,0,0,0|3,0,1]=4 435 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,0,0,0,0,0|3,0,1]=4 436 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,0,0,0,0,0|3,0,1]=4 437 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,0,0,0,0,0|3,0,1]=4 438 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,0,0,0,0,0|3,0,1]=4 439 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,0,0,0,0,0|2,0,1]=3 440 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,0,0,0,0,0|2,0,1]=3 441 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,0,0,0,0,0|2,0,2]=4 442 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,0,0,0,0,0|1,0,2]=3 443 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,0,0,0,0,0|1,0,2]=3 444 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,0,0,0,0,0|1,0,2]=3 445 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,0,0,0,0,0|3,0,1]=4 446 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,0,0,0,0,0|3,0,1]=4 447 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,0,0,0,0,0|3,0,1]=4 448 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,0,0,0,0,0|3,0,1]=4 449 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,0,0,0,0,0|3,0,1]=4 450 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,0,0,0,0,0|3,0,1]=4 451 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,0,0,0,0,0|3,0,1]=4 452 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,0,0,0,0,0|2,0,2]=4 453 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,0,0,0,0,0|2,0,2]=4 454 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,0,0,0,0,0|2,0,2]=4 455 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,0,0,0,0,0|3,0,1]=4 456 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,0,0,0,0,0|2,0,2]=4 457 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,0,0,0,0,0|3,0,1]=4 458 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,0,0,0,0,0|2,0,2]=4 459 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,0,0,0,0,0|2,0,2]=4 460 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,0,0,0,0,0|2,0,1]=3 461 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,0,0,0,0,0|2,0,1]=3 462 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,0,0,0,0,0|2,0,1]=3 463 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,0,0,0,0,0|2,0,2]=4 464 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,0,0,0,0,0|2,0,2]=4 465 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,0,0,0,0,0|2,0,2]=4 466 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,0,0,0,0,0|2,0,2]=4 467 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,0,0,0,0,0|2,0,2]=4 468 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,0,0,0,0,0|2,0,2]=4 469 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,0,0,0,0,0|1,0,2]=3 470 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,0,0,0,0,0|3,0,1]=4 471 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,0,0,0,0,0|3,0,1]=4 472 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,0,0,0,0,0|3,0,1]=4 473 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,0,0,0,0,0|3,0,1]=4 474 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,0,0,0,0,0|3,0,1]=4 475 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,0,0,0,0,0|3,0,1]=4 476 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,0,0,0,0,0|3,0,1]=4 477 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,0,0,0,0,0|3,0,1]=4 478 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,0,0,0,0,0|3,0,1]=4 479 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,0,0,0,0,0|3,0,1]=4 480 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,0,0,0,0,0|3,0,1]=4 481 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,0,0,0,0,0|3,0,1]=4 482 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,0,0,0,0,0|2,0,2]=4 483 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,0,0,0,0,0|3,0,1]=4 484 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,0,0,0,0,0|3,0,1]=4 485 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,0,0,0,0,0|3,0,1]=4 486 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,0,0,0,0,0|2,0,1]=3 487 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,0,0,0,0,0|2,0,1]=3 488 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,0,0,0,0,0|2,0,2]=4 489 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,0,0,0,0,0|2,0,2]=4 490 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,0,0,0,0,0|1,0,2]=3 491 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,0,0,0,0,0|1,0,2]=3 492 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,0,0,0,0,0|3,0,1]=4 493 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,0,0,0,0,0|3,0,1]=4 494 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,0,0,0,0,0|3,0,1]=4 495 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,0,0,0,0,0|3,0,1]=4 496 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,0,0,0,0,0|3,0,1]=4 497 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,0,0,0,0,0|3,0,1]=4 498 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,0,0,0,0,0|2,0,2]=4 499 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,0,0,0,0,0|2,0,2]=4 500 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,0,0,0,0,0|3,0,1]=4 501 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,0,0,0,0,0|3,0,1]=4 502 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,0,0,0,0,0|2,0,1]=3 503 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,0,0,0,0,0|2,0,1]=3 504 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,0,0,0,0,0|2,0,2]=4 505 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,0,0,0,0,0|1,0,2]=3 506 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,0,0,0,0,0|1,0,2]=3 507 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,0,0,0,0,0|1,0,2]=3 508 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,0,0,0,0,0|3,0,1]=4 509 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,0,0,0,0,0|3,0,1]=4 511 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,0,0,0,0,0|3,0,1]=4 512 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,0,0,0,0,0|3,0,1]=4 513 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,0,0,0,0,0|2,0,2]=4 515 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,0,0,0,0,0|2,0,2]=4 516 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,0,0,0,0,0|2,0,1]=3 517 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,0,0,0,0,0|2,0,1]=3 518 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,0,0,0,0,0|2,0,1]=3 519 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,0,0,0,0,0|2,0,2]=4 520 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,0,0,0,0,0|2,0,2]=4 521 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,0,0,0,0,0|2,0,2]=4 522 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,0,0,0,0,0|2,0,2]=4 523 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,0,0,0,0,0|2,0,2]=4 524 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,0,0,0,0,0|2,0,2]=4 525 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,0,0,0,0,0|1,0,2]=3 526 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,0,0,0,0,0|3,0,1]=4 527 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,0,0,0,0,0|3,0,1]=4 528 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,0,0,0,0,0|3,0,1]=4 529 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,0,0,0,0,0|3,0,1]=4 530 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,0,0,0,0,0|3,0,1]=4 531 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,0,0,0,0,0|3,0,1]=4 532 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,0,0,0,0,0|2,0,2]=4 533 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,0,0,0,0,0|2,0,2]=4 534 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,0,0,0,0,0|3,0,1]=4 535 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,0,0,0,0,0|3,0,1]=4 536 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,0,0,0,0,0|2,0,1]=3 537 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,0,0,0,0,0|2,0,1]=3 538 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,0,0,0,0,0|2,0,2]=4 539 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,0,0,0,0,0|2,0,2]=4 540 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,0,0,0,0,0|1,0,2]=3 541 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,0,0,0,0,0|1,0,2]=3 542 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,0,0,0,0,0|3,0,1]=4 543 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,0,0,0,0,0|3,0,1]=4 544 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,0,0,0,0,0|3,0,1]=4 545 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,0,0,0,0,0|3,0,1]=4 546 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,0,0,0,0,0|2,0,2]=4 547 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,0,0,0,0,0|2,0,2]=4 548 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,0,0,0,0,0|3,0,1]=4 549 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,0,0,0,0,0|3,0,1]=4 550 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,0,0,0,0,0|2,0,2]=4 551 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,0,0,0,0,0|2,0,2]=4 552 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,0,0,0,0,0|3,0,1]=4 553 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,0,0,0,0,0|2,0,2]=4 554 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,0,0,0,0,0|2,0,2]=4 555 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,0,0,0,0,0|3,0,1]=4 556 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,0,0,0,0,0|3,0,1]=4 557 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,0,0,0,0,0|3,0,1]=4 558 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,0,0,0,0,0|2,0,2]=4 559 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,0,0,0,0,0|3,0,1]=4 560 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,0,0,0,0,0|3,0,1]=4 561 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,0,0,0,0,0|2,0,2]=4 562 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,0,0,0,0,0|2,0,2]=4 563 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,0,0,0,0,0|2,0,2]=4 564 B10R0.71 CC#CCCOCCCCF 34a_100000750427_100000729493 [0,0,0,0,0,0|2,0,2]=4 565 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [0,0,0,0,0,0|1,0,2]=3 566 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,0,0,0,0,0|2,0,2]=4 567 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,0,0,0,0,0|2,0,2]=4 568 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,0,0,0,0,0|2,0,2]=4 569 B10R0.71 CC#CCNCCCCCF 2230a_100000685387_100000729378 [0,0,0,0,0,0|2,0,2]=4 570 B10R0.71 CC#CCNCCCCCF 34a_100000685387_100000729378 [0,0,0,0,0,0|2,0,2]=4 571 B10R0.71 CC#CCNCCCCCO 2230a_100000685387_100000746330 [0,0,0,0,0,0|1,0,2]=3 572 B10R0.71 CC#CCNCCCCCO 2230a_100000762737_100000748600 [0,0,0,0,0,0|1,0,2]=3 573 B10R0.71 CC#CCNCCCCCO 34a_100000685387_100000746330 [0,0,0,0,0,0|1,0,2]=3 574 B10R0.71 CC#CCNCCCCCO 34a_100000762737_100000748600 [0,0,0,0,0,0|1,0,2]=3 575 B10R0.71 CC#CCNCCOCCO 2230a_100000211614_100000748600 [0,0,0,0,0,0|2,0,2]=4 576 B10R0.71 CC#CCNCCOCCO 2230a_100000685387_100011215305 [0,0,0,0,0,0|2,0,2]=4 577 B10R0.71 CC#CCNCCOCCO 34a_100000211614_100000748600 [0,0,0,0,0,0|2,0,2]=4 578 B10R0.71 CC#CCNCCOCCO 34a_100000685387_100000692535 [0,0,0,0,0,0|2,0,2]=4 579 B10R0.71 CC#CCNCCSCCO 2230a_100011219999_100000748600 [0,0,0,0,0,0|2,0,2]=4 580 B10R0.71 CC#CCOCCCCCBr 34a_100000746331_100000748600 [0,0,0,0,0,0|2,0,2]=4 581 B10R0.71 CC#CCOCCCCCBr 7a_100000746331_100000748600 [0,0,0,0,0,0|2,0,2]=4 582 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,0,0,0,0,0|2,0,2]=4 583 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,0,0,0,0,0|2,0,2]=4 584 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,0,0,0,0,0|2,0,2]=4 585 B10R0.71 CC#CCOCCCCCCl 34a_100000746330_100000748600 [0,0,0,0,0,0|2,0,2]=4 586 B10R0.71 CC#CCOCCCCCCl 7a_100000746330_100000748600 [0,0,0,0,0,0|2,0,2]=4 587 B10R0.71 CC#CCOCCCCCF 34a_100000761923_100000729378 [0,0,0,0,0,0|2,0,2]=4 588 B10R0.71 CC#CCOCCCCCI 34a_200012148887_100000748600 [0,0,0,0,0,0|2,0,2]=4 589 B10R0.71 CC#CCOCCCCCI 7a_200012148887_100000748600 [0,0,0,0,0,0|2,0,2]=4 590 B10R0.71 CC#CCOCCCCCN 34a_100000762737_100000748600 [0,0,0,0,0,0|2,0,2]=4 591 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [0,0,0,0,0,0|1,0,2]=3 592 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [0,0,0,0,0,0|2,0,2]=4 593 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,0,0,0,0,0|2,0,2]=4 594 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,0,0,0,0,0|2,0,2]=4 595 B10R0.71 CC#CCSCCCCCF 62a_100000729378_100000748600 [0,0,0,0,0,0|2,0,2]=4 596 B10R0.71 CC#CCSCCCCCF 62a_100000748600_100000729378 [0,0,0,0,0,0|2,0,2]=4 597 B10R0.71 CC#CCSCCCCCO 62a_100000746330_100000748600 [0,0,0,0,0,0|1,0,2]=3 598 B10R0.71 CC#CCSCCCCCO 62a_100000748600_100000746330 [0,0,0,0,0,0|1,0,2]=3 599 B10R0.71 CC#CCSCCOCCO 62a_100000748600_100011215305 [0,0,0,0,0,0|2,0,2]=4 600 B10R0.71 CC#CCSCCOCCO 62a_100011215305_100000748600 [0,0,0,0,0,0|2,0,2]=4 601 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,0,0,0,0,0|2,0,2]=4 602 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,0,0,0,0,0|2,0,2]=4 603 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [0,0,0,0,0,0|2,0,2]=4 604 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [0,0,0,0,0,0|2,0,2]=4 605 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,0,0,0,0,0|1,0,2]=3 606 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,0,0,0,0,0|1,0,2]=3 607 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,0,0,0,0,0|2,0,2]=4 608 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,0,0,0,0,0|2,0,2]=4 609 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,0,0,0,0,0|2,0,2]=4 610 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,0,0,0,0,0|2,0,2]=4 611 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,0,0,0,0,0|2,0,2]=4 612 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,0,0,0,0,0|2,0,2]=4 613 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,0,0,0,0,0|2,0,2]=4 614 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,0,0,0,0,0|2,0,2]=4 615 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,0,0,0,0,0|2,0,2]=4 616 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,0,0,0,0,0|2,0,2]=4 617 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,0,0,0,0,0|2,0,2]=4 618 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,0,0,0,0,0|2,0,2]=4 619 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,0,0,0,0,0|2,0,2]=4 620 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,0,0,0,0,0|2,0,2]=4 621 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,0,0,0,0,0|2,0,2]=4 622 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,0,0,0,0,0|2,0,2]=4 623 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,0,0,0,0,0|2,0,2]=4 624 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,0,0,0,0,0|2,0,2]=4 625 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,0,0,0,0,0|2,0,2]=4 626 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,0,0,0,0,0|2,0,2]=4 627 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,0,0,0,0,0|2,0,2]=4 628 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,0,0,0,0,0|2,0,2]=4 629 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,0,0,0,0,0|2,0,2]=4 630 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,0,0,0,0,0|1,0,2]=3 631 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,0,0,0,0,0|1,0,2]=3 632 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,0,0,0,0,0|2,0,2]=4 633 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,0,0,0,0,0|2,0,2]=4 634 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,0,0,0,0,0|2,0,2]=4 635 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,0,0,0,0,0|2,0,2]=4 636 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,0,0,0,0,0|1,0,2]=3 637 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,0,0,0,0,0|1,0,2]=3 638 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,0,0,0,0,0|2,0,2]=4 639 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,0,0,0,0,0|1,0,2]=3 640 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,0,0,0,0,0|1,0,2]=3 641 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,0,0,0,0,0|2,0,2]=4 642 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,0,0,0,0,0|2,0,2]=4 643 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,0,0,0,0,0|2,0,2]=4 644 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,0,0,0,0,0|2,0,2]=4 645 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,0,0,0,0,0|2,0,2]=4 646 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,0,0,0,0,0|2,0,2]=4 647 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,0,0,0,0,0|2,0,2]=4 648 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,0,0,0,0,0|2,0,2]=4 649 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,0,0,0,0,0|2,0,2]=4 650 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,0,0,0,0,0|2,0,2]=4 651 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,0,0,0,0,0|2,0,2]=4 652 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,0,0,0,0,0|1,0,2]=3 653 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,0,0,0,0,0|2,0,2]=4 654 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,0,0,0,0,0|2,0,2]=4 655 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,0,0,0,0,0|2,0,2]=4 656 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,0,0,0,0,0|2,0,2]=4 657 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,0,0,0,0,0|1,0,2]=3 658 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,0,0,0,0,0|1,0,2]=3 659 B10R0.71 CC=C=CCCOCCCO 34a_100011020354_100000230001 [0,0,0,0,0,0|1,0,3]=4 660 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,0,0,0,0,0|2,0,2]=4 661 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,0,0,0,0,0|2,0,2]=4 662 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,0,0,0,0,0|1,0,2]=3 663 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,0,0,0,0,0|2,0,2]=4 664 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,0,0,0,0,0|1,0,2]=3 665 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,0,0,0,0,0|1,0,2]=3 666 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [0,0,0,0,0,0|2,0,2]=4 667 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [0,0,0,0,0,0|2,0,2]=4 668 B10R0.71 CC=CCNCCSCCO 2230a_100011219999_100000070051 [0,0,0,0,0,0|2,0,2]=4 669 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,0,0,0,0,0|2,0,2]=4 670 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,0,0,0,0,0|2,0,2]=4 671 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,0,0,0,0,0|2,0,2]=4 672 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,0,0,0,0,0|2,0,2]=4 673 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,0,0,0,0,0|2,0,2]=4 674 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,0,0,0,0,0|2,0,2]=4 675 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,0,0,0,0,0|2,0,2]=4 676 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,0,0,0,0,0|2,0,2]=4 677 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,0,0,0,0,0|2,0,2]=4 678 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,0,0,0,0,0|2,0,2]=4 679 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,0,0,0,0,0|2,0,2]=4 680 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,0,0,0,0,0|2,0,2]=4 681 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,0,0,0,0,0|2,0,2]=4 682 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,0,0,0,0,0|1,0,2]=3 683 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,0,0,0,0,0|1,0,2]=3 684 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [0,0,0,0,0,0|2,0,2]=4 685 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [0,0,0,0,0,0|2,0,2]=4 686 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [0,0,0,0,0,0|2,0,2]=4 687 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [0,0,0,0,0,0|2,0,2]=4 688 B10R0.71 CCC#CCCOCCCF 34a_100000036655_100011934791 [0,0,0,0,0,0|2,0,2]=4 689 B10R0.71 CCC#CCCOCCCF 7a_100000036655_100011934791 [0,0,0,0,0,0|2,0,2]=4 690 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,0,0,0,0,0|1,0,2]=3 691 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,0,0,0,0,0|1,0,2]=3 692 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [0,0,0,0,0,0|2,0,2]=4 693 B10R0.71 CCC#CCNCCCCO 2230a_100000750430_100009813939 [0,0,0,0,0,0|1,0,2]=3 694 B10R0.71 CCC#CCNCCCCO 34a_100000750430_100009813939 [0,0,0,0,0,0|1,0,2]=3 695 B10R0.71 CCC#CCOCCCCBr 34a_100011216708_100009813939 [0,0,0,0,0,0|2,0,2]=4 696 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [0,0,0,0,0,0|2,0,2]=4 697 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [0,0,0,0,0,0|2,0,2]=4 698 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [0,0,0,0,0,0|2,0,2]=4 699 B10R0.71 CCC#CCOCCCCCl 34a_100000210776_100009813939 [0,0,0,0,0,0|2,0,2]=4 700 B10R0.71 CCC#CCOCCCCCl 7a_100000210776_100009813939 [0,0,0,0,0,0|2,0,2]=4 701 B10R0.71 CCC#CCOCCCCF 34a_100000032950_100000729493 [0,0,0,0,0,0|2,0,2]=4 702 B10R0.71 CCC#CCOCCCCF 34a_100011995726_100009813939 [0,0,0,0,0,0|2,0,2]=4 703 B10R0.71 CCC#CCOCCCCF 7a_100011995726_100009813939 [0,0,0,0,0,0|2,0,2]=4 704 B10R0.71 CCC#CCOCCCCI 34a_200012148704_100009813939 [0,0,0,0,0,0|2,0,2]=4 705 B10R0.71 CCC#CCOCCCCN 34a_100000750430_100009813939 [0,0,0,0,0,0|2,0,2]=4 706 B10R0.71 CCC#CCOCCCCO 34a_100000032950_100011216708 [0,0,0,0,0,0|1,0,2]=3 707 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [0,0,0,0,0,0|2,0,2]=4 708 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [0,0,0,0,0,0|2,0,2]=4 709 B10R0.71 CCC#CCSCCCCF 62a_100000729493_100009813939 [0,0,0,0,0,0|2,0,2]=4 710 B10R0.71 CCC#CCSCCCCF 62a_100009813939_100000729493 [0,0,0,0,0,0|2,0,2]=4 711 B10R0.71 CCC#CCSCCCCO 62a_100000210776_100009813939 [0,0,0,0,0,0|1,0,2]=3 712 B10R0.71 CCC#CCSCCCCO 62a_100009813939_100000210776 [0,0,0,0,0,0|1,0,2]=3 713 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,0,0,0,0,0|2,0,2]=4 714 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,0,0,0,0,0|2,0,2]=4 715 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,0,0,0,0,0|2,0,2]=4 716 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,0,0,0,0,0|2,0,2]=4 717 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,0,0,0,0,0|1,0,2]=3 718 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,0,0,0,0,0|1,0,2]=3 719 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [0,0,0,0,0,0|2,0,2]=4 720 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [0,0,0,0,0,0|2,0,2]=4 721 B10R0.71 CCCC#CCCOCCF 34a_100000042726_100011217306 [0,0,0,0,0,0|2,0,2]=4 722 B10R0.71 CCCC#CCCOCCF 7a_100000042726_100011217306 [0,0,0,0,0,0|2,0,2]=4 723 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,0,0,0,0,0|1,0,2]=3 724 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,0,0,0,0,0|1,0,2]=3 725 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [0,0,0,0,0,0|2,0,2]=4 726 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [0,0,0,0,0,0|2,0,2]=4 727 B10R0.71 CCCC#CCOCCCF 34a_100000034806_100011934791 [0,0,0,0,0,0|2,0,2]=4 728 B10R0.71 CCCC#CCOCCCF 7a_100000034806_100011934791 [0,0,0,0,0,0|2,0,2]=4 729 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,0,0,0,0,0|1,0,2]=3 730 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,0,0,0,0,0|1,0,2]=3 731 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,0,0,0,0,0|2,0,2]=4 732 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,0,0,0,0,0|2,0,2]=4 733 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [0,0,0,0,0,0|2,0,2]=4 734 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [0,0,0,0,0,0|2,0,2]=4 735 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,0,0,0,0,0|1,0,2]=3 736 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,0,0,0,0,0|1,0,2]=3 737 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,0,0,0,0,0|2,0,2]=4 738 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,0,0,0,0,0|2,0,2]=4 739 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,0,0,0,0,0|2,0,2]=4 740 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,0,0,0,0,0|2,0,2]=4 741 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,0,0,0,0,0|3,0,1]=4 742 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,0,0,0,0,0|2,0,2]=4 743 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,0,0,0,0,0|2,0,2]=4 744 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,0,0,0,0,0|2,0,2]=4 745 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,0,0,0,0,0|2,0,2]=4 746 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,0,0,0,0,0|2,0,2]=4 747 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,0,0,0,0,0|2,0,2]=4 748 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,0,0,0,0,0|2,0,2]=4 749 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,0,0,0,0,0|2,0,2]=4 750 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [0,0,0,0,0,0|2,0,2]=4 751 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [0,0,0,0,0,0|2,0,2]=4 752 B10R0.71 CCCCC#CCCOCF 34a_100000037610_100015361967 [0,0,0,0,0,0|2,0,2]=4 753 B10R0.71 CCCCC#CCCOCF 7a_100000037610_100015361967 [0,0,0,0,0,0|2,0,2]=4 754 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [0,0,0,0,0,0|2,0,2]=4 755 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [0,0,0,0,0,0|2,0,2]=4 756 B10R0.71 CCCCC#CCOCCF 34a_200000034558_100011217306 [0,0,0,0,0,0|2,0,2]=4 757 B10R0.71 CCCCC#CCOCCF 7a_200000034558_100011217306 [0,0,0,0,0,0|2,0,2]=4 758 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,0,0,0,0,0|1,0,2]=3 759 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,0,0,0,0,0|1,0,2]=3 760 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,0,0,0,0,0|2,0,2]=4 761 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,0,0,0,0,0|2,0,2]=4 762 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,0,0,0,0,0|2,0,2]=4 763 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,0,0,0,0,0|2,0,2]=4 764 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 765 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 766 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 767 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 768 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [0,0,0,0,0,0|3,0,1]=4 769 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,0,0,0,0,0|2,0,2]=4 770 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,0,0,0,0,0|2,0,2]=4 771 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,0,0,0,0,0|2,0,2]=4 772 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,0,0,0,0,0|2,0,2]=4 773 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [0,0,0,0,0,0|2,0,2]=4 774 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,0,0,0,0,0|2,0,2]=4 775 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,0,0,0,0,0|2,0,2]=4 776 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,0,0,0,0,0|2,0,2]=4 777 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,0,0,0,0,0|2,0,2]=4 778 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,0,0,0,0,0|2,0,2]=4 779 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [0,0,0,0,0,0|2,0,2]=4 780 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [0,0,0,0,0,0|2,0,2]=4 781 B10R0.71 CCCCCC#CCSCF 62a_100009816472_100015361967 [0,0,0,0,0,0|2,0,2]=4 782 B10R0.71 CCCCCC#CCSCF 62a_100015361967_100009816472 [0,0,0,0,0,0|2,0,2]=4 783 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 784 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 785 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 786 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 787 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,0,0,0,0,0|3,0,1]=4 788 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,0,0,0,0,0|2,0,1]=3 789 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,0,0,0,0,0|2,0,2]=4 790 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,0,0,0,0,0|2,0,2]=4 791 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,0,0,0,0,0|2,0,2]=4 792 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,0,0,0,0,0|2,0,2]=4 793 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,0,0,0,0,0|3,0,1]=4 794 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,0,0,0,0,0|2,0,0]=2 795 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,0,0,0,0,0|2,0,0]=2 796 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,0,0,0,0,0|2,0,0]=2 797 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,0,0,0,0,0|2,0,0]=2 798 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,0,0,0,0,0|2,0,0]=2 799 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,0,0,0,0,0|2,0,0]=2 800 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,0,0,0,0,0|2,0,0]=2 801 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,0,0,0,0,0|2,0,0]=2 802 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,0,0,0,0,0|2,0,0]=2 803 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,0,0,0,0,0|2,0,0]=2 804 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,0,0,0,0,0|2,0,0]=2 805 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,0,0,0,0,0|2,0,0]=2 806 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,0,0,0,0,0|2,0,0]=2 807 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,0,0,0,0,0|2,0,0]=2 808 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,0,0,0,0,0|2,0,0]=2 809 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,0,0,0,0,0|2,0,0]=2 810 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,0,0,0,0,0|2,0,0]=2 811 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,0,0,0,0,0|2,0,0]=2 812 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,0,0,0,0,0|2,0,0]=2 813 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,0,0,0,0,0|2,0,0]=2 814 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,0,0,0,0,0|2,0,0]=2 815 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,0,0,0,0,0|2,0,0]=2 816 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,0,0,0,0,0|2,0,0]=2 817 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,0,0,0,0,0|2,0,0]=2 818 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,0,0,0,0,0|2,0,0]=2 819 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,0,0,0,0,0|2,0,0]=2 820 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,0,0,0,0,0|2,0,0]=2 821 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,0,0,0,0,0|2,0,1]=3 822 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,0,0,0,0,0|1,0,2]=3 823 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,0,0,0,0,0|2,0,0]=2 824 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,0,0,0,0,0|2,0,0]=2 825 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,0,0,0,0,0|2,0,0]=2 826 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,0,0,0,0,0|1,0,0]=1 827 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,0,0,0,0,0|1,0,0]=1 828 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,0,0,0,0,0|1,0,0]=1 829 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,0,0,0,0,0|3,0,0]=3 830 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,0,0,0,0,0|3,0,0]=3 831 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,0,0,0,0,0|2,0,1]=3 832 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,0,0,0,0,0|1,0,2]=3 833 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,0,0,0,0,0|1,0,2]=3 834 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,0,0,0,0,0|2,0,0]=2 835 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,0,0,0,0,0|2,0,0]=2 836 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,0,0,0,0,0|2,0,0]=2 837 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,0,0,0,0,0|2,0,0]=2 838 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,0,0,0,0,0|2,0,0]=2 839 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,0,0,0,0,0|2,0,0]=2 840 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,0,0,0,0,0|2,0,0]=2 841 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,0,0,0,0,0|1,0,0]=1 842 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,0,0,0,0,0|1,0,0]=1 843 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,0,0,0,0,0|3,0,0]=3 844 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,0,0,0,0,0|2,0,1]=3 845 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,0,0,0,0,0|2,0,1]=3 846 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,0,0,0,0,0|1,0,2]=3 847 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,0,0,0,0,0|1,0,2]=3 848 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,0,0,0,0,0|2,0,0]=2 849 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,0,0,0,0,0|2,0,0]=2 850 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,0,0,0,0,0|2,0,0]=2 851 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,0,0,0,0,0|2,0,0]=2 852 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,0,0,0,0,0|1,0,0]=1 853 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,0,0,0,0,0|1,0,0]=1 854 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,0,0,0,0,0|3,0,0]=3 855 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,0,0,0,0,0|3,0,0]=3 856 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,0,0,0,0,0|3,0,0]=3 857 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,0,0,0,0,0|3,0,0]=3 858 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,0,0,0,0,0|2,0,1]=3 859 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,0,0,0,0,0|2,0,0]=2 860 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,0,0,0,0,0|2,0,0]=2 861 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,0,0,0,0,0|2,0,0]=2 862 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,0,0,0,0,0|2,0,0]=2 863 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,0,0,0,0,0|2,0,0]=2 864 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,0,0,0,0,0|2,0,0]=2 865 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,0,0,0,0,0|1,0,0]=1 866 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,0,0,0,0,0|3,0,0]=3 867 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,0,0,0,0,0|3,0,0]=3 868 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,0,0,0,0,0|3,0,0]=3 869 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,0,0,0,0,0|3,0,0]=3 870 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,0,0,0,0,0|2,0,1]=3 871 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,0,0,0,0,0|2,0,0]=2 872 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,0,0,0,0,0|2,0,0]=2 873 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,0,0,0,0,0|2,0,0]=2 874 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,0,0,0,0,0|2,0,0]=2 875 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,0,0,0,0,0|2,0,0]=2 876 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,0,0,0,0,0|2,0,0]=2 877 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,0,0,0,0,0|2,0,0]=2 878 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,0,0,0,0,0|2,0,0]=2 879 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,0,0,0,0,0|2,0,0]=2 880 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,0,0,0,0,0|2,0,0]=2 881 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,0,0,0,0,0|1,0,0]=1 882 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,0,0,0,0,0|1,0,0]=1 883 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,0,0,0,0,0|3,0,0]=3 884 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,0,0,0,0,0|3,0,0]=3 885 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,0,0,0,0,0|3,0,0]=3 886 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,0,0,0,0,0|3,0,0]=3 887 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,0,0,0,0,0|3,0,0]=3 888 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,0,0,0,0,0|3,0,0]=3 889 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,0,0,0,0,0|3,0,0]=3 890 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,0,0,0,0,0|3,0,0]=3 891 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,0,0,0,0,0|3,0,0]=3 892 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,0,0,0,0,0|3,0,0]=3 893 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,0,0,0,0,0|3,0,0]=3 894 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,0,0,0,0,0|3,0,0]=3 895 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,0,0,0,0,0|2,0,1]=3 896 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,0,0,0,0,0|2,0,1]=3 897 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,0,0,0,0,0|2,0,0]=2 898 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,0,0,0,0,0|2,0,0]=2 899 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,0,0,0,0,0|2,0,0]=2 900 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,0,0,0,0,0|2,0,0]=2 901 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,0,0,0,0,0|1,0,0]=1 902 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,0,0,0,0,0|1,0,0]=1 903 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,0,0,0,0,0|3,0,0]=3 904 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,0,0,0,0,0|3,0,0]=3 905 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,0,0,0,0,0|3,0,0]=3 906 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,0,0,0,0,0|3,0,0]=3 907 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,0,0,0,0,0|3,0,0]=3 908 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,0,0,0,0,0|3,0,0]=3 909 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,0,0,0,0,0|3,0,1]=4 910 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,0,0,0,0,0|3,0,1]=4 911 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,0,0,0,0,0|1,0,2]=3 912 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,0,0,0,0,0|2,0,1]=3 913 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,0,0,0,0,0|1,0,2]=3 914 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,0,0,0,0,0|2,0,0]=2 915 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,0,0,0,0,0|2,0,0]=2 916 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,0,0,0,0,0|1,0,0]=1 917 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,0,0,0,0,0|1,0,0]=1 918 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,0,0,0,0,0|1,0,0]=1 919 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,0,0,0,0,0|3,0,0]=3 920 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,0,0,0,0,0|3,0,0]=3 921 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,0,0,0,0,0|3,0,0]=3 922 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,0,0,0,0,0|3,0,0]=3 923 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,0,0,0,0,0|3,0,0]=3 924 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,0,0,0,0,0|3,0,0]=3 925 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,0,0,0,0,0|3,0,0]=3 926 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,0,0,0,0,0|3,0,0]=3 927 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,0,0,0,0,0|3,0,0]=3 928 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,0,0,0,0,0|3,0,0]=3 929 B10R0.71 CCCCCOCC#CCCl 34a_200000047223_100000718602 [0,0,0,0,0,0|2,0,2]=4 930 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,0,0,0,0,0|1,0,2]=3 931 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,0,0,0,0,0|1,0,2]=3 932 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,0,0,0,0,0|2,0,1]=3 933 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,0,0,0,0,0|1,0,2]=3 934 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,0,0,0,0,0|2,0,0]=2 935 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,0,0,0,0,0|2,0,0]=2 936 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,0,0,0,0,0|2,0,0]=2 937 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,0,0,0,0,0|2,0,0]=2 938 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,0,0,0,0,0|2,0,0]=2 939 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,0,0,0,0,0|2,0,0]=2 940 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,0,0,0,0,0|2,0,0]=2 941 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,0,0,0,0,0|2,0,0]=2 942 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,0,0,0,0,0|2,0,0]=2 943 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,0,0,0,0,0|2,0,0]=2 944 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,0,0,0,0,0|2,0,0]=2 945 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,0,0,0,0,0|1,0,0]=1 946 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,0,0,0,0,0|1,0,0]=1 947 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,0,0,0,0,0|3,0,0]=3 948 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,0,0,0,0,0|3,0,0]=3 949 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,0,0,0,0,0|3,0,0]=3 950 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,0,0,0,0,0|3,0,0]=3 951 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,0,0,0,0,0|3,0,0]=3 952 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,0,0,0,0,0|3,0,0]=3 953 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,0,0,0,0,0|3,0,0]=3 954 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,0,0,0,0,0|3,0,0]=3 955 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,0,0,0,0,0|3,0,0]=3 956 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,0,0,0,0,0|3,0,0]=3 957 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,0,0,0,0,0|3,0,0]=3 958 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,0,0,0,0,0|3,0,0]=3 959 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,0,0,0,0,0|3,0,0]=3 960 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,0,0,0,0,0|3,0,0]=3 961 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,0,0,0,0,0|3,0,0]=3 962 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,0,0,0,0,0|3,0,0]=3 963 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,0,0,0,0,0|3,0,0]=3 964 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,0,0,0,0,0|3,0,0]=3 965 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,0,0,0,0,0|1,0,2]=3 966 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,0,0,0,0,0|1,0,2]=3 967 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,0,0,0,0,0|2,0,1]=3 968 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,0,0,0,0,0|2,0,1]=3 969 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,0,0,0,0,0|1,0,2]=3 970 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,0,0,0,0,0|1,0,2]=3 971 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,0,0,0,0,0|2,0,0]=2 972 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,0,0,0,0,0|2,0,0]=2 973 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,0,0,0,0,0|2,0,0]=2 974 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,0,0,0,0,0|1,0,0]=1 975 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,0,0,0,0,0|1,0,0]=1 976 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,0,0,0,0,0|3,0,0]=3 977 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,0,0,0,0,0|3,0,0]=3 978 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,0,0,0,0,0|3,0,0]=3 979 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,0,0,0,0,0|3,0,0]=3 980 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,0,0,0,0,0|3,0,1]=4 981 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,0,0,0,0,0|3,0,1]=4 982 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,0,0,0,0,0|3,0,0]=3 983 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,0,0,0,0,0|3,0,0]=3 984 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,0,0,0,0,0|2,0,1]=3 985 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,0,0,0,0,0|2,0,1]=3 986 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,0,0,0,0,0|1,0,2]=3 987 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,0,0,0,0,0|1,0,2]=3 988 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,0,0,0,0,0|2,0,0]=2 989 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,0,0,0,0,0|2,0,0]=2 990 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,0,0,0,0,0|1,0,0]=1 991 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,0,0,0,0,0|1,0,0]=1 992 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,0,0,0,0,0|1,0,0]=1 993 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,0,0,0,0,0|1,0,0]=1 994 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,0,0,0,0,0|3,0,0]=3 995 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,0,0,0,0,0|3,0,0]=3 996 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,0,0,0,0,0|3,0,0]=3 997 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,0,0,0,0,0|3,0,0]=3 998 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,0,0,0,0,0|4,0,0]=4 999 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,0,0,0,0,0|3,0,0]=3 1000 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,0,0,0,0,0|3,0,0]=3 1001 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,0,0,0,0,0|3,0,0]=3 1002 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,0,0,0,0,0|3,0,0]=3 1003 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,0,0,0,0,0|3,0,1]=4 1004 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,0,0,0,0,0|3,0,1]=4 1005 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,0,0,0,0,0|3,0,0]=3 1006 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,0,0,0,0,0|3,0,0]=3 1007 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,0,0,0,0,0|3,0,0]=3 1008 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,0,0,0,0,0|3,0,0]=3 1009 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,0,0,0,0,0|2,0,0]=2 1010 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,0,0,0,0,0|2,0,0]=2 1011 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,0,0,0,0,0|2,0,0]=2 1012 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,0,0,0,0,0|2,0,0]=2 1013 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,0,0,0,0,0|3,0,0]=3 1014 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,0,0,0,0,0|2,0,0]=2 1015 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,0,0,0,0,0|3,0,0]=3 1016 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,0,0,0,0,0|4,0,0]=4 1017 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,0,0,0,0,0|2,0,1]=3 1018 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,0,0,0,0,0|1,0,2]=3 1019 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,0,0,0,0,0|2,0,0]=2 1020 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,0,0,0,0,0|2,0,0]=2 1021 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,0,0,0,0,0|2,0,0]=2 1022 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,0,0,0,0,0|2,0,0]=2 1023 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,0,0,0,0,0|2,0,0]=2 1024 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,0,0,0,0,0|2,0,0]=2 1025 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,0,0,0,0,0|2,0,0]=2 1026 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,0,0,0,0,0|2,0,0]=2 1027 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,0,0,0,0,0|2,0,0]=2 1028 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,0,0,0,0,0|1,0,0]=1 1029 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,0,0,0,0,0|1,0,0]=1 1030 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,0,0,0,0,0|3,0,0]=3 1031 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,0,0,0,0,0|3,0,0]=3 1032 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,0,0,0,0,0|3,0,0]=3 1033 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,0,0,0,0,0|3,0,0]=3 1034 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,0,0,0,0,0|3,0,0]=3 1035 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,0,0,0,0,0|3,0,0]=3 1036 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,0,0,0,0,0|3,0,0]=3 1037 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,0,0,0,0,0|3,0,0]=3 1038 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,0,0,0,0,0|3,0,0]=3 1039 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,0,0,0,0,0|3,0,0]=3 1040 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,0,0,0,0,0|3,0,0]=3 1041 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,0,0,0,0,0|3,0,0]=3 1042 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,0,0,0,0,0|3,0,0]=3 1043 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,0,0,0,0,0|3,0,0]=3 1044 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,0,0,0,0,0|3,0,0]=3 1045 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,0,0,0,0,0|3,0,0]=3 1046 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,0,0,0,0,0|3,0,0]=3 1047 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,0,0,0,0,0|3,0,0]=3 1048 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,0,0,0,0,0|3,0,0]=3 1049 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,0,0,0,0,0|3,0,0]=3 1050 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,0,0,0,0,0|3,0,0]=3 1051 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,0,0,0,0,0|3,0,0]=3 1052 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,0,0,0,0,0|3,0,0]=3 1053 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,0,0,0,0,0|2,0,0]=2 1054 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,0,0,0,0,0|2,0,0]=2 1055 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,0,0,0,0,0|3,0,1]=4 1056 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,0,0,0,0,0|3,0,1]=4 1057 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,0,0,0,0,0|2,0,2]=4 1058 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,0,0,0,0,0|2,0,2]=4 1059 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,0,0,0,0,0|3,0,0]=3 1060 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,0,0,0,0,0|3,0,0]=3 1061 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,0,0,0,0,0|3,0,0]=3 1062 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,0,0,0,0,0|3,0,0]=3 1063 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,0,0,0,0,0|3,0,0]=3 1064 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,0,0,0,0,0|3,0,0]=3 1065 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,0,0,0,0,0|3,0,0]=3 1066 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,0,0,0,0,0|3,0,0]=3 1067 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,0,0,0,0,0|3,0,0]=3 1068 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,0,0,0,0,0|3,0,0]=3 1069 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,0,0,0,0,0|3,0,0]=3 1070 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,0,0,0,0,0|3,0,0]=3 1071 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,0,0,0,0,0|3,0,0]=3 1072 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,0,0,0,0,0|3,0,0]=3 1073 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,0,0,0,0,0|3,0,0]=3 1074 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,0,0,0,0,0|3,0,0]=3 1075 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,0,0,0,0,0|3,0,0]=3 1076 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,0,0,0,0,0|3,0,0]=3 1077 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,0,0,0,0,0|3,0,0]=3 1078 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,0,0,0,0,0|3,0,0]=3 1079 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,0,0,0,0,0|2,0,0]=2 1080 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,0,0,0,0,0|2,0,0]=2 1081 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,0,0,0,0,0|2,0,0]=2 1082 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,0,0,0,0,0|2,0,0]=2 1083 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,0,0,0,0,0|4,0,0]=4 1084 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,0,0,0,0,0|3,0,1]=4 1085 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,0,0,0,0,0|3,0,1]=4 1086 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,0,0,0,0,0|2,0,2]=4 1087 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,0,0,0,0,0|2,0,2]=4 1088 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,0,0,0,0,0|3,0,0]=3 1089 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,0,0,0,0,0|3,0,0]=3 1090 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,0,0,0,0,0|3,0,0]=3 1091 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,0,0,0,0,0|3,0,0]=3 1092 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,0,0,0,0,0|3,0,0]=3 1093 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,0,0,0,0,0|3,0,0]=3 1094 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,0,0,0,0,0|2,0,0]=2 1095 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,0,0,0,0,0|2,0,0]=2 1096 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,0,0,0,0,0|4,0,0]=4 1097 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,0,0,0,0,0|4,0,0]=4 1098 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,0,0,0,0,0|4,0,0]=4 1099 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,0,0,0,0,0|4,0,0]=4 1100 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,0,0,0,0,0|3,0,0]=3 1101 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,0,0,0,0,0|3,0,0]=3 1102 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,0,0,0,0,0|4,0,0]=4 1103 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,0,0,0,0,0|4,0,0]=4 1104 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,0,0,0,0,0|3,0,0]=3 1105 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,0,0,0,0,0|3,0,0]=3 1106 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,0,0,0,0,0|3,0,0]=3 1107 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,0,0,0,0,0|3,0,0]=3 1108 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,0,0,0,0,0|3,0,0]=3 1109 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,0,0,0,0,0|4,0,0]=4 1110 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,0,0,0,0,0|4,0,0]=4 1111 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,0,0,0,0,0|4,0,0]=4 1112 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,0,0,0,0,0|3,0,1]=4 1113 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,0,0,0,0,0|3,0,1]=4 1114 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,0,0,0,0,0|3,0,0]=3 1115 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,0,0,0,0,0|3,0,0]=3 1116 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,0,0,0,0,0|3,0,0]=3 1117 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,0,0,0,0,0|3,0,0]=3 1118 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,0,0,0,0,0|2,0,0]=2 1119 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,0,0,0,0,0|2,0,0]=2 1120 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,0,0,0,0,0|4,0,0]=4 1121 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,0,0,0,0,0|4,0,0]=4 1122 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,0,0,0,0,0|4,0,0]=4 1123 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,0,0,0,0,0|4,0,0]=4 1124 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [0,0,0,0,0,0|4,0,0]=4 1125 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [0,0,0,0,0,0|4,0,0]=4 1126 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,0,0,0,0,0|2,0,1]=3 1127 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,0,0,0,0,0|2,0,1]=3 1128 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,0,0,0,0,0|1,0,2]=3 1129 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,0,0,0,0,0|1,0,2]=3 1130 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,0,0,0,0,0|2,0,0]=2 1131 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,0,0,0,0,0|2,0,0]=2 1132 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,0,0,0,0,0|1,0,0]=1 1133 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,0,0,0,0,0|1,0,0]=1 1134 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,0,0,0,0,0|3,0,0]=3 1135 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,0,0,0,0,0|3,0,0]=3 1136 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,0,0,0,0,0|3,0,0]=3 1137 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,0,0,0,0,0|3,0,0]=3 1138 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,0,0,0,0,0|3,0,1]=4 1139 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,0,0,0,0,0|2,0,2]=4 1140 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,0,0,0,0,0|3,0,0]=3 1141 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,0,0,0,0,0|3,0,0]=3 1142 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,0,0,0,0,0|2,0,0]=2 1143 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,0,0,0,0,0|4,0,0]=4 1144 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,0,0,0,0,0|4,0,0]=4 1145 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,0,0,0,0,0|3,0,1]=4 1146 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,0,0,0,0,0|3,0,1]=4 1147 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,0,0,0,0,0|3,0,1]=4 1148 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,0,0,0,0,0|2,0,2]=4 1149 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,0,0,0,0,0|2,0,2]=4 1150 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,0,0,0,0,0|3,0,0]=3 1151 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,0,0,0,0,0|3,0,0]=3 1152 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,0,0,0,0,0|3,0,0]=3 1153 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,0,0,0,0,0|3,0,0]=3 1154 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,0,0,0,0,0|3,0,0]=3 1155 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,0,0,0,0,0|3,0,0]=3 1156 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,0,0,0,0,0|2,0,0]=2 1157 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,0,0,0,0,0|2,0,0]=2 1158 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,0,0,0,0,0|2,0,0]=2 1159 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,0,0,0,0,0|2,0,0]=2 1160 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,0,0,0,0,0|4,0,0]=4 1161 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,0,0,0,0,0|4,0,0]=4 1162 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,0,0,0,0,0|4,0,0]=4 1163 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,0,0,0,0,0|1,0,0]=1 1164 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,0,0,0,0,0|1,0,0]=1 1165 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,0,0,0,0,0|3,0,0]=3 1166 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,0,0,0,0,0|3,0,0]=3 1167 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,0,0,0,0,0|4,0,0]=4 1168 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,0,0,0,0,0|3,0,0]=3 1169 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,0,0,0,0,0|3,0,0]=3 1170 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,0,0,0,0,0|4,0,0]=4 1171 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,0,0,0,0,0|4,0,0]=4 1172 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [0,0,0,0,0,0|2,0,1]=3 1173 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,0,0,0,0,0|2,0,0]=2 1174 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,0,0,0,0,0|2,0,0]=2 1175 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,0,0,0,0,0|2,0,0]=2 1176 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,0,0,0,0,0|2,0,0]=2 1177 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,0,0,0,0,0|2,0,0]=2 1178 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,0,0,0,0,0|2,0,0]=2 1179 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,0,0,0,0,0|2,0,0]=2 1180 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,0,0,0,0,0|2,0,0]=2 1181 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,0,0,0,0,0|1,0,0]=1 1182 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,0,0,0,0,0|3,0,0]=3 1183 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,0,0,0,0,0|3,0,1]=4 1184 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,0,0,0,0,0|2,0,2]=4 1185 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,0,0,0,0,0|2,0,2]=4 1186 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,0,0,0,0,0|3,0,0]=3 1187 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,0,0,0,0,0|3,0,0]=3 1188 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,0,0,0,0,0|2,0,0]=2 1189 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,0,0,0,0,0|2,0,0]=2 1190 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,0,0,0,0,0|4,0,0]=4 1191 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,0,0,0,0,0|4,0,0]=4 1192 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,0,0,0,0,0|4,0,0]=4 1193 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,0,0,0,0,0|3,0,1]=4 1194 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,0,0,0,0,0|3,0,0]=3 1195 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,0,0,0,0,0|3,0,0]=3 1196 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,0,0,0,0,0|3,0,0]=3 1197 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,0,0,0,0,0|3,0,0]=3 1198 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,0,0,0,0,0|2,0,0]=2 1199 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,0,0,0,0,0|2,0,0]=2 1200 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,0,0,0,0,0|4,0,0]=4 1201 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,0,0,0,0,0|4,0,0]=4 1202 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,0,0,0,0,0|4,0,0]=4 1203 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,0,0,0,0,0|4,0,0]=4 1204 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,0,0,0,0,0|4,0,0]=4 1205 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,0,0,0,0,0|4,0,0]=4 1206 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,0,0,0,0,0|3,0,1]=4 1207 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,0,0,0,0,0|3,0,0]=3 1208 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,0,0,0,0,0|3,0,0]=3 1209 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,0,0,0,0,0|3,0,0]=3 1210 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,0,0,0,0,0|3,0,0]=3 1211 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,0,0,0,0,0|3,0,0]=3 1212 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,0,0,0,0,0|3,0,0]=3 1213 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,0,0,0,0,0|2,0,0]=2 1214 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,0,0,0,0,0|2,0,0]=2 1215 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,0,0,0,0,0|4,0,0]=4 1216 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,0,0,0,0,0|4,0,0]=4 1217 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,0,0,0,0,0|4,0,0]=4 1218 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,0,0,0,0,0|4,0,0]=4 1219 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,0,0,0,0,0|4,0,0]=4 1220 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,0,0,0,0,0|4,0,0]=4 1221 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,0,0,0,0,0|4,0,0]=4 1222 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,0,0,0,0,0|4,0,0]=4 1223 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,0,0,0,0,0|4,0,0]=4 1224 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,0,0,0,0,0|4,0,0]=4 1225 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,0,0,0,0,0|4,0,0]=4 1226 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,0,0,0,0,0|4,0,0]=4 1227 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,0,0,0,0,0|4,0,0]=4 1228 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,0,0,0,0,0|4,0,0]=4 1229 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,0,0,0,0,0|4,0,0]=4 1230 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,0,0,0,0,0|4,0,0]=4 1231 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,0,0,0,0,0|3,0,1]=4 1232 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,0,0,0,0,0|3,0,1]=4 1233 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,0,0,0,0,0|3,0,0]=3 1234 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,0,0,0,0,0|3,0,0]=3 1235 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,0,0,0,0,0|2,0,0]=2 1236 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,0,0,0,0,0|2,0,0]=2 1237 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,0,0,0,0,0|4,0,0]=4 1238 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,0,0,0,0,0|4,0,0]=4 1239 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,0,0,0,0,0|4,0,0]=4 1240 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,0,0,0,0,0|4,0,0]=4 1241 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [0,0,0,0,0,0|4,0,0]=4 1242 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [0,0,0,0,0,0|4,0,0]=4 1243 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,0,0,0,0,0|2,0,1]=3 1244 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,0,0,0,0,0|2,0,1]=3 1245 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,0,0,0,0,0|1,0,2]=3 1246 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,0,0,0,0,0|1,0,2]=3 1247 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,0,0,0,0,0|2,0,0]=2 1248 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,0,0,0,0,0|2,0,0]=2 1249 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,0,0,0,0,0|1,0,0]=1 1250 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,0,0,0,0,0|1,0,0]=1 1251 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,0,0,0,0,0|3,0,1]=4 1252 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,0,0,0,0,0|3,0,0]=3 1253 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,0,0,0,0,0|2,0,0]=2 1254 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,0,0,0,0,0|4,0,0]=4 1255 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,0,0,0,0,0|4,0,0]=4 1256 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,0,0,0,0,0|3,0,1]=4 1257 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,0,0,0,0,0|3,0,0]=3 1258 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,0,0,0,0,0|3,0,0]=3 1259 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,0,0,0,0,0|2,0,0]=2 1260 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,0,0,0,0,0|2,0,0]=2 1261 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,0,0,0,0,0|4,0,0]=4 1262 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,0,0,0,0,0|4,0,0]=4 1263 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,0,0,0,0,0|4,0,0]=4 1264 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,0,0,0,0,0|4,0,0]=4 1265 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,0,0,0,0,0|4,0,0]=4 1266 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,0,0,0,0,0|4,0,0]=4 1267 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,0,0,0,0,0|2,0,1]=3 1268 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,0,0,0,0,0|1,0,0]=1 1269 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,0,0,0,0,0|1,0,0]=1 1270 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,0,0,0,0,0|1,0,0]=1 1271 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,0,0,0,0,0|3,0,0]=3 1272 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,0,0,0,0,0|2,0,0]=2 1273 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,0,0,0,0,0|2,0,0]=2 1274 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,0,0,0,0,0|4,0,0]=4 1275 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,0,0,0,0,0|4,0,0]=4 1276 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,0,0,0,0,0|4,0,0]=4 1277 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,0,0,0,0,0|4,0,0]=4 1278 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,0,0,0,0,0|4,0,0]=4 1279 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,0,0,0,0,0|4,0,0]=4 1280 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,0,0,0,0,0|2,0,0]=2 1281 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,0,0,0,0,0|2,0,0]=2 1282 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,0,0,0,0,0|2,0,0]=2 1283 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,0,0,0,0,0|1,0,0]=1 1284 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,0,0,0,0,0|3,0,0]=3 1285 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,0,0,0,0,0|3,0,0]=3 1286 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,0,0,0,0,0|3,0,0]=3 1287 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,0,0,0,0,0|3,0,1]=4 1288 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,0,0,0,0,0|3,0,0]=3 1289 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,0,0,0,0,0|3,0,0]=3 1290 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,0,0,0,0,0|3,0,0]=3 1291 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,0,0,0,0,0|3,0,0]=3 1292 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,0,0,0,0,0|2,0,0]=2 1293 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,0,0,0,0,0|2,0,0]=2 1294 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,0,0,0,0,0|4,0,0]=4 1295 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,0,0,0,0,0|4,0,0]=4 1296 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,0,0,0,0,0|4,0,0]=4 1297 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,0,0,0,0,0|4,0,0]=4 1298 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,0,0,0,0,0|4,0,0]=4 1299 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,0,0,0,0,0|4,0,0]=4 1300 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,0,0,0,0,0|3,0,1]=4 1301 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,0,0,0,0,0|3,0,0]=3 1302 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,0,0,0,0,0|3,0,0]=3 1303 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,0,0,0,0,0|3,0,0]=3 1304 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,0,0,0,0,0|3,0,0]=3 1305 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,0,0,0,0,0|3,0,0]=3 1306 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,0,0,0,0,0|3,0,0]=3 1307 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,0,0,0,0,0|3,0,0]=3 1308 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,0,0,0,0,0|2,0,0]=2 1309 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,0,0,0,0,0|2,0,0]=2 1310 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,0,0,0,0,0|4,0,0]=4 1311 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,0,0,0,0,0|4,0,0]=4 1312 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,0,0,0,0,0|4,0,0]=4 1313 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,0,0,0,0,0|4,0,0]=4 1314 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,0,0,0,0,0|4,0,0]=4 1315 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,0,0,0,0,0|4,0,0]=4 1316 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,0,0,0,0,0|4,0,0]=4 1317 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,0,0,0,0,0|4,0,0]=4 1318 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,0,0,0,0,0|4,0,0]=4 1319 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,0,0,0,0,0|3,0,1]=4 1320 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,0,0,0,0,0|3,0,1]=4 1321 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,0,0,0,0,0|3,0,0]=3 1322 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,0,0,0,0,0|3,0,0]=3 1323 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,0,0,0,0,0|2,0,0]=2 1324 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,0,0,0,0,0|2,0,0]=2 1325 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,0,0,0,0,0|4,0,0]=4 1326 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,0,0,0,0,0|4,0,0]=4 1327 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,0,0,0,0,0|4,0,0]=4 1328 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,0,0,0,0,0|4,0,0]=4 1329 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [0,0,0,0,0,0|4,0,0]=4 1330 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [0,0,0,0,0,0|4,0,0]=4 1331 B10R0.71 CCOCCNCC#CCO 2230a_102516460346_200000047223 [0,0,0,0,0,0|2,0,2]=4 1332 B10R0.71 CCOCCNCC#CCO 34a_102516460346_200000047223 [0,0,0,0,0,0|2,0,2]=4 1333 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,0,0,0,0,0|3,0,1]=4 1334 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,0,0,0,0,0|2,0,2]=4 1335 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,0,0,0,0,0|3,0,0]=3 1336 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,0,0,0,0,0|3,0,0]=3 1337 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,0,0,0,0,0|2,0,0]=2 1338 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,0,0,0,0,0|2,0,0]=2 1339 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,0,0,0,0,0|2,0,0]=2 1340 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,0,0,0,0,0|2,0,0]=2 1341 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,0,0,0,0,0|4,0,0]=4 1342 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,0,0,0,0,0|4,0,0]=4 1343 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,0,0,0,0,0|4,0,0]=4 1344 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,0,0,0,0,0|4,0,0]=4 1345 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [0,0,0,0,0,0|4,0,0]=4 1346 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [0,0,0,0,0,0|4,0,0]=4 1347 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [0,0,0,0,0,0|4,0,0]=4 1348 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [0,0,0,0,0,0|4,0,0]=4 1349 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [0,0,0,0,0,0|4,0,0]=4 1350 B10R0.71 CCOCCOCC#CCO 34a_100000210136_200000047223 [0,0,0,0,0,0|2,0,2]=4 1351 B10R0.71 CCOCCOCC#CCO 7a_100000210136_200000047223 [0,0,0,0,0,0|2,0,2]=4 1352 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,0,0,0,0,0|3,0,1]=4 1353 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,0,0,0,0,0|2,0,2]=4 1354 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,0,0,0,0,0|3,0,0]=3 1355 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,0,0,0,0,0|3,0,0]=3 1356 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,0,0,0,0,0|3,0,0]=3 1357 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,0,0,0,0,0|3,0,0]=3 1358 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,0,0,0,0,0|3,0,0]=3 1359 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,0,0,0,0,0|3,0,0]=3 1360 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,0,0,0,0,0|3,0,0]=3 1361 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,0,0,0,0,0|3,0,0]=3 1362 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,0,0,0,0,0|3,0,0]=3 1363 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,0,0,0,0,0|2,0,0]=2 1364 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,0,0,0,0,0|2,0,0]=2 1365 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,0,0,0,0,0|4,0,0]=4 1366 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,0,0,0,0,0|4,0,0]=4 1367 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,0,0,0,0,0|4,0,0]=4 1368 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,0,0,0,0,0|4,0,0]=4 1369 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,0,0,0,0,0|4,0,0]=4 1370 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,0,0,0,0,0|4,0,0]=4 1371 B10R0.71 CCOCCOCCNCF 34a_100102712874_100015361967 [0,0,0,0,0,0|4,0,0]=4 1372 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [0,0,0,0,0,0|4,0,0]=4 1373 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [0,0,0,0,0,0|4,0,0]=4 1374 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [0,0,0,0,0,0|4,0,0]=4 1375 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [0,0,0,0,0,0|4,0,0]=4 1376 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [0,0,0,0,0,0|4,0,0]=4 1377 B10R0.71 CCOCCOCCOCF 34a_100000210240_100015361967 [0,0,0,0,0,0|4,0,0]=4 1378 B10R0.71 CCOCCOCCOCF 7a_100000210240_100015361967 [0,0,0,0,0,0|4,0,0]=4 1379 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [0,0,0,0,0,0|4,0,0]=4 1380 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [0,0,0,0,0,0|4,0,0]=4 1381 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [0,0,0,0,0,0|4,0,0]=4 1382 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [0,0,0,0,0,0|4,0,0]=4 1383 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [0,0,0,0,0,0|4,0,0]=4 1384 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [0,0,0,0,0,0|4,0,0]=4 1385 B10R0.71 CCOCCOCCSCF 62a_100011211534_100015361967 [0,0,0,0,0,0|4,0,0]=4 1386 B10R0.71 CCOCCOCCSCF 62a_100015361967_100011211534 [0,0,0,0,0,0|4,0,0]=4 1387 B10R0.71 CCOCCSCC#CCO 62a_100000210147_200000047223 [0,0,0,0,0,0|2,0,2]=4 1388 B10R0.71 CCOCCSCC#CCO 62a_200000047223_100011215890 [0,0,0,0,0,0|2,0,2]=4 1389 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,0,0,0,0,0|3,0,1]=4 1390 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,0,0,0,0,0|3,0,1]=4 1391 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,0,0,0,0,0|2,0,2]=4 1392 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,0,0,0,0,0|2,0,2]=4 1393 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,0,0,0,0,0|3,0,0]=3 1394 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,0,0,0,0,0|3,0,0]=3 1395 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,0,0,0,0,0|2,0,0]=2 1396 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,0,0,0,0,0|2,0,0]=2 1397 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,0,0,0,0,0|4,0,0]=4 1398 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,0,0,0,0,0|4,0,0]=4 1399 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [0,0,0,0,0,0|4,0,0]=4 1400 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [0,0,0,0,0,0|4,0,0]=4 1401 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [0,0,0,0,0,0|4,0,0]=4 1402 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,0,0,0,0,0|3,0,1]=4 1403 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,0,0,0,0,0|3,0,1]=4 1404 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,0,0,0,0,0|2,0,2]=4 1405 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,0,0,0,0,0|2,0,2]=4 1406 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,0,0,0,0,0|3,0,0]=3 1407 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,0,0,0,0,0|3,0,0]=3 1408 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,0,0,0,0,0|2,0,0]=2 1409 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,0,0,0,0,0|2,0,0]=2 1410 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,0,0,0,0,0|4,0,0]=4 1411 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,0,0,0,0,0|4,0,0]=4 1412 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,0,0,0,0,0|3,0,0]=3 1413 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,0,0,0,0,0|3,0,0]=3 1414 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,0,0,0,0,0|2,0,1]=3 1415 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,0,0,0,0,0|2,0,1]=3 1416 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,0,0,0,0,0|1,0,0]=1 1417 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,0,0,0,0,0|1,0,0]=1 1418 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,0,0,0,0,0|3,0,0]=3 1419 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,0,0,0,0,0|3,0,0]=3 1420 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,0,0,0,0,0|3,0,1]=4 1421 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,0,0,0,0,0|3,0,0]=3 1422 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,0,0,0,0,0|3,0,0]=3 1423 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,0,0,0,0,0|2,0,0]=2 1424 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,0,0,0,0,0|2,0,0]=2 1425 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,0,0,0,0,0|4,0,0]=4 1426 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,0,0,0,0,0|4,0,0]=4 1427 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,0,0,0,0,0|4,0,0]=4 1428 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,0,0,0,0,0|4,0,0]=4 1429 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,0,0,0,0,0|4,0,0]=4 1430 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,0,0,0,0,0|4,0,0]=4 1431 B10R0.71 CCSCCNCC#CCO 2230a_100000106463_200000047223 [0,0,0,0,0,0|2,0,2]=4 1432 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,0,0,0,0,0|3,0,1]=4 1433 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,0,0,0,0,0|2,0,2]=4 1434 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,0,0,0,0,0|3,0,0]=3 1435 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,0,0,0,0,0|2,0,0]=2 1436 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,0,0,0,0,0|2,0,0]=2 1437 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,0,0,0,0,0|2,0,0]=2 1438 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,0,0,0,0,0|4,0,0]=4 1439 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,0,0,0,0,0|4,0,0]=4 1440 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,0,0,0,0,0|4,0,0]=4 1441 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [0,0,0,0,0,0|4,0,0]=4 1442 B10R0.71 CCSCCOCC#CCO 34a_100000212035_200000047223 [0,0,0,0,0,0|2,0,2]=4 1443 B10R0.71 CCSCCOCC#CCO 7a_100000212035_200000047223 [0,0,0,0,0,0|2,0,2]=4 1444 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,0,0,0,0,0|3,0,1]=4 1445 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,0,0,0,0,0|2,0,2]=4 1446 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,0,0,0,0,0|3,0,0]=3 1447 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,0,0,0,0,0|3,0,0]=3 1448 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,0,0,0,0,0|3,0,0]=3 1449 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,0,0,0,0,0|3,0,0]=3 1450 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,0,0,0,0,0|3,0,0]=3 1451 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,0,0,0,0,0|3,0,0]=3 1452 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,0,0,0,0,0|3,0,0]=3 1453 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,0,0,0,0,0|3,0,0]=3 1454 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,0,0,0,0,0|3,0,0]=3 1455 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,0,0,0,0,0|2,0,0]=2 1456 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,0,0,0,0,0|2,0,0]=2 1457 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,0,0,0,0,0|4,0,0]=4 1458 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,0,0,0,0,0|4,0,0]=4 1459 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,0,0,0,0,0|4,0,0]=4 1460 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,0,0,0,0,0|4,0,0]=4 1461 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,0,0,0,0,0|4,0,0]=4 1462 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,0,0,0,0,0|4,0,0]=4 1463 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [0,0,0,0,0,0|4,0,0]=4 1464 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [0,0,0,0,0,0|4,0,0]=4 1465 B10R0.71 CCSCCSCC#CCO 62a_100000757381_200000047223 [0,0,0,0,0,0|2,0,2]=4 1466 B10R0.71 CCSCCSCC#CCO 62a_200000047223_100000757381 [0,0,0,0,0,0|2,0,2]=4 1467 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,0,0,0,0,0|3,0,1]=4 1468 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,0,0,0,0,0|3,0,1]=4 1469 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,0,0,0,0,0|2,0,2]=4 1470 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,0,0,0,0,0|2,0,2]=4 1471 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,0,0,0,0,0|3,0,0]=3 1472 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,0,0,0,0,0|3,0,0]=3 1473 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,0,0,0,0,0|2,0,0]=2 1474 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,0,0,0,0,0|2,0,0]=2 1475 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,0,0,0,0,0|4,0,0]=4 1476 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,0,0,0,0,0|4,0,0]=4 1477 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [0,0,0,0,0,0|4,0,0]=4 1478 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,0,0,0,0,0|1,0,0]=1 1479 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,0,0,0,0,0|1,0,0]=1 1480 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,0,0,0,0,0|1,0,0]=1 1481 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,0,0,0,0,0|1,0,0]=1 1482 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,0,0,0,0,0|1,0,0]=1 1483 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,0,0,0,0,0|4,0,0]=4 1484 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,0,0,0,0,0|2,0,2]=4 1485 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,0,0,0,0,0|3,0,0]=3 1486 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,0,0,0,0,0|2,0,0]=2 1487 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,0,0,0,0,0|4,0,0]=4 1488 B10R0.71 CNCCCOCC#CCO 34a_100000213112_200000047223 [0,0,0,0,0,0|2,0,2]=4 1489 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,0,0,0,0,0|3,0,0]=3 1490 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,0,0,0,0,0|2,0,0]=2 1491 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,0,0,0,0,0|4,0,0]=4 1492 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [0,0,0,0,0,0|4,0,0]=4 1493 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,0,0,0,0,0|3,0,0]=3 1494 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,0,0,0,0,0|3,0,0]=3 1495 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,0,0,0,0,0|3,0,0]=3 1496 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,0,0,0,0,0|3,0,0]=3 1497 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,0,0,0,0,0|3,0,0]=3 1498 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,0,0,0,0,0|3,0,0]=3 1499 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,0,0,0,0,0|2,0,0]=2 1500 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,0,0,0,0,0|2,0,0]=2 1501 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,0,0,0,0,0|2,0,0]=2 1502 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,0,0,0,0,0|2,0,0]=2 1503 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,0,0,0,0,0|2,0,0]=2 1504 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,0,0,0,0,0|1,0,0]=1 1505 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,0,0,0,0,0|3,0,0]=3 1506 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,0,0,0,0,0|3,0,0]=3 1507 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,0,0,0,0,0|3,0,0]=3 1508 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,0,0,0,0,0|3,0,0]=3 1509 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,0,0,0,0,0|3,0,1]=4 1510 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,0,0,0,0,0|2,0,2]=4 1511 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,0,0,0,0,0|2,0,2]=4 1512 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,0,0,0,0,0|3,0,0]=3 1513 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,0,0,0,0,0|3,0,0]=3 1514 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,0,0,0,0,0|3,0,0]=3 1515 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,0,0,0,0,0|2,0,0]=2 1516 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,0,0,0,0,0|2,0,0]=2 1517 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,0,0,0,0,0|4,0,0]=4 1518 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,0,0,0,0,0|4,0,0]=4 1519 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,0,0,0,0,0|4,0,0]=4 1520 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,0,0,0,0,0|3,0,0]=3 1521 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,0,0,0,0,0|3,0,0]=3 1522 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,0,0,0,0,0|4,0,0]=4 1523 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,0,0,0,0,0|4,0,0]=4 1524 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,0,0,0,0,0|3,0,0]=3 1525 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,0,0,0,0,0|3,0,0]=3 1526 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,0,0,0,0,0|3,0,0]=3 1527 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,0,0,0,0,0|3,0,0]=3 1528 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,0,0,0,0,0|3,0,0]=3 1529 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,0,0,0,0,0|2,0,0]=2 1530 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,0,0,0,0,0|4,0,0]=4 1531 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,0,0,0,0,0|4,0,0]=4 1532 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,0,0,0,0,0|4,0,0]=4 1533 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,0,0,0,0,0|4,0,0]=4 1534 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,0,0,0,0,0|4,0,0]=4 1535 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,0,0,0,0,0|4,0,0]=4 1536 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,0,0,0,0,0|3,0,1]=4 1537 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,0,0,0,0,0|3,0,1]=4 1538 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,0,0,0,0,0|3,0,0]=3 1539 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,0,0,0,0,0|3,0,0]=3 1540 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,0,0,0,0,0|2,0,0]=2 1541 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,0,0,0,0,0|2,0,0]=2 1542 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,0,0,0,0,0|4,0,0]=4 1543 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,0,0,0,0,0|4,0,0]=4 1544 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,0,0,0,0,0|4,0,0]=4 1545 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,0,0,0,0,0|4,0,0]=4 1546 B10R0.71 COCCCNCC#CCO 34a_100150723488_200000047223 [0,0,0,0,0,0|2,0,2]=4 1547 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,0,0,0,0,0|3,0,0]=3 1548 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,0,0,0,0,0|2,0,0]=2 1549 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,0,0,0,0,0|2,0,0]=2 1550 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,0,0,0,0,0|2,0,0]=2 1551 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,0,0,0,0,0|4,0,0]=4 1552 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,0,0,0,0,0|4,0,0]=4 1553 B10R0.71 COCCCOCC#CCO 34a_100000740835_200000047223 [0,0,0,0,0,0|2,0,2]=4 1554 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,0,0,0,0,0|3,0,0]=3 1555 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,0,0,0,0,0|3,0,0]=3 1556 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,0,0,0,0,0|3,0,0]=3 1557 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,0,0,0,0,0|3,0,0]=3 1558 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,0,0,0,0,0|3,0,0]=3 1559 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,0,0,0,0,0|3,0,0]=3 1560 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,0,0,0,0,0|3,0,0]=3 1561 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,0,0,0,0,0|3,0,0]=3 1562 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,0,0,0,0,0|2,0,0]=2 1563 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,0,0,0,0,0|4,0,0]=4 1564 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,0,0,0,0,0|4,0,0]=4 1565 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,0,0,0,0,0|4,0,0]=4 1566 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,0,0,0,0,0|4,0,0]=4 1567 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,0,0,0,0,0|4,0,0]=4 1568 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,0,0,0,0,0|4,0,0]=4 1569 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,0,0,0,0,0|4,0,0]=4 1570 B10R0.71 COCCCSCC#CCO 62a_100000709357_200000047223 [0,0,0,0,0,0|2,0,2]=4 1571 B10R0.71 COCCCSCC#CCO 62a_200000047223_100000709357 [0,0,0,0,0,0|2,0,2]=4 1572 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,0,0,0,0,0|3,0,1]=4 1573 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,0,0,0,0,0|3,0,1]=4 1574 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,0,0,0,0,0|2,0,2]=4 1575 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,0,0,0,0,0|2,0,2]=4 1576 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,0,0,0,0,0|3,0,0]=3 1577 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,0,0,0,0,0|3,0,0]=3 1578 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,0,0,0,0,0|2,0,0]=2 1579 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,0,0,0,0,0|2,0,0]=2 1580 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,0,0,0,0,0|4,0,0]=4 1581 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,0,0,0,0,0|3,0,1]=4 1582 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,0,0,0,0,0|2,0,2]=4 1583 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,0,0,0,0,0|3,0,0]=3 1584 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,0,0,0,0,0|2,0,0]=2 1585 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,0,0,0,0,0|2,0,0]=2 1586 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,0,0,0,0,0|2,0,0]=2 1587 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,0,0,0,0,0|3,0,0]=3 1588 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,0,0,0,0,0|3,0,0]=3 1589 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,0,0,0,0,0|3,0,0]=3 1590 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,0,0,0,0,0|3,0,0]=3 1591 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,0,0,0,0,0|3,0,0]=3 1592 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,0,0,0,0,0|3,0,0]=3 1593 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,0,0,0,0,0|3,0,0]=3 1594 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,0,0,0,0,0|3,0,0]=3 1595 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,0,0,0,0,0|3,0,0]=3 1596 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,0,0,0,0,0|3,0,0]=3 1597 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,0,0,0,0,0|3,0,0]=3 1598 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,0,0,0,0,0|3,0,0]=3 1599 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,0,0,0,0,0|2,0,0]=2 1600 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,0,0,0,0,0|4,0,0]=4 1601 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,0,0,0,0,0|4,0,0]=4 1602 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,0,0,0,0,0|4,0,0]=4 1603 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [0,0,0,0,0,0|4,0,0]=4 1604 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [0,0,0,0,0,0|4,0,0]=4 1605 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [0,0,0,0,0,0|4,0,0]=4 1606 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [0,0,0,0,0,0|4,0,0]=4 1607 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [0,0,0,0,0,0|4,0,0]=4 1608 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,0,0,0,0,0|3,0,0]=3 1609 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,0,0,0,0,0|3,0,0]=3 1610 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,0,0,0,0,0|3,0,0]=3 1611 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,0,0,0,0,0|3,0,0]=3 1612 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [0,0,0,0,0,0|4,0,0]=4 1613 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [0,0,0,0,0,0|4,0,0]=4 1614 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [0,0,0,0,0,0|4,0,0]=4 1615 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [0,0,0,0,0,0|4,0,0]=4 1616 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [0,0,0,0,0,0|4,0,0]=4 1617 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [0,0,0,0,0,0|4,0,0]=4 1618 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [0,0,0,0,0,0|4,0,0]=4 1619 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [0,0,0,0,0,0|4,0,0]=4 1620 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [0,0,0,0,0,0|4,0,0]=4 1621 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [0,0,0,0,0,0|4,0,0]=4 1622 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [0,0,0,0,0,0|4,0,0]=4 1623 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [0,0,0,0,0,0|4,0,0]=4 1624 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [0,0,0,0,0,0|4,0,0]=4 1625 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [0,0,0,0,0,0|4,0,0]=4 1626 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [0,0,0,0,0,0|4,0,0]=4 1627 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [0,0,0,0,0,0|4,0,0]=4 1628 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [0,0,0,0,0,0|4,0,0]=4 1629 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [0,0,0,0,0,0|4,0,0]=4 1630 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,0,0,0,0,0|3,0,0]=3 1631 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,0,0,0,0,0|3,0,0]=3 1632 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,0,0,0,0,0|3,0,0]=3 1633 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,0,0,0,0,0|3,0,0]=3 1634 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [0,0,0,0,0,0|4,0,0]=4 1635 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [0,0,0,0,0,0|4,0,0]=4 1636 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,0,0,0,0,0|3,0,0]=3 1637 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,0,0,0,0,0|3,0,0]=3 1638 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [0,0,0,0,0,0|4,0,0]=4 1639 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [0,0,0,0,0,0|4,0,0]=4 1640 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [0,0,0,0,0,0|4,0,0]=4 1641 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,0,0,0,0,0|3,0,0]=3 1642 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,0,0,0,0,0|3,0,0]=3 1643 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,0,0,0,0,0|3,0,1]=4 1644 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,0,0,0,0,0|3,0,1]=4 1645 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,0,0,0,0,0|2,0,2]=4 1646 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,0,0,0,0,0|2,0,2]=4 1647 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,0,0,0,0,0|3,0,0]=3 1648 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,0,0,0,0,0|3,0,0]=3 1649 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,0,0,0,0,0|2,0,0]=2 1650 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,0,0,0,0,0|2,0,0]=2 1651 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,0,0,0,0,0|3,0,0]=3 1652 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,0,0,0,0,0|3,0,0]=3 1653 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,0,0,0,0,0|2,0,0]=2 1654 B10R0.71 COCSCCCCCC#N 62a_100000766300_100009813376 [0,0,0,0,0,0|3,0,1]=4 1655 B10R0.71 COCSCCCCCC#N 62a_100009813376_100000766300 [0,0,0,0,0,0|3,0,1]=4 1656 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,0,0,0,0,0|2,0,2]=4 1657 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,0,0,0,0,0|2,0,2]=4 1658 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,0,0,0,0,0|3,0,0]=3 1659 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,0,0,0,0,0|3,0,0]=3 1660 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,0,0,0,0,0|2,0,0]=2 1661 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,0,0,0,0,0|2,0,0]=2 1662 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,0,0,0,0,0|1,0,0]=1 1663 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,0,0,0,0,0|1,0,0]=1 1664 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,0,0,0,0,0|3,0,1]=4 1665 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,0,0,0,0,0|3,0,0]=3 1666 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,0,0,0,0,0|3,0,0]=3 1667 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,0,0,0,0,0|2,0,0]=2 1668 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,0,0,0,0,0|2,0,0]=2 1669 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,0,0,0,0,0|4,0,0]=4 1670 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,0,0,0,0,0|4,0,0]=4 1671 B10R0.71 CSCCCNCC#CCO 2230a_100000749238_200000047223 [0,0,0,0,0,0|2,0,2]=4 1672 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,0,0,0,0,0|3,0,1]=4 1673 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,0,0,0,0,0|2,0,2]=4 1674 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,0,0,0,0,0|3,0,0]=3 1675 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,0,0,0,0,0|2,0,0]=2 1676 B10R0.71 CSCCCOCC#CCO 34a_100000690336_200000047223 [0,0,0,0,0,0|2,0,2]=4 1677 B10R0.71 CSCCCOCC#CCO 7a_100000690336_200000047223 [0,0,0,0,0,0|2,0,2]=4 1678 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,0,0,0,0,0|3,0,1]=4 1679 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,0,0,0,0,0|2,0,2]=4 1680 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,0,0,0,0,0|3,0,0]=3 1681 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,0,0,0,0,0|3,0,0]=3 1682 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,0,0,0,0,0|2,0,0]=2 1683 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,0,0,0,0,0|2,0,0]=2 1684 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,0,0,0,0,0|3,0,1]=4 1685 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,0,0,0,0,0|2,0,2]=4 1686 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,0,0,0,0,0|3,0,0]=3 1687 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,0,0,0,0,0|2,0,0]=2 1688 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,0,0,0,0,0|2,0,0]=2 1689 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,0,0,0,0,0|2,0,0]=2 1690 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,0,0,0,0,0|3,0,0]=3 1691 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,0,0,0,0,0|3,0,0]=3 1692 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,0,0,0,0,0|3,0,0]=3 1693 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,0,0,0,0,0|3,0,0]=3 1694 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,0,0,0,0,0|3,0,1]=4 1695 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,0,0,0,0,0|2,0,2]=4 1696 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,0,0,0,0,0|3,0,0]=3 1697 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,0,0,0,0,0|3,0,0]=3 1698 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,0,0,0,0,0|3,0,0]=3 1699 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,0,0,0,0,0|3,0,0]=3 1700 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,0,0,0,0,0|3,0,0]=3 1701 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,0,0,0,0,0|3,0,0]=3 1702 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,0,0,0,0,0|3,0,0]=3 1703 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,0,0,0,0,0|3,0,0]=3 1704 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,0,0,0,0,0|3,0,0]=3 1705 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,0,0,0,0,0|2,0,0]=2 1706 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,0,0,0,0,0|2,0,0]=2 1707 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [0,0,0,0,0,0|4,0,0]=4 1708 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [0,0,0,0,0,0|4,0,0]=4 1709 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [0,0,0,0,0,0|4,0,0]=4 1710 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [0,0,0,0,0,0|4,0,0]=4 1711 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [0,0,0,0,0,0|4,0,0]=4 1712 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [0,0,0,0,0,0|4,0,0]=4 1713 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [0,0,0,0,0,0|4,0,0]=4 1714 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [0,0,0,0,0,0|4,0,0]=4 1715 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [0,0,0,0,0,0|4,0,0]=4 1716 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,0,0,0,0,0|3,0,0]=3 1717 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,0,0,0,0,0|3,0,0]=3 1718 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,0,0,0,0,0|3,0,0]=3 1719 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,0,0,0,0,0|3,0,0]=3 1720 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,0,0,0,0,0|3,0,1]=4 1721 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,0,0,0,0,0|3,0,1]=4 1722 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,0,0,0,0,0|2,0,2]=4 1723 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,0,0,0,0,0|2,0,2]=4 1724 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,0,0,0,0,0|3,0,0]=3 1725 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,0,0,0,0,0|3,0,0]=3 1726 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,0,0,0,0,0|2,0,0]=2 1727 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,0,0,0,0,0|2,0,0]=2 1728 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,0,0,0,0,0|3,0,0]=3 1729 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,0,0,0,0,0|3,0,0]=3 1730 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,0,0,0,0,0|2,0,0]=2 1731 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,0,0,0,0,0|2,0,0]=2 1732 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,0,0,0,0,0|3,0,0]=3 1733 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,0,0,0,0,0|3,0,0]=3 1734 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,0,0,0,0,0|3,0,0]=3 1735 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,0,0,0,0,0|3,0,0]=3 1736 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,0,0,0,0,0|3,0,1]=4 1737 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,0,0,0,0,0|3,0,1]=4 1738 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,0,0,0,0,0|2,0,2]=4 1739 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,0,0,0,0,0|2,0,2]=4 1740 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,0,0,0,0,0|3,0,0]=3 1741 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,0,0,0,0,0|3,0,0]=3 1742 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,0,0,0,0,0|2,0,0]=2 1743 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,0,0,0,0,0|2,0,0]=2 1744 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,0,0,0,0,0|3,0,0]=3 1745 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,0,0,0,0,0|3,0,0]=3 1746 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,0,0,0,0,0|3,0,0]=3 1747 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,0,0,0,0,0|3,0,0]=3 1748 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,0,0,0,0,0|3,0,0]=3 1749 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,0,0,0,0,0|3,0,0]=3 1750 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,0,0,0,0,0|3,0,0]=3 1751 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,0,0,0,0,0|3,0,0]=3 1752 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,0,0,0,0,0|3,0,0]=3 1753 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,0,0,0,0,0|3,0,0]=3 1754 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,0,0,0,0,0|3,0,0]=3 1755 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,0,0,0,0,0|3,0,0]=3 1756 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,0,0,0,0,0|3,0,0]=3 1757 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,0,0,0,0,0|3,0,0]=3 1758 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,0,0,0,0,0|3,0,0]=3 1759 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,0,0,0,0,0|3,0,0]=3 1760 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,0,0,0,0,0|3,0,0]=3 1761 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,0,0,0,0,0|3,0,0]=3 1762 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,0,0,0,0,0|3,0,0]=3 1763 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,0,0,0,0,0|3,0,0]=3 1764 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,0,0,0,0,0|3,0,0]=3 1765 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,0,0,0,0,0|3,0,0]=3 1766 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,0,0,0,0,0|3,0,0]=3 1767 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,0,0,0,0,0|3,0,0]=3 1768 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,0,0,0,0,0|3,0,0]=3 1769 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,0,0,0,0,0|3,0,0]=3 1770 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [0,0,0,0,0,0|4,0,0]=4 1771 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [0,0,0,0,0,0|4,0,0]=4 1772 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [0,0,0,0,0,0|4,0,0]=4 1773 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [0,0,0,0,0,0|4,0,0]=4 1774 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [0,0,0,0,0,0|4,0,0]=4 1775 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [0,0,0,0,0,0|4,0,0]=4 1776 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [0,0,0,0,0,0|4,0,0]=4 1777 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [0,0,0,0,0,0|4,0,0]=4 1778 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,0,0,0,0,0|3,0,0]=3 1779 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,0,0,0,0,0|3,0,0]=3 1780 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,0,0,0,0,0|3,0,0]=3 1781 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,0,0,0,0,0|3,0,0]=3 1782 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,0,0,0,0,0|3,0,0]=3 1783 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,0,0,0,0,0|3,0,0]=3 1784 B10R0.71 N#CCCCCCCSCF 62a_100009813337_100015361967 [0,0,0,0,0,0|3,0,1]=4 1785 B10R0.71 N#CCCCCCCSCF 62a_100015361967_100009813337 [0,0,0,0,0,0|3,0,1]=4 1786 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,0,0,0,0,0|2,0,1]=3 1787 B10R0.71 N#CCCCCCSCCF 62a_100009813376_100011217306 [0,0,0,0,0,0|3,0,1]=4 1788 B10R0.71 N#CCCCCCSCCF 62a_100011217306_100009813376 [0,0,0,0,0,0|3,0,1]=4 1789 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,0,0,0,0,0|2,0,1]=3 1790 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,0,0,0,0,0|2,0,1]=3 1791 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,0,0,0,0,0|3,0,1]=4 1792 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,0,0,0,0,0|3,0,1]=4 1793 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,0,0,0,0,0|3,0,1]=4 1794 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,0,0,0,0,0|2,0,1]=3 1795 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,0,0,0,0,0|2,0,1]=3 1796 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,0,0,0,0,0|2,0,1]=3 1797 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,0,0,0,0,0|3,0,1]=4 1798 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,0,0,0,0,0|3,0,1]=4 1799 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,0,0,0,0,0|3,0,1]=4 1800 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,0,0,0,0,0|3,0,1]=4 1801 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,0,0,0,0,0|2,0,1]=3 1802 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,0,0,0,0,0|2,0,1]=3 1803 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,0,0,0,0,0|2,0,1]=3 1804 B10R0.71 N#CCCNCCOCCO 2230a_100000211614_100011215226 [0,0,0,0,0,0|3,0,1]=4 1805 B10R0.71 N#CCCNCCSCCO 2230a_100011219999_100011215226 [0,0,0,0,0,0|3,0,1]=4 1806 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,0,0,0,0,0|3,0,1]=4 1807 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,0,0,0,0,0|3,0,1]=4 1808 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,0,0,0,0,0|3,0,1]=4 1809 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,0,0,0,0,0|3,0,1]=4 1810 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,0,0,0,0,0|3,0,1]=4 1811 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,0,0,0,0,0|2,0,1]=3 1812 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,0,0,0,0,0|2,0,1]=3 1813 B10R0.71 N#CCCSCCOCCO 62a_100011215226_100011215305 [0,0,0,0,0,0|3,0,1]=4 1814 B10R0.71 N#CCCSCCOCCO 62a_100011215305_100011215226 [0,0,0,0,0,0|3,0,1]=4 1815 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,0,0,0,0,0|2,0,1]=3 1816 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,0,0,0,0,0|3,0,1]=4 1817 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,0,0,0,0,0|3,0,1]=4 1818 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,0,0,0,0,0|3,0,1]=4 1819 B10R0.71 N#CCOCCSCCCO 62a_100011215043_200000047693 [0,0,0,0,0,0|3,0,1]=4 1820 B10R0.71 N#CCOCCSCCCO 62a_200000047693_100011215043 [0,0,0,0,0,0|3,0,1]=4 1821 B10R0.71 N#CCSCCCCCCF 62a_100011215382_100015922095 [0,0,0,0,0,0|3,0,1]=4 1822 B10R0.71 N#CCSCCCCCCF 62a_100015922095_100011215382 [0,0,0,0,0,0|3,0,1]=4 1823 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,0,0,0,0,0|2,0,1]=3 1824 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,0,0,0,0,0|2,0,1]=3 1825 B10R0.71 N#CSCCSCCCCO 62a_100000034367_100000210776 [0,0,0,0,0,0|3,0,1]=4 1826 B10R0.71 N#CSCCSCCCCO 62a_100000210776_100000034367 [0,0,0,0,0,0|3,0,1]=4 1827 B10R0.71 N#CSCSCCCCCO 62a_100000211825_100000746330 [0,0,0,0,0,0|3,0,1]=4 1828 B10R0.71 N#CSCSCCCCCO 62a_100000746330_100000211825 [0,0,0,0,0,0|3,0,1]=4 1829 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,0,0,0,0,0|3,0,0]=3 1830 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,0,0,0,0,0|2,0,2]=4 1831 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,0,0,0,0,0|3,0,0]=3 1832 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,0,0,0,0,0|2,0,0]=2 1833 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,0,0,0,0,0|3,0,0]=3 1834 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,0,0,0,0,0|2,0,0]=2 1835 B10R0.71 NCCCCOCC#CCO 34a_100000750430_200000047223 [0,0,0,0,0,0|2,0,2]=4 1836 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,0,0,0,0,0|3,0,0]=3 1837 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,0,0,0,0,0|2,0,0]=2 1838 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,0,0,0,0,0|3,0,0]=3 1839 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,0,0,0,0,0|2,0,0]=2 1840 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [0,0,0,0,0,0|4,0,0]=4 1841 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,0,0,0,0,0|3,0,0]=3 1842 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,0,0,0,0,0|3,0,0]=3 1843 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,0,0,0,0,0|2,0,0]=2 1844 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [0,0,0,0,0,0|4,0,0]=4 1845 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,0,0,0,0,0|3,0,0]=3 1846 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,0,0,0,0,0|4,0,0]=4 1847 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,0,0,0,0,0|3,0,0]=3 1848 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [0,0,0,0,0,0|4,0,0]=4 1849 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,0,0,0,0,0|2,0,1]=3 1850 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,0,0,0,0,0|2,0,2]=4 1851 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,0,0,0,0,0|2,0,2]=4 1852 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,0,0,0,0,0|2,0,1]=3 1853 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,0,0,0,0,0|2,0,1]=3 1854 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,0,0,0,0,0|2,0,2]=4 1855 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,0,0,0,0,0|2,0,2]=4 1856 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,0,0,0,0,0|2,0,2]=4 1857 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,0,0,0,0,0|2,0,1]=3 1858 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,0,0,0,0,0|2,0,1]=3 1859 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,0,0,0,0,0|2,0,1]=3 1860 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,0,0,0,0,0|2,0,2]=4 1861 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,0,0,0,0,0|2,0,2]=4 1862 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,0,0,0,0,0|2,0,2]=4 1863 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,0,0,0,0,0|2,0,2]=4 1864 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,0,0,0,0,0|2,0,1]=3 1865 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,0,0,0,0,0|2,0,1]=3 1866 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,0,0,0,0,0|2,0,1]=3 1867 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,0,0,0,0,0|2,0,1]=3 1868 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,0,0,0,0,0|2,0,2]=4 1869 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,0,0,0,0,0|2,0,2]=4 1870 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,0,0,0,0,0|2,0,2]=4 1871 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,0,0,0,0,0|2,0,2]=4 1872 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,0,0,0,0,0|2,0,2]=4 1873 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,0,0,0,0,0|2,0,2]=4 1874 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,0,0,0,0,0|2,0,2]=4 1875 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,0,0,0,0,0|2,0,2]=4 1876 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,0,0,0,0,0|2,0,1]=3 1877 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,0,0,0,0,0|2,0,1]=3 1878 B10R0.71 OCC#CCNCCCCO 2230a_100000750430_200000047223 [0,0,0,0,0,0|2,0,2]=4 1879 B10R0.71 OCC#CCNCCCCO 34a_100000750430_200000047223 [0,0,0,0,0,0|2,0,2]=4 1880 B10R0.71 OCC#CCOCCCCBr 34a_100011216708_200000047223 [0,0,0,0,0,0|2,0,2]=4 1881 B10R0.71 OCC#CCOCCCCCl 34a_100000210776_200000047223 [0,0,0,0,0,0|2,0,2]=4 1882 B10R0.71 OCC#CCOCCCCCl 7a_100000210776_200000047223 [0,0,0,0,0,0|2,0,2]=4 1883 B10R0.71 OCC#CCOCCCCF 34a_100011995726_200000047223 [0,0,0,0,0,0|2,0,2]=4 1884 B10R0.71 OCC#CCOCCCCF 7a_100011995726_200000047223 [0,0,0,0,0,0|2,0,2]=4 1885 B10R0.71 OCC#CCOCCCCI 34a_200012148704_200000047223 [0,0,0,0,0,0|2,0,2]=4 1886 B10R0.71 OCC#CCSCCCCF 62a_100000729493_200000047223 [0,0,0,0,0,0|2,0,2]=4 1887 B10R0.71 OCC#CCSCCCCF 62a_200000047223_100000729493 [0,0,0,0,0,0|2,0,2]=4 1888 B10R0.71 OCC#CCSCCCCO 62a_100000210776_200000047223 [0,0,0,0,0,0|2,0,2]=4 1889 B10R0.71 OCC#CCSCCCCO 62a_200000047223_100000210776 [0,0,0,0,0,0|2,0,2]=4 1890 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,0,0,0,0,0|3,0,1]=4 1891 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,0,0,0,0,0|2,0,0]=2 1892 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,0,0,0,0,0|2,0,0]=2 1893 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,0,0,0,0,0|2,0,0]=2 1894 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,0,0,0,0,0|2,0,0]=2 1895 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,0,0,0,0,0|2,0,0]=2 1896 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,0,0,0,0,0|2,0,0]=2 1897 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,0,0,0,0,0|2,0,0]=2 1898 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,0,0,0,0,0|2,0,0]=2 1899 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,0,0,0,0,0|2,0,0]=2 1900 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,0,0,0,0,0|2,0,0]=2 1901 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,0,0,0,0,0|2,0,0]=2 1902 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,0,0,0,0,0|2,0,0]=2 1903 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,0,0,0,0,0|2,0,0]=2 1904 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,0,0,0,0,0|2,0,0]=2 1905 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,0,0,0,0,0|2,0,0]=2 1906 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,0,0,0,0,0|2,0,0]=2 1907 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,0,0,0,0,0|2,0,0]=2 1908 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,0,0,0,0,0|2,0,0]=2 1909 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,0,0,0,0,0|2,0,0]=2 1910 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,0,0,0,0,0|2,0,0]=2 1911 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,0,0,0,0,0|2,0,0]=2 1912 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,0,0,0,0,0|2,0,0]=2 1913 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,0,0,0,0,0|2,0,0]=2 1914 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,0,0,0,0,0|2,0,0]=2 1915 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,0,0,0,0,0|2,0,0]=2 1916 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,0,0,0,0,0|2,0,0]=2 1917 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,0,0,0,0,0|2,0,0]=2 1918 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,0,0,0,0,0|2,0,0]=2 1919 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,0,0,0,0,0|2,0,0]=2 1920 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,0,0,0,0,0|2,0,0]=2 1921 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,0,0,0,0,0|2,0,0]=2 1922 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,0,0,0,0,0|2,0,0]=2 1923 B10R0.71 OCCCCOCC#CCCl 34a_200000047223_100011216708 [0,0,0,0,0,0|2,0,2]=4 1924 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,0,0,0,0,0|2,0,0]=2 1925 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,0,0,0,0,0|2,0,0]=2 1926 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,0,0,0,0,0|2,0,0]=2 1927 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,0,0,0,0,0|2,0,0]=2 1928 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,0,0,0,0,0|2,0,0]=2 1929 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,0,0,0,0,0|2,0,0]=2 1930 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,0,0,0,0,0|2,0,0]=2 1931 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,0,0,0,0,0|2,0,0]=2 1932 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,0,0,0,0,0|2,0,0]=2 1933 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,0,0,0,0,0|3,0,0]=3 1934 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,0,0,0,0,0|3,0,0]=3 1935 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,0,0,0,0,0|3,0,0]=3 1936 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,0,0,0,0,0|2,0,0]=2 1937 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,0,0,0,0,0|2,0,0]=2 1938 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,0,0,0,0,0|2,0,0]=2 1939 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,0,0,0,0,0|2,0,0]=2 1940 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,0,0,0,0,0|2,0,0]=2 1941 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,0,0,0,0,0|2,0,0]=2 1942 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,0,0,0,0,0|3,0,0]=3 1943 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,0,0,0,0,0|3,0,0]=3 1944 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,0,0,0,0,0|3,0,0]=3 1945 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,0,0,0,0,0|3,0,0]=3 1946 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,0,0,0,0,0|3,0,0]=3 1947 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,0,0,0,0,0|3,0,0]=3 1948 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,0,0,0,0,0|3,0,0]=3 1949 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,0,0,0,0,0|3,0,0]=3 1950 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,0,0,0,0,0|3,0,0]=3 1951 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,0,0,0,0,0|2,0,0]=2 1952 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,0,0,0,0,0|2,0,0]=2 1953 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,0,0,0,0,0|3,0,0]=3 1954 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,0,0,0,0,0|3,0,0]=3 1955 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,0,0,0,0,0|2,0,0]=2 1956 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,0,0,0,0,0|2,0,0]=2 1957 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,0,0,0,0,0|2,0,0]=2 1958 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,0,0,0,0,0|2,0,0]=2 1959 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,0,0,0,0,0|2,0,0]=2 1960 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,0,0,0,0,0|2,0,0]=2 1961 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,0,0,0,0,0|2,0,0]=2 1962 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,0,0,0,0,0|2,0,0]=2 1963 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,0,0,0,0,0|3,0,0]=3 1964 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,0,0,0,0,0|3,0,0]=3 1965 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,0,0,0,0,0|3,0,0]=3 1966 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,0,0,0,0,0|3,0,0]=3 1967 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,0,0,0,0,0|3,0,0]=3 1968 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,0,0,0,0,0|3,0,0]=3 1969 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,0,0,0,0,0|3,0,0]=3 1970 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,0,0,0,0,0|3,0,0]=3 1971 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,0,0,0,0,0|3,0,0]=3 1972 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,0,0,0,0,0|2,0,0]=2 1973 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,0,0,0,0,0|2,0,0]=2 1974 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,0,0,0,0,0|3,0,0]=3 1975 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,0,0,0,0,0|1,0,0]=1 1976 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,0,0,0,0,0|1,0,0]=1 1977 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,0,0,0,0,0|4,0,0]=4 1978 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,0,0,0,0,0|3,0,0]=3 1979 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,0,0,0,0,0|3,0,0]=3 1980 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,0,0,0,0,0|2,0,0]=2 1981 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,0,0,0,0,0|2,0,0]=2 1982 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,0,0,0,0,0|2,0,0]=2 1983 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,0,0,0,0,0|2,0,0]=2 1984 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,0,0,0,0,0|2,0,0]=2 1985 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,0,0,0,0,0|3,0,0]=3 1986 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [0,0,0,0,0,0|4,0,0]=4 1987 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [0,0,0,0,0,0|4,0,0]=4 1988 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [0,0,0,0,0,0|4,0,0]=4 1989 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [0,0,0,0,0,0|4,0,0]=4 1990 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [0,0,0,0,0,0|4,0,0]=4 1991 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,0,0,0,0,0|1,0,0]=1 1992 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,0,0,0,0,0|1,0,0]=1 1993 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,0,0,0,0,0|3,0,0]=3 1994 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,0,0,0,0,0|3,0,0]=3 1995 B10R0.71 [N-]=[N+]=NCCCCNCCO 2230a_100000101370_100000211926 [0,0,0,0,0,0|4,0,0]=4 1996 B10R0.71 [N-]=[N+]=NCCCNCCCO 2230a_100000744732_100000230001 [0,0,0,0,0,0|4,0,0]=4 1997 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 1998 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|1,0,2]=4 1999 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 2000 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 2001 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|1,0,2]=4 2002 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 2003 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 2004 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 2005 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|1,0,2]=4 2006 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|1,0,2]=4 2007 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|1,0,2]=4 2008 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|1,0,2]=4 2009 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,0,0,0,0,0|1,0,2]=4 2010 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 2011 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|1,0,2]=4 2012 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 2013 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,0,0,0,0,0|1,0,2]=4 2014 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,0,0,0,0,0|1,0,2]=4 2015 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 2016 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 2017 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [1,0,0,0,0,0|1,0,2]=4 2018 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [1,0,0,0,0,0|1,0,2]=4 2019 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [1,0,0,0,0,0|1,0,2]=4 2020 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [1,0,0,0,0,0|1,0,2]=4 2021 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,0,0,0,0,0|1,0,2]=4 2022 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 2023 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 2024 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [1,0,0,0,0,0|1,0,2]=4 2025 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [1,0,0,0,0,0|1,0,2]=4 2026 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,0,0,0,0,0|1,0,2]=4 2027 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,0,0,0,0,0|1,0,2]=4 2028 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [1,0,0,0,0,0|1,0,2]=4 2029 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [1,0,0,0,0,0|1,0,2]=4 2030 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,0,0,0,0,0|1,0,2]=4 2031 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,0,0,0,0,0|1,0,2]=4 2032 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,0,0,0,0,0|1,0,2]=4 2033 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [1,0,0,0,0,0|1,0,2]=4 2034 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,0,0,0,0,0|1,0,2]=4 2035 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,0,0,0,0,0|1,0,2]=4 2036 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,0,0,0,0,0|1,0,2]=4 2037 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,0,0,0,0,0|1,0,2]=4 2038 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [1,0,0,0,0,0|1,0,2]=4 2039 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [1,0,0,0,0,0|1,0,2]=4 2040 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,0,0,0,0,0|1,0,2]=4 2041 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,0,0,0,0,0|1,0,2]=4 2042 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [1,0,0,0,0,0|1,0,2]=4 2043 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [1,0,0,0,0,0|1,0,2]=4 2044 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,0,0,0,0,0|1,0,2]=4 2045 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,0,0,0,0,0|1,0,2]=4 2046 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [1,0,0,0,0,0|1,0,2]=4 2047 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [1,0,0,0,0,0|1,0,2]=4 2048 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [1,0,0,0,0,0|1,0,2]=4 2049 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 2050 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,0,0,0,0,0|1,0,2]=4 2051 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 2052 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [1,0,0,0,0,0|1,0,2]=4 2053 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,0,0,0,0,0|1,0,2]=4 2054 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,0,0,0,0,0|1,0,2]=4 2055 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [1,0,0,0,0,0|1,0,2]=4 2056 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [1,0,0,0,0,0|1,0,2]=4 2057 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,0,0,0,0,0|1,0,2]=4 2058 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,0,0,0,0,0|1,0,2]=4 2059 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [1,0,0,0,0,0|1,0,2]=4 2060 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [1,0,0,0,0,0|1,0,2]=4 2061 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [1,0,0,0,0,0|1,0,2]=4 2062 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|1,0,2]=4 2063 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|1,0,2]=4 2064 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|1,0,2]=4 2065 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [1,0,0,0,0,0|1,0,2]=4 2066 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,0,0,0,0,0|1,0,2]=4 2067 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [1,0,0,0,0,0|1,0,2]=4 2068 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|1,0,2]=4 2069 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,0,0,0,0,0|1,0,2]=4 2070 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,0,0,0,0,0|1,0,2]=4 2071 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 2072 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,2]=4 2073 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 2074 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,0,0,0,0,0|1,0,2]=4 2075 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,2]=4 2076 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,2]=4 2077 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,0,0,0,0,0|1,0,2]=4 2078 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,0,0,0,0,0|1,0,2]=4 2079 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|1,0,2]=4 2080 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|1,0,2]=4 2081 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|1,0,2]=4 2082 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|1,0,2]=4 2083 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|1,0,2]=4 2084 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|1,0,2]=4 2085 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|1,0,2]=4 2086 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|1,0,2]=4 2087 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|1,0,2]=4 2088 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|1,0,2]=4 2089 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|1,0,2]=4 2090 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|1,0,2]=4 2091 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|1,0,2]=4 2092 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|1,0,2]=4 2093 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|1,0,2]=4 2094 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|1,0,2]=4 2095 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|1,0,2]=4 2096 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|1,0,2]=4 2097 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|1,0,2]=4 2098 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|1,0,2]=4 2099 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,0,0,0,0,0|1,0,2]=4 2100 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,0,0,0,0,0|1,0,2]=4 2101 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,0,0,0,0,0|1,0,2]=4 2102 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,0,0,0,0,0|1,0,2]=4 2103 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|1,0,2]=4 2104 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|1,0,2]=4 2105 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|1,0,2]=4 2106 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,0,0,0,0,0|1,0,2]=4 2107 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,0,0,0,0,0|1,0,2]=4 2108 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|1,0,2]=4 2109 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|1,0,2]=4 2110 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,0,0,0,0,0|1,0,2]=4 2111 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,0,0,0,0,0|1,0,2]=4 2112 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|1,0,2]=4 2113 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|1,0,2]=4 2114 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|1,0,2]=4 2115 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|1,0,2]=4 2116 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,0,0,0,0,0|1,0,2]=4 2117 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,0,0,0,0,0|1,0,2]=4 2118 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|1,0,2]=4 2119 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|1,0,2]=4 2120 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|1,0,2]=4 2121 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|1,0,2]=4 2122 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,0,0,0,0,0|1,0,2]=4 2123 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,0,0,0,0,0|1,0,2]=4 2124 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|1,0,2]=4 2125 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|1,0,2]=4 2126 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,0,0,0,0,0|1,0,2]=4 2127 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,0,0,0,0,0|1,0,2]=4 2128 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|1,0,2]=4 2129 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|1,0,2]=4 2130 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,0,0,0,0,0|1,0,2]=4 2131 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,0,0,0,0,0|1,0,2]=4 2132 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,0,0,0,0,0|1,0,2]=4 2133 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|1,0,2]=4 2134 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|1,0,2]=4 2135 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|1,0,2]=4 2136 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,0,0,0,0,0|1,0,2]=4 2137 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|1,0,2]=4 2138 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|1,0,2]=4 2139 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,0,0,0,0,0|1,0,2]=4 2140 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,0,0,0,0,0|1,0,2]=4 2141 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,2]=4 2142 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,2]=4 2143 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,0,0,0,0,0|1,0,2]=4 2144 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,0,0,0,0,0|1,0,2]=4 2145 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,0,0,0,0,0|1,0,2]=4 2146 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 2147 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|1,0,2]=4 2148 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 2149 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,0,0,0,0,0|1,0,2]=4 2150 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|1,0,2]=4 2151 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|1,0,2]=4 2152 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,0,0,0,0,0|1,0,2]=4 2153 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,0,0,0,0,0|1,0,2]=4 2154 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,0,0,0,0,0|1,0,2]=4 2155 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [1,0,0,0,0,0|1,0,2]=4 2156 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,0,0,0,0,0|1,0,2]=4 2157 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,0,0,0,0,0|1,0,2]=4 2158 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,0,0,0,0,0|1,0,2]=4 2159 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [1,0,0,0,0,0|1,0,2]=4 2160 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [1,0,0,0,0,0|1,0,2]=4 2161 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [1,0,0,0,0,0|1,0,2]=4 2162 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [1,0,0,0,0,0|1,0,2]=4 2163 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,0,0,0,0,0|1,0,2]=4 2164 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,0,0,0,0,0|1,0,2]=4 2165 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,0,0,0,0,0|1,0,2]=4 2166 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [1,0,0,0,0,0|1,0,2]=4 2167 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,0,0,0,0,0|1,0,2]=4 2168 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,0,0,0,0,0|1,0,2]=4 2169 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [1,0,0,0,0,0|1,0,2]=4 2170 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [1,0,0,0,0,0|1,0,2]=4 2171 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|1,0,2]=4 2172 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|1,0,2]=4 2173 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|1,0,2]=4 2174 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|1,0,2]=4 2175 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|1,0,2]=4 2176 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|1,0,2]=4 2177 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,0,0,0,0,0|1,0,2]=4 2178 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,0,0,0,0,0|1,0,2]=4 2179 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|1,0,2]=4 2180 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|1,0,2]=4 2181 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|1,0,2]=4 2182 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,0,0,0,0,0|1,0,2]=4 2183 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,0,0,0,0,0|1,0,2]=4 2184 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|1,0,2]=4 2185 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|1,0,2]=4 2186 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,0,0,0,0,0|1,0,2]=4 2187 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,0,0,0,0,0|1,0,2]=4 2188 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|1,0,2]=4 2189 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|1,0,2]=4 2190 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|1,0,2]=4 2191 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|1,0,2]=4 2192 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|1,0,2]=4 2193 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,0,0,0,0,0|1,0,2]=4 2194 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|1,0,2]=4 2195 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|1,0,2]=4 2196 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,0,0,0,0,0|1,0,2]=4 2197 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,0,0,0,0,0|1,0,2]=4 2198 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|1,0,2]=4 2199 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,0,0,0,0,0|1,0,2]=4 2200 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,2]=4 2201 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,0,0,0,0,0|1,0,2]=4 2202 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,0,0,0,0,0|1,0,2]=4 2203 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 2204 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 2205 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,2]=4 2206 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,2]=4 2207 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,0,0,0,0,0|1,0,2]=4 2208 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,0,0,0,0,0|1,0,2]=4 2209 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,0,0,0,0|1,0,2]=4 2210 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,0,0,0,0|1,0,2]=4 2211 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [1,0,0,0,0,0|1,0,2]=4 2212 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [1,0,0,0,0,0|1,0,2]=4 2213 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,0,0,0,0,0|1,0,2]=4 2214 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,0,0,0,0,0|1,0,2]=4 2215 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,0,0,0,0,0|1,0,2]=4 2216 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,0,0,0,0,0|1,0,2]=4 2217 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,0,0,0,0,0|1,0,2]=4 2218 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [1,0,0,0,0,0|1,0,2]=4 2219 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,0,0,0,0,0|1,0,2]=4 2220 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,0,0,0,0,0|1,0,2]=4 2221 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [1,0,0,0,0,0|1,0,2]=4 2222 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [1,0,0,0,0,0|1,0,2]=4 2223 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|1,0,2]=4 2224 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|1,0,2]=4 2225 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [1,0,0,0,0,0|1,0,2]=4 2226 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [1,0,0,0,0,0|1,0,2]=4 2227 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,1]=4 2228 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|1,0,2]=4 2229 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|1,0,2]=4 2230 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [1,0,0,0,0,0|1,0,2]=4 2231 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [1,0,0,0,0,0|1,0,2]=4 2232 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [1,0,0,0,0,0|1,0,2]=4 2233 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [1,0,0,0,0,0|1,0,2]=4 2234 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|1,0,2]=4 2235 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|1,0,2]=4 2236 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,0,0,0,0,0|1,0,2]=4 2237 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,0,0,0,0,0|1,0,2]=4 2238 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,0,0,0,0,0|1,0,2]=4 2239 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,0,0,0,0,0|1,0,2]=4 2240 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,0,0,0,0,0|2,0,1]=4 2241 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [1,0,0,0,0,0|1,0,2]=4 2242 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [1,0,0,0,0,0|1,0,2]=4 2243 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [1,0,0,0,0,0|1,0,2]=4 2244 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [1,0,0,0,0,0|1,0,2]=4 2245 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,0,0,0,0,0|1,0,2]=4 2246 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,0,0,0,0,0|1,0,2]=4 2247 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 2248 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 2249 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 2250 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 2251 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [1,0,0,0,0,0|2,0,1]=4 2252 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [1,0,0,0,0,0|2,0,1]=4 2253 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,0,0,0,0,0|1,0,2]=4 2254 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,0,0,0,0,0|1,0,2]=4 2255 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,0,0,0,0,0|1,0,2]=4 2256 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,0,0,0,0,0|1,0,2]=4 2257 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,0,0,0,0,0|1,0,2]=4 2258 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,0,0,0,0,0|1,0,2]=4 2259 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,0,0,0,0,0|1,0,2]=4 2260 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,0,0,0,0,0|1,0,2]=4 2261 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,0,0,0,0,0|1,0,2]=4 2262 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,0,0,0,0,0|1,0,2]=4 2263 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,0,0,0,0,0|1,0,2]=4 2264 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,0,0,0,0,0|1,0,2]=4 2265 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|2,0,1]=4 2266 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,0]=2 2267 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,0]=2 2268 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,0]=2 2269 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,0]=2 2270 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,0]=2 2271 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,0]=2 2272 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,0]=2 2273 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,0,0]=2 2274 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,0,0]=2 2275 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,0,0]=2 2276 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,0,0]=2 2277 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,0,0]=2 2278 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,0]=2 2279 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,0]=2 2280 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,0]=2 2281 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,0]=2 2282 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,0]=2 2283 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,0]=2 2284 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|1,0,0]=2 2285 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|1,0,0]=2 2286 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|1,0,0]=2 2287 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 2288 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 2289 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|1,0,0]=2 2290 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|1,0,0]=2 2291 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,0]=3 2292 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,0]=3 2293 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,0,0,0,0,0|2,0,1]=4 2294 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|1,0,2]=4 2295 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,0]=2 2296 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,0]=3 2297 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,0]=3 2298 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|1,0,0]=2 2299 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|1,0,0]=2 2300 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|1,0,0]=2 2301 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,0]=3 2302 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,0]=3 2303 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|2,0,1]=4 2304 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,2]=4 2305 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,2]=4 2306 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|2,0,0]=3 2307 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|1,0,0]=2 2308 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|1,0,0]=2 2309 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|1,0,0]=2 2310 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|2,0,0]=3 2311 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|2,0,0]=3 2312 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,0]=3 2313 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|1,0,0]=2 2314 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|1,0,0]=2 2315 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,0]=3 2316 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,0,0,0,0,0|2,0,1]=4 2317 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,0,0,0,0,0|2,0,1]=4 2318 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,0,2]=4 2319 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,0,2]=4 2320 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|1,0,0]=2 2321 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|1,0,0]=2 2322 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|2,0,0]=3 2323 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|2,0,0]=3 2324 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|1,0,0]=2 2325 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|1,0,0]=2 2326 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,0,0]=3 2327 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,0,0]=3 2328 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,0]=3 2329 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,0]=3 2330 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,0,0,0,0,0|2,0,1]=4 2331 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|1,0,0]=2 2332 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|1,0,0]=2 2333 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|1,0,0]=2 2334 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,0]=3 2335 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,0]=3 2336 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,0]=3 2337 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|1,0,0]=2 2338 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,0,0]=3 2339 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,0,0]=3 2340 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,0,0]=3 2341 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,0,0]=3 2342 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,0]=3 2343 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,0]=3 2344 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,0,0,0,0,0|2,0,1]=4 2345 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|2,0,0]=3 2346 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|1,0,0]=2 2347 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|1,0,0]=2 2348 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|1,0,0]=2 2349 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|1,0,0]=2 2350 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|2,0,0]=3 2351 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|2,0,0]=3 2352 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|2,0,0]=3 2353 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|2,0,0]=3 2354 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,0]=3 2355 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|1,0,0]=2 2356 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|1,0,0]=2 2357 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|2,0,0]=3 2358 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|2,0,0]=3 2359 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|2,0,0]=3 2360 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|2,0,0]=3 2361 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|2,0,0]=3 2362 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|3,0,0]=4 2363 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|2,0,0]=3 2364 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|2,0,0]=3 2365 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,0]=3 2366 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,0]=3 2367 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,0]=3 2368 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,0]=3 2369 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,0,0,0,0,0|2,0,1]=4 2370 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,0,0,0,0,0|2,0,1]=4 2371 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|1,0,0]=2 2372 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|1,0,0]=2 2373 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|2,0,0]=3 2374 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|2,0,0]=3 2375 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|1,0,0]=2 2376 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|1,0,0]=2 2377 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|2,0,0]=3 2378 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|2,0,0]=3 2379 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,0]=3 2380 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,0]=3 2381 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|2,0,0]=3 2382 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|2,0,0]=3 2383 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [1,0,0,0,0,0|1,0,2]=4 2384 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [1,0,0,0,0,0|1,0,2]=4 2385 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,0,0,0,0,0|2,0,1]=4 2386 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,0,0,0,0,0|2,0,1]=4 2387 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|1,0,2]=4 2388 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|1,0,2]=4 2389 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,0]=3 2390 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,0]=3 2391 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|1,0,0]=2 2392 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|1,0,0]=2 2393 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|1,0,0]=2 2394 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|1,0,0]=2 2395 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,0,0]=3 2396 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,0,0]=3 2397 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,0,0]=3 2398 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,0]=3 2399 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|2,0,0]=3 2400 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|2,0,0]=3 2401 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|2,0,0]=3 2402 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|2,0,0]=3 2403 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|2,0,0]=3 2404 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|2,0,0]=3 2405 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|2,0,0]=3 2406 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [1,0,0,0,0,0|1,0,2]=4 2407 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [1,0,0,0,0,0|1,0,2]=4 2408 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,0,0,0,0,0|2,0,1]=4 2409 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|1,0,2]=4 2410 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|2,0,0]=3 2411 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|2,0,0]=3 2412 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|2,0,0]=3 2413 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|2,0,0]=3 2414 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|2,0,0]=3 2415 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|2,0,0]=3 2416 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|2,0,0]=3 2417 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|2,0,0]=3 2418 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,0]=3 2419 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|1,0,0]=2 2420 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|1,0,0]=2 2421 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,0]=3 2422 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,0]=3 2423 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,0]=3 2424 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,0]=3 2425 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,0]=3 2426 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|2,0,0]=3 2427 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|2,0,0]=3 2428 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|2,0,0]=3 2429 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|2,0,0]=3 2430 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|2,0,0]=3 2431 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|2,0,0]=3 2432 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|2,0,0]=3 2433 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,0]=3 2434 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,0]=3 2435 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|2,0,0]=3 2436 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|2,0,0]=3 2437 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|2,0,0]=3 2438 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|2,0,0]=3 2439 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|2,0,0]=3 2440 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|2,0,0]=3 2441 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|2,0,0]=3 2442 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|2,0,0]=3 2443 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 2444 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 2445 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|2,0,0]=3 2446 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|2,0,0]=3 2447 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|2,0,0]=3 2448 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|2,0,0]=3 2449 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|2,0,0]=3 2450 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|2,0,0]=3 2451 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,0,0,0,0,0|3,0,0]=4 2452 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,0,0,0,0,0|3,0,0]=4 2453 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,0,0,0,0,0|3,0,0]=4 2454 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,0,0,0,0,0|2,0,0]=3 2455 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,0,0,0,0,0|2,0,0]=3 2456 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,0,0,0,0,0|3,0,0]=4 2457 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|2,0,0]=3 2458 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,0,0,0,0,0|3,0,0]=4 2459 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|2,0,0]=3 2460 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|2,0,0]=3 2461 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,0,0,0,0,0|3,0,0]=4 2462 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,0,0,0,0,0|3,0,0]=4 2463 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,0,0,0,0,0|2,0,0]=3 2464 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,0,0,0,0,0|2,0,0]=3 2465 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,0,0,0,0,0|3,0,0]=4 2466 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,0,0,0,0,0|3,0,0]=4 2467 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [1,0,0,0,0,0|3,0,0]=4 2468 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [1,0,0,0,0,0|3,0,0]=4 2469 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [1,0,0,0,0,0|1,0,2]=4 2470 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [1,0,0,0,0,0|1,0,2]=4 2471 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,0,0,0,0,0|2,0,1]=4 2472 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,0,0,0,0,0|2,0,1]=4 2473 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|1,0,2]=4 2474 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|1,0,2]=4 2475 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|2,0,0]=3 2476 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|2,0,0]=3 2477 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|1,0,0]=2 2478 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|1,0,0]=2 2479 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|2,0,0]=3 2480 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|2,0,0]=3 2481 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|2,0,0]=3 2482 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|2,0,0]=3 2483 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|2,0,0]=3 2484 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|2,0,0]=3 2485 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|2,0,0]=3 2486 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2487 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2488 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|2,0,0]=3 2489 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|2,0,0]=3 2490 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|1,0,0]=2 2491 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|1,0,0]=2 2492 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|2,0,0]=3 2493 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|2,0,0]=3 2494 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|2,0,0]=3 2495 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|2,0,0]=3 2496 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,0,0,0,0,0|2,0,0]=3 2497 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,0,0,0,0,0|2,0,0]=3 2498 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|2,0,0]=3 2499 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,0,0,0,0,0|2,0,0]=3 2500 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|2,0,0]=3 2501 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|2,0,0]=3 2502 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2503 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2504 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|2,0,0]=3 2505 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|2,0,0]=3 2506 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|2,0,0]=3 2507 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,0]=3 2508 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|1,0,0]=2 2509 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|2,0,0]=3 2510 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|2,0,0]=3 2511 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,0]=3 2512 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,0]=3 2513 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2514 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2515 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,0,0,0,0,0|3,0,0]=4 2516 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|2,0,0]=3 2517 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|2,0,0]=3 2518 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|2,0,0]=3 2519 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|2,0,0]=3 2520 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|2,0,0]=3 2521 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,0,0,0,0,0|3,0,0]=4 2522 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,0,0,0,0,0|3,0,0]=4 2523 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,0,0,0,0,0|3,0,0]=4 2524 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,0,0,0,0,0|2,0,0]=3 2525 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,0,0,0,0,0|2,0,0]=3 2526 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,0,0,0,0,0|2,0,0]=3 2527 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,0,0,0,0,0|2,0,0]=3 2528 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,0,0,0,0,0|3,0,0]=4 2529 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [1,0,0,0,0,0|3,0,0]=4 2530 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [1,0,0,0,0,0|3,0,0]=4 2531 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,0,0,0,0,0|3,0,0]=4 2532 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,0,0,0,0,0|3,0,0]=4 2533 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,0,0,0,0,0|3,0,0]=4 2534 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|2,0,0]=3 2535 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|2,0,0]=3 2536 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|2,0,0]=3 2537 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2538 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2539 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,0,0,0,0,0|3,0,0]=4 2540 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,0,0,0,0,0|3,0,0]=4 2541 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,0,0,0,0,0|3,0,0]=4 2542 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,0,0,0,0,0|3,0,0]=4 2543 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,0,0,0,0,0|3,0,0]=4 2544 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,0,0,0,0,0|3,0,0]=4 2545 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,0,0,0,0,0|3,0,0]=4 2546 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,0,0,0,0,0|3,0,0]=4 2547 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,0,0,0,0,0|2,0,0]=3 2548 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,0,0,0,0,0|2,0,0]=3 2549 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,0,0,0,0,0|2,0,0]=3 2550 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,0,0,0,0,0|3,0,0]=4 2551 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|2,0,0]=3 2552 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|2,0,0]=3 2553 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|2,0,0]=3 2554 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|2,0,0]=3 2555 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,0,0,0,0,0|3,0,0]=4 2556 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,0,0,0,0,0|3,0,0]=4 2557 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,0,0,0,0,0|2,0,0]=3 2558 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,0,0,0,0,0|2,0,0]=3 2559 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,0,0,0,0,0|3,0,0]=4 2560 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,0,0,0,0,0|3,0,0]=4 2561 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [1,0,0,0,0,0|3,0,0]=4 2562 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [1,0,0,0,0,0|3,0,0]=4 2563 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,0,0,0,0,0|2,0,1]=4 2564 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,0,0,0,0,0|2,0,1]=4 2565 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|1,0,2]=4 2566 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|1,0,2]=4 2567 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|2,0,0]=3 2568 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|2,0,0]=3 2569 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|1,0,0]=2 2570 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|1,0,0]=2 2571 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|2,0,0]=3 2572 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|2,0,0]=3 2573 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|2,0,0]=3 2574 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|2,0,0]=3 2575 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [1,0,0,0,0,0|3,0,0]=4 2576 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,0,0,0,0,0|2,0,0]=3 2577 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [1,0,0,0,0,0|3,0,0]=4 2578 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [1,0,0,0,0,0|3,0,0]=4 2579 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,0,0,0,0,0|3,0,0]=4 2580 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,0,0,0,0,0|3,0,0]=4 2581 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,0,0,0,0,0|2,0,0]=3 2582 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,0,0,0,0,0|2,0,0]=3 2583 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,0,0,0,0,0|2,0,0]=3 2584 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,0,0,0,0,0|2,0,0]=3 2585 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [1,0,0,0,0,0|3,0,0]=4 2586 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [1,0,0,0,0,0|3,0,0]=4 2587 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [1,0,0,0,0,0|3,0,0]=4 2588 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,0,0,0,0,0|2,0,1]=4 2589 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|1,0,2]=4 2590 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,0]=3 2591 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|1,0,0]=2 2592 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|1,0,0]=2 2593 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|1,0,0]=2 2594 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,0]=3 2595 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,0]=3 2596 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,0,0,0,0,0|3,0,0]=4 2597 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,0,0,0,0,0|3,0,0]=4 2598 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,0,0,0,0,0|3,0,0]=4 2599 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [1,0,0,0,0,0|2,0,1]=4 2600 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2601 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2602 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2603 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2604 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2605 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|2,0,0]=3 2606 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2607 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2608 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|1,0,0]=2 2609 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,0]=3 2610 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2611 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2612 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,0,0,0,0,0|3,0,0]=4 2613 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|2,0,0]=3 2614 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|2,0,0]=3 2615 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|2,0,0]=3 2616 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|2,0,0]=3 2617 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,0,0,0,0,0|3,0,0]=4 2618 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,0,0,0,0,0|3,0,0]=4 2619 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,0,0,0,0,0|3,0,0]=4 2620 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2621 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2622 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2623 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|3,0,0]=4 2624 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|2,0,0]=3 2625 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|2,0,0]=3 2626 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,0,0,0,0,0|3,0,0]=4 2627 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,0,0,0,0,0|3,0,0]=4 2628 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,0,0,0,0,0|3,0,0]=4 2629 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|2,0,0]=3 2630 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|2,0,0]=3 2631 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,0,0,0,0,0|3,0,0]=4 2632 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,0,0,0,0,0|3,0,0]=4 2633 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,0,0,0,0,0|3,0,0]=4 2634 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,0,0,0,0,0|3,0,0]=4 2635 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,0,0,0,0,0|3,0,0]=4 2636 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2637 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,0,0,0,0,0|3,0,0]=4 2638 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2639 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|2,0,0]=3 2640 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|2,0,0]=3 2641 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,0,0,0,0,0|3,0,0]=4 2642 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,0,0,0,0,0|3,0,0]=4 2643 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,0,0,0,0,0|3,0,0]=4 2644 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,0,0,0,0,0|3,0,0]=4 2645 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,0,0,0,0,0|3,0,0]=4 2646 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,0,0,0,0,0|3,0,0]=4 2647 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|3,0,0]=4 2648 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|3,0,0]=4 2649 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2650 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|3,0,0]=4 2651 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2652 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|3,0,0]=4 2653 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|2,0,0]=3 2654 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|2,0,0]=3 2655 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,0,0,0,0,0|3,0,0]=4 2656 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,0,0,0,0,0|3,0,0]=4 2657 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,0,0,0,0,0|3,0,0]=4 2658 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,0,0,0,0,0|3,0,0]=4 2659 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,0,0,0,0,0|3,0,0]=4 2660 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,0,0,0,0,0|3,0,0]=4 2661 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,0,0,0,0,0|3,0,0]=4 2662 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,0,0,0,0,0|3,0,0]=4 2663 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|3,0,0]=4 2664 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|3,0,0]=4 2665 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|3,0,0]=4 2666 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|3,0,0]=4 2667 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|3,0,0]=4 2668 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|3,0,0]=4 2669 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|3,0,0]=4 2670 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|3,0,0]=4 2671 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|3,0,0]=4 2672 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|3,0,0]=4 2673 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|3,0,0]=4 2674 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,0,0,0,0,0|3,0,0]=4 2675 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,0,0,0,0,0|3,0,0]=4 2676 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,0,0,0,0,0|3,0,0]=4 2677 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,0,0,0,0,0|3,0,0]=4 2678 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,0,0,0,0,0|3,0,0]=4 2679 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,0,0,0,0,0|3,0,0]=4 2680 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,0,0,0,0,0|3,0,0]=4 2681 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,0,0,0,0,0|3,0,0]=4 2682 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,0,0,0,0,0|3,0,0]=4 2683 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,0,0,0,0,0|3,0,0]=4 2684 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|2,0,0]=3 2685 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|2,0,0]=3 2686 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,0,0,0,0,0|3,0,0]=4 2687 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,0,0,0,0,0|3,0,0]=4 2688 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,0,0,0,0,0|3,0,0]=4 2689 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,0,0,0,0,0|3,0,0]=4 2690 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,0,0,0,0,0|3,0,0]=4 2691 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,0,0,0,0,0|3,0,0]=4 2692 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,0,0,0,0,0|3,0,0]=4 2693 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,0,0,0,0,0|3,0,0]=4 2694 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|2,0,0]=3 2695 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|2,0,0]=3 2696 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,0,0,0,0,0|3,0,0]=4 2697 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,0,0,0,0,0|3,0,0]=4 2698 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,0,0,0,0,0|3,0,0]=4 2699 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,0,0,0,0,0|3,0,0]=4 2700 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,0,0,0,0,0|2,0,1]=4 2701 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,0,0,0,0,0|2,0,1]=4 2702 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|1,0,2]=4 2703 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|1,0,2]=4 2704 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|2,0,0]=3 2705 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|2,0,0]=3 2706 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|1,0,0]=2 2707 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|1,0,0]=2 2708 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2709 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2710 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,0,0,0,0,0|2,0,0]=3 2711 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,0,0,0,0,0|2,0,0]=3 2712 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,0,0,0,0,0|3,0,0]=4 2713 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,0,0,0,0,0|3,0,0]=4 2714 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2715 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2716 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,0,0,0,0,0|2,0,0]=3 2717 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,0,0,0,0,0|3,0,0]=4 2718 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,0,0,0,0,0|3,0,0]=4 2719 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [1,0,0,0,0,0|3,0,0]=4 2720 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [1,0,0,0,0,0|3,0,0]=4 2721 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,0,0,0,0,0|3,0,0]=4 2722 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,0,0,0,0,0|3,0,0]=4 2723 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2724 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,0,0,0,0,0|3,0,0]=4 2725 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2726 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,0,0,0,0,0|3,0,0]=4 2727 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,0,0,0,0,0|2,0,0]=3 2728 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,0,0,0,0,0|2,0,0]=3 2729 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,0,0,0,0,0|3,0,0]=4 2730 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,0,0,0,0,0|3,0,0]=4 2731 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,0,0,0,0,0|3,0,0]=4 2732 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,0,0,0,0,0|3,0,0]=4 2733 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,0,0,0,0,0|3,0,0]=4 2734 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [1,0,0,0,0,0|3,0,0]=4 2735 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [1,0,0,0,0,0|3,0,0]=4 2736 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [1,0,0,0,0,0|3,0,0]=4 2737 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [1,0,0,0,0,0|3,0,0]=4 2738 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,0,0,0,0,0|3,0,0]=4 2739 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,0,0,0,0,0|3,0,0]=4 2740 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,0,0,0,0,0|2,0,0]=3 2741 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,0,0,0,0,0|2,0,0]=3 2742 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,0,0,0,0,0|3,0,0]=4 2743 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,0,0,0,0,0|3,0,0]=4 2744 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [1,0,0,0,0,0|3,0,0]=4 2745 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [1,0,0,0,0,0|3,0,0]=4 2746 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2747 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2748 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|1,0,0]=2 2749 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|1,0,0]=2 2750 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|1,0,0]=2 2751 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|1,0,0]=2 2752 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|1,0,0]=2 2753 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,0,0]=3 2754 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,0,0]=3 2755 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,0,0]=3 2756 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|3,0,0]=4 2757 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,0,0,0,0,0|3,0,0]=4 2758 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,0,0,0,0,0|2,0,0]=3 2759 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,0,0,0,0,0|2,0,0]=3 2760 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,0,0,0,0,0|2,0,0]=3 2761 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [1,0,0,0,0,0|3,0,0]=4 2762 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [1,0,0,0,0,0|3,0,0]=4 2763 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [1,0,0,0,0,0|3,0,0]=4 2764 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [1,0,0,0,0,0|3,0,0]=4 2765 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [1,0,0,0,0,0|3,0,0]=4 2766 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [1,0,0,0,0,0|3,0,0]=4 2767 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [1,0,0,0,0,0|3,0,0]=4 2768 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2769 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2770 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 2771 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|1,0,0]=2 2772 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|2,0,0]=3 2773 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|2,0,0]=3 2774 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|2,0,0]=3 2775 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|2,0,0]=3 2776 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|2,0,0]=3 2777 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|2,0,0]=3 2778 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|2,0,0]=3 2779 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|2,0,0]=3 2780 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|2,0,0]=3 2781 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,0,0,0,0,0|3,0,0]=4 2782 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,0,0,0,0,0|3,0,0]=4 2783 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,0,0,0,0,0|2,0,0]=3 2784 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,0,0,0,0,0|2,0,0]=3 2785 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,0,0,0,0,0|3,0,0]=4 2786 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,0,0,0,0,0|3,0,0]=4 2787 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,0,0,0,0,0|3,0,0]=4 2788 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|2,0,0]=3 2789 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,0,0,0,0,0|3,0,0]=4 2790 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,0,0,0,0,0|3,0,0]=4 2791 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,0,0,0,0,0|3,0,0]=4 2792 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,0,0,0,0,0|2,0,0]=3 2793 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,0,0,0,0,0|2,0,0]=3 2794 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [1,0,0,0,0,0|3,0,0]=4 2795 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [1,0,0,0,0,0|3,0,0]=4 2796 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,0,0,0,0,0|3,0,0]=4 2797 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,0,0,0,0,0|3,0,0]=4 2798 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,0,0,0,0,0|3,0,0]=4 2799 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,0,0,0,0,0|3,0,0]=4 2800 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,0,0,0,0,0|3,0,0]=4 2801 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,0,0,0,0,0|2,0,0]=3 2802 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [1,0,0,0,0,0|3,0,0]=4 2803 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [1,0,0,0,0,0|3,0,0]=4 2804 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [1,0,0,0,0,0|3,0,0]=4 2805 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [1,0,0,0,0,0|3,0,0]=4 2806 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,0,0,0,0,0|3,0,0]=4 2807 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,0,0,0,0,0|3,0,0]=4 2808 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,0,0,0,0,0|3,0,0]=4 2809 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,0,0,0,0,0|3,0,0]=4 2810 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,0,0,0,0,0|3,0,0]=4 2811 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 2812 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|2,0,0]=3 2813 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [1,0,0,0,0,0|3,0,0]=4 2814 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [1,0,0,0,0,0|3,0,0]=4 2815 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [1,0,0,0,0,0|3,0,0]=4 2816 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,0,0,0,0,0|3,0,0]=4 2817 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,0,0,0,0,0|3,0,0]=4 2818 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,0,0,0,0,0|3,0,0]=4 2819 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,0,0,0,0,0|3,0,0]=4 2820 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,0,0,0,0,0|3,0,0]=4 2821 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,0,0,0,0,0|2,0,0]=3 2822 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,0,0,0,0,0|2,0,0]=3 2823 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [1,0,0,0,0,0|3,0,0]=4 2824 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [1,0,0,0,0,0|3,0,0]=4 2825 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [1,0,0,0,0,0|3,0,0]=4 2826 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [1,0,0,0,0,0|3,0,0]=4 2827 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,0,0,0,0,0|3,0,0]=4 2828 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,0,0,0,0,0|2,0,0]=3 2829 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,0,0,0,0,0|2,0,0]=3 2830 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,0,0,0,0,0|2,0,0]=3 2831 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [1,0,0,0,0,0|3,0,0]=4 2832 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,0,0,0,0,0|3,0,0]=4 2833 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,0,0,0,0,0|3,0,0]=4 2834 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,0,0,0,0,0|3,0,0]=4 2835 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,0,0,0,0,0|3,0,0]=4 2836 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,0,0,0,0,0|3,0,0]=4 2837 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,0,0,0,0,0|3,0,0]=4 2838 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,0,0,0,0,0|3,0,0]=4 2839 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,0,0,0,0,0|3,0,0]=4 2840 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|2,0,0]=3 2841 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [1,0,0,0,0,0|3,0,0]=4 2842 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [1,0,0,0,0,0|3,0,0]=4 2843 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,0,0,0,0,0|3,0,0]=4 2844 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,0,0,0,0,0|3,0,0]=4 2845 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,0,0,0,0,0|3,0,0]=4 2846 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,0,0,0,0,0|3,0,0]=4 2847 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,0,0,0,0,0|3,0,0]=4 2848 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,0,0,0,0,0|3,0,0]=4 2849 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [1,0,0,0,0,0|3,0,0]=4 2850 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [1,0,0,0,0,0|3,0,0]=4 2851 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [1,0,0,0,0,0|3,0,0]=4 2852 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,0,0,0,0,0|3,0,0]=4 2853 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,0,0,0,0,0|3,0,0]=4 2854 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,0,0,0,0,0|2,0,0]=3 2855 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,0,0,0,0,0|2,0,0]=3 2856 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,0,0,0,0,0|2,0,0]=3 2857 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [1,0,0,0,0,0|3,0,0]=4 2858 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [1,0,0,0,0,0|3,0,0]=4 2859 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,0,0,0,0,0|3,0,0]=4 2860 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,0,0,0,0,0|3,0,0]=4 2861 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,0,0,0,0,0|2,0,0]=3 2862 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,0,0,0,0,0|2,0,0]=3 2863 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [1,0,0,0,0,0|3,0,0]=4 2864 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [1,0,0,0,0,0|3,0,0]=4 2865 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2866 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|2,0,1]=4 2867 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|1,0,0]=2 2868 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|1,0,0]=2 2869 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,0,0,0,0,0|3,0,0]=4 2870 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,0,0,0,0,0|3,0,0]=4 2871 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|2,0,0]=3 2872 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|2,0,0]=3 2873 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,0,0,0,0,0|3,0,0]=4 2874 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,0,0,0,0,0|3,0,0]=4 2875 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,0,0,0,0,0|2,0,0]=3 2876 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [1,0,0,0,0,0|3,0,0]=4 2877 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,0,0,0,0,0|3,0,0]=4 2878 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,0,0,0,0,0|3,0,0]=4 2879 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|2,0,0]=3 2880 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|2,0,0]=3 2881 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [1,0,0,0,0,0|3,0,0]=4 2882 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [1,0,0,0,0,0|3,0,0]=4 2883 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,0,0,0,0,0|3,0,0]=4 2884 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,0,0,0,0,0|2,0,0]=3 2885 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,0,0,0,0,0|2,0,0]=3 2886 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,0,0,0,0,0|2,0,0]=3 2887 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,0,0,0,0,0|3,0,0]=4 2888 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,0,0,0,0,0|3,0,0]=4 2889 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,0,0,0,0,0|3,0,0]=4 2890 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,0,0,0,0,0|3,0,0]=4 2891 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,0,0,0,0,0|3,0,0]=4 2892 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,0,0,0,0,0|3,0,0]=4 2893 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,0,0,0,0,0|3,0,0]=4 2894 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,0,0,0,0,0|3,0,0]=4 2895 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,0,0,0,0,0|3,0,0]=4 2896 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|2,0,0]=3 2897 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|2,0,0]=3 2898 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,0,0,0,0,0|3,0,0]=4 2899 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,0,0,0,0,0|3,0,0]=4 2900 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,0,0,0,0,0|2,0,0]=3 2901 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,0,0,0,0,0|2,0,0]=3 2902 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,0,0,0,0,0|2,0,0]=3 2903 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,0,0,0,0,0|2,0,0]=3 2904 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [1,0,0,0,0,0|3,0,0]=4 2905 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [1,0,0,0,0,0|3,0,0]=4 2906 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [1,0,0,0,0,0|3,0,0]=4 2907 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,0,0,0,0,0|3,0,0]=4 2908 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,0,0,0,0,0|3,0,0]=4 2909 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,0,0,0,0,0|3,0,0]=4 2910 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,0,0,0,0,0|3,0,0]=4 2911 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,0,0,0,0,0|3,0,0]=4 2912 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,0,0,0,0,0|3,0,0]=4 2913 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,0,0,0,0,0|2,0,0]=3 2914 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,0,0,0,0,0|2,0,0]=3 2915 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [1,0,0,0,0,0|3,0,0]=4 2916 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [1,0,0,0,0,0|3,0,0]=4 2917 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2918 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2919 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,0,0,0,0,0|3,0,0]=4 2920 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,0,0,0,0,0|3,0,0]=4 2921 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [1,0,0,0,0,0|3,0,0]=4 2922 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,0,0,0,0,0|3,0,0]=4 2923 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [1,0,0,0,0,0|3,0,0]=4 2924 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [1,0,0,0,0,0|3,0,0]=4 2925 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [1,0,0,0,0,0|3,0,0]=4 2926 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [1,0,0,0,0,0|3,0,0]=4 2927 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [1,0,0,0,0,0|3,0,0]=4 2928 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [1,0,0,0,0,0|3,0,0]=4 2929 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [1,0,0,0,0,0|3,0,0]=4 2930 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [1,0,0,0,0,0|3,0,0]=4 2931 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [1,0,0,0,0,0|3,0,0]=4 2932 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [1,0,0,0,0,0|3,0,0]=4 2933 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [1,0,0,0,0,0|3,0,0]=4 2934 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [1,0,0,0,0,0|3,0,0]=4 2935 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2936 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2937 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [1,0,0,0,0,0|3,0,0]=4 2938 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,0,0,0,0,0|3,0,0]=4 2939 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,0,0,0,0,0|3,0,0]=4 2940 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2941 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2942 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,0,0,0,0,0|3,0,0]=4 2943 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,0,0,0,0,0|3,0,0]=4 2944 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2945 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2946 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2947 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2948 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [1,0,0,0,0,0|2,0,1]=4 2949 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [1,0,0,0,0,0|2,0,1]=4 2950 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [1,0,0,0,0,0|2,0,1]=4 2951 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [1,0,0,0,0,0|2,0,1]=4 2952 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [1,0,0,0,0,0|2,0,1]=4 2953 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [1,0,0,0,0,0|2,0,1]=4 2954 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [1,0,0,0,0,0|2,0,1]=4 2955 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [1,0,0,0,0,0|2,0,1]=4 2956 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [1,0,0,0,0,0|2,0,1]=4 2957 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [1,0,0,0,0,0|2,0,1]=4 2958 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [1,0,0,0,0,0|2,0,1]=4 2959 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 2960 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|3,0,0]=4 2961 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,0]=3 2962 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|3,0,0]=4 2963 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,0]=3 2964 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,0,0,0,0,0|3,0,0]=4 2965 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,0,0,0,0,0|2,0,0]=3 2966 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,0,0,0,0,0|3,0,0]=4 2967 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,0,0,0,0|2,0,0]=3 2968 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [1,0,0,0,0,0|3,0,0]=4 2969 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [1,0,0,0,0,0|3,0,0]=4 2970 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [1,0,0,0,0,0|3,0,0]=4 2971 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,0,0,0,0,0|2,0,1]=4 2972 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,0,0,0,0,0|2,0,1]=4 2973 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,0,0,0,0,0|2,0,1]=4 2974 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,0,0,0,0,0|2,0,1]=4 2975 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,0,0,0,0,0|2,0,1]=4 2976 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|2,0,1]=4 2977 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 2978 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|2,0,1]=4 2979 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|2,0,1]=4 2980 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,0,0,0,0,0|2,0,0]=3 2981 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,0,0,0,0,0|2,0,0]=3 2982 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,0,0,0,0,0|2,0,0]=3 2983 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,0,0,0,0,0|2,0,0]=3 2984 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,0,0,0,0,0|2,0,0]=3 2985 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|2,0,0]=3 2986 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,0,0,0,0,0|2,0,0]=3 2987 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,0,0,0,0,0|2,0,0]=3 2988 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,0]=3 2989 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,0,0,0,0,0|2,0,0]=3 2990 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,0,0,0,0,0|2,0,0]=3 2991 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,0,0,0,0,0|2,0,0]=3 2992 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,0,0,0,0,0|2,0,0]=3 2993 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,0,0,0,0,0|2,0,0]=3 2994 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,0,0,0,0,0|2,0,0]=3 2995 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,0,0,0,0,0|2,0,0]=3 2996 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,0,0,0,0,0|2,0,0]=3 2997 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|2,0,0]=3 2998 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,0,0,0,0,0|2,0,0]=3 2999 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,0,0,0,0,0|2,0,0]=3 3000 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,0]=3 3001 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,0,0,0,0,0|2,0,0]=3 3002 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,0,0,0,0,0|2,0,0]=3 3003 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,0,0,0,0,0|2,0,0]=3 3004 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,0,0,0,0,0|2,0,0]=3 3005 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,0,0,0,0,0|2,0,0]=3 3006 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,0,0,0,0,0|2,0,0]=3 3007 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,0,0,0,0,0|2,0,0]=3 3008 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,0,0,0,0,0|2,0,0]=3 3009 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,0,0,0,0,0|2,0,0]=3 3010 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,0,0,0,0,0|2,0,0]=3 3011 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,0,0,0,0,0|2,0,0]=3 3012 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,0,0,0,0,0|2,0,0]=3 3013 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,0,0,0,0,0|2,0,0]=3 3014 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,0,0,0,0,0|2,0,0]=3 3015 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,0,0,0,0,0|2,0,0]=3 3016 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,0,0,0,0,0|2,0,0]=3 3017 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,0,0,0,0,0|2,0,0]=3 3018 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [1,0,0,0,0,0|3,0,0]=4 3019 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [1,0,0,0,0,0|3,0,0]=4 3020 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [1,0,0,0,0,0|3,0,0]=4 3021 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [1,0,0,0,0,0|3,0,0]=4 3022 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [1,0,0,0,0,0|3,0,0]=4 3023 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,0,0,0,0,0|2,0,0]=3 3024 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,0,0,0,0,0|2,0,0]=3 3025 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,0,0,0,0,0|2,0,0]=3 3026 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,0,0,0,0,0|2,0,0]=3 3027 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,0,0,0,0,0|2,0,0]=3 3028 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,0,0,0,0,0|2,0,0]=3 3029 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [1,0,0,0,0,0|3,0,0]=4 3030 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [1,0,0,0,0,0|3,0,0]=4 3031 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [1,0,0,0,0,0|3,0,0]=4 3032 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [1,0,0,0,0,0|3,0,0]=4 3033 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [1,0,0,0,0,0|3,0,0]=4 3034 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [1,0,0,0,0,0|3,0,0]=4 3035 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [1,0,0,0,0,0|3,0,0]=4 3036 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [1,0,0,0,0,0|3,0,0]=4 3037 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [1,0,0,0,0,0|3,0,0]=4 3038 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [1,0,0,0,0,0|3,0,0]=4 3039 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [1,0,0,0,0,0|3,0,0]=4 3040 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [1,0,0,0,0,0|3,0,0]=4 3041 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [1,0,0,0,0,0|3,0,0]=4 3042 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [1,0,0,0,0,0|3,0,0]=4 3043 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [1,0,0,0,0,0|3,0,0]=4 3044 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [1,0,0,0,0,0|3,0,0]=4 3045 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,0,0,0,0,0|2,0,0]=3 3046 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,0,0,0,0,0|2,0,0]=3 3047 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [1,0,0,0,0,0|3,0,0]=4 3048 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|1,0,0]=2 3049 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|1,0,0]=2 3050 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,0,0,0,0,0|2,0,0]=3 3051 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,0,0,0,0,0|2,0,0]=3 3052 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 3053 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 3054 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 3055 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 3056 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|2,0,1]=4 3057 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|2,0,1]=4 3058 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|1,0,0]=2 3059 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|1,0,0]=2 3060 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,1,0,0,0,0|0,0,2]=3 3061 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,1,0,0,0,0|0,0,2]=3 3062 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,1,0,0,0,0|0,0,2]=3 3063 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,1,0,0,0,0|0,0,2]=3 3064 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,1,0,0,0,0|1,0,1]=3 3065 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,1,0,0,0,0|1,0,1]=3 3066 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,1,0,0,0,0|1,0,1]=3 3067 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,1,0,0,0,0|1,0,1]=3 3068 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,1,0,0,0,0|1,0,2]=4 3069 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,1,0,0,0,0|1,0,2]=4 3070 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,1,0,0,0,0|1,0,1]=3 3071 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,1,0,0,0,0|1,0,1]=3 3072 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,1,0,0,0,0|1,0,2]=4 3073 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,1,0,0,0,0|1,0,2]=4 3074 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,1,0,0,0,0|1,0,2]=4 3075 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,1,0,0,0,0|0,0,2]=3 3076 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,1,0,0,0,0|0,0,2]=3 3077 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,1,0,0,0,0|1,0,2]=4 3078 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,1,0,0,0,0|1,0,1]=3 3079 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,1,0,0,0,0|1,0,1]=3 3080 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,1,0,0,0,0|1,0,1]=3 3081 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,1,0,0,0,0|1,0,2]=4 3082 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,1,0,0,0,0|1,0,2]=4 3083 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,1,0,0,0,0|1,0,2]=4 3084 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,1,0,0,0,0|0,0,2]=3 3085 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,1,0,0,0,0|0,0,2]=3 3086 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,1,0,0,0,0|2,0,1]=4 3087 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,1,0,0,0,0|1,0,1]=3 3088 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,1,0,0,0,0|1,0,1]=3 3089 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,1,0,0,0,0|1,0,2]=4 3090 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,1,0,0,0,0|1,0,2]=4 3091 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,1,0,0,0,0|0,0,2]=3 3092 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,1,0,0,0,0|0,0,2]=3 3093 B11R0.3 C#CCCCCCCSCOC 62a_100000766300_100012276617 [0,1,0,0,0,0|1,0,2]=4 3094 B11R0.3 C#CCCCCCCSCOC 62a_100012276617_100000766300 [0,1,0,0,0,0|1,0,2]=4 3095 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,1,0,0,0,0|2,0,1]=4 3096 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,1,0,0,0,0|2,0,1]=4 3097 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,1,0,0,0,0|1,0,1]=3 3098 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,1,0,0,0,0|1,0,1]=3 3099 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,1,0,0,0,0|1,0,2]=4 3100 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,1,0,0,0,0|1,0,2]=4 3101 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,1,0,0,0,0|1,0,2]=4 3102 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,1,0,0,0,0|2,0,1]=4 3103 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,1,0,0,0,0|1,0,2]=4 3104 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,1,0,0,0,0|1,0,1]=3 3105 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,1,0,0,0,0|1,0,1]=3 3106 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,1,0,0,0,0|1,0,1]=3 3107 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,1,0,0,0,0|1,0,1]=3 3108 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,1,0,0,0,0|1,0,2]=4 3109 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,1,0,0,0,0|1,0,2]=4 3110 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,1,0,0,0,0|1,0,2]=4 3111 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,1,0,0,0,0|0,0,2]=3 3114 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,1,0,0,0,0|0,0,2]=3 3115 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,1,0,0,0,0|1,0,2]=4 3116 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,1,0,0,0,0|1,0,2]=4 3117 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,1,0,0,0,0|1,0,2]=4 3118 B11R0.3 C#CCCCCCOCCON 34a_100000700252_100012094781 [0,1,0,0,0,0|1,0,2]=4 3119 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,1,0,0,0,0|2,0,1]=4 3120 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,1,0,0,0,0|2,0,1]=4 3121 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,1,0,0,0,0|2,0,1]=4 3122 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,1,0,0,0,0|2,0,1]=4 3123 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,1,0,0,0,0|1,0,1]=3 3124 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,1,0,0,0,0|1,0,1]=3 3125 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,1,0,0,0,0|1,0,2]=4 3126 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,1,0,0,0,0|1,0,2]=4 3127 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,1,0,0,0,0|0,0,2]=3 3128 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,1,0,0,0,0|0,0,2]=3 3129 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,1,0,0,0,0|1,0,2]=4 3130 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,1,0,0,0,0|1,0,2]=4 3131 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,1,0,0,0,0|2,0,1]=4 3132 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,1,0,0,0,0|2,0,1]=4 3133 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,1,0,0,0,0|2,0,1]=4 3135 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,1,0,0,0,0|1,0,1]=3 3136 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,1,0,0,0,0|1,0,1]=3 3137 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,1,0,0,0,0|1,0,1]=3 3138 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,1,0,0,0,0|1,0,2]=4 3139 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,1,0,0,0,0|1,0,2]=4 3140 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,1,0,0,0,0|0,0,2]=3 3141 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,1,0,0,0,0|0,0,2]=3 3142 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,1,0,0,0,0|0,0,2]=3 3143 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,1,0,0,0,0|0,0,2]=3 3144 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,1,0,0,0,0|1,0,2]=4 3145 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,1,0,0,0,0|1,0,2]=4 3146 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,1,0,0,0,0|1,0,2]=4 3147 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,1,0,0,0,0|2,0,1]=4 3148 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,1,0,0,0,0|2,0,1]=4 3149 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,1,0,0,0,0|2,0,1]=4 3150 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,1,0,0,0,0|2,0,1]=4 3151 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,1,0,0,0,0|2,0,1]=4 3152 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,1,0,0,0,0|2,0,1]=4 3153 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,1,0,0,0,0|2,0,1]=4 3154 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,1,0,0,0,0|2,0,1]=4 3155 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,1,0,0,0,0|1,0,2]=4 3156 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,1,0,0,0,0|1,0,1]=3 3157 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,1,0,0,0,0|1,0,1]=3 3158 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,1,0,0,0,0|1,0,1]=3 3159 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,1,0,0,0,0|1,0,1]=3 3160 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,1,0,0,0,0|1,0,2]=4 3161 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,1,0,0,0,0|1,0,2]=4 3162 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,1,0,0,0,0|1,0,2]=4 3163 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,1,0,0,0,0|1,0,2]=4 3164 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,1,0,0,0,0|1,0,2]=4 3165 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,1,0,0,0,0|1,0,2]=4 3166 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,1,0,0,0,0|1,0,2]=4 3167 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,1,0,0,0,0|1,0,2]=4 3168 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,1,0,0,0,0|0,0,2]=3 3169 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,1,0,0,0,0|0,0,2]=3 3170 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,1,0,0,0,0|1,0,2]=4 3172 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,1,0,0,0,0|1,0,2]=4 3173 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,1,0,0,0,0|1,0,2]=4 3174 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,1,0,0,0,0|2,0,1]=4 3175 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,1,0,0,0,0|2,0,1]=4 3176 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,1,0,0,0,0|2,0,1]=4 3177 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,1,0,0,0,0|2,0,1]=4 3178 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,1,0,0,0,0|2,0,1]=4 3179 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,1,0,0,0,0|2,0,1]=4 3180 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,1,0,0,0,0|2,0,1]=4 3181 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,1,0,0,0,0|2,0,1]=4 3182 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,1,0,0,0,0|2,0,1]=4 3183 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,1,0,0,0,0|2,0,1]=4 3184 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,1,0,0,0,0|1,0,1]=3 3185 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,1,0,0,0,0|1,0,1]=3 3186 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,1,0,0,0,0|1,0,2]=4 3187 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,1,0,0,0,0|1,0,2]=4 3188 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,1,0,0,0,0|0,0,2]=3 3189 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,1,0,0,0,0|0,0,2]=3 3190 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,1,0,0,0,0|1,0,2]=4 3191 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,1,0,0,0,0|1,0,2]=4 3192 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,1,0,0,0,0|2,0,1]=4 3193 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,1,0,0,0,0|2,0,1]=4 3194 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,1,0,0,0,0|2,0,1]=4 3195 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,1,0,0,0,0|2,0,1]=4 3196 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,1,0,0,0,0|1,0,1]=3 3197 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,1,0,0,0,0|1,0,1]=3 3198 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,1,0,0,0,0|1,0,2]=4 3199 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,1,0,0,0,0|0,0,2]=3 3200 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,1,0,0,0,0|0,0,2]=3 3201 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,1,0,0,0,0|0,0,2]=3 3202 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,1,0,0,0,0|1,0,2]=4 3203 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,1,0,0,0,0|2,0,1]=4 3204 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,1,0,0,0,0|2,0,1]=4 3205 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,1,0,0,0,0|2,0,1]=4 3206 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,1,0,0,0,0|2,0,1]=4 3208 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,1,0,0,0,0|2,0,1]=4 3209 B11R0.3 C#CCCCNCCOCCO 2230a_100000211614_100000731252 [0,1,0,0,0,0|1,0,2]=4 3210 B11R0.3 C#CCCCNCCOCCO 34a_100000211614_100000695029 [0,1,0,0,0,0|1,0,2]=4 3211 B11R0.3 C#CCCCNCCOCCO 34a_100000718082_100000692535 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,1,0,0,0,0|2,0,1]=4 3213 B11R0.3 C#CCCCNCCSCCO 2230a_100011219999_100000731252 [0,1,0,0,0,0|1,0,2]=4 3214 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,1,0,0,0,0|2,0,1]=4 3215 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,1,0,0,0,0|1,0,2]=4 3216 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,1,0,0,0,0|1,0,2]=4 3217 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,1,0,0,0,0|1,0,1]=3 3218 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,1,0,0,0,0|1,0,1]=3 3219 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,1,0,0,0,0|1,0,1]=3 3220 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,1,0,0,0,0|1,0,1]=3 3221 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,1,0,0,0,0|1,0,2]=4 3222 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,1,0,0,0,0|1,0,2]=4 3223 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,1,0,0,0,0|1,0,2]=4 3224 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,1,0,0,0,0|1,0,2]=4 3225 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,1,0,0,0,0|1,0,2]=4 3226 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,1,0,0,0,0|1,0,2]=4 3227 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,1,0,0,0,0|1,0,2]=4 3228 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,1,0,0,0,0|0,0,2]=3 3229 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,1,0,0,0,0|0,0,2]=3 3230 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,1,0,0,0,0|1,0,2]=4 3231 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,1,0,0,0,0|1,0,2]=4 3232 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,1,0,0,0,0|1,0,2]=4 3233 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,1,0,0,0,0|2,0,1]=4 3234 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,1,0,0,0,0|2,0,1]=4 3235 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,1,0,0,0,0|2,0,1]=4 3236 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,1,0,0,0,0|2,0,1]=4 3237 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,1,0,0,0,0|2,0,1]=4 3238 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,1,0,0,0,0|2,0,1]=4 3239 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,1,0,0,0,0|2,0,1]=4 3240 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,1,0,0,0,0|2,0,1]=4 3241 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,1,0,0,0,0|2,0,1]=4 3242 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,1,0,0,0,0|2,0,1]=4 3243 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,1,0,0,0,0|2,0,1]=4 3244 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,1,0,0,0,0|2,0,1]=4 3245 B11R0.3 C#CCCCOCCOCCO 34a_100000215630_100000692535 [0,1,0,0,0,0|1,0,2]=4 3246 B11R0.3 C#CCCCOCCOCCO 7a_100000215630_100011215305 [0,1,0,0,0,0|1,0,2]=4 3247 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,1,0,0,0,0|2,0,1]=4 3248 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,1,0,0,0,0|2,0,1]=4 3249 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,1,0,0,0,0|2,0,1]=4 3250 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,1,0,0,0,0|1,0,1]=3 3251 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,1,0,0,0,0|1,0,1]=3 3252 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,1,0,0,0,0|1,0,2]=4 3253 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,1,0,0,0,0|1,0,2]=4 3254 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,1,0,0,0,0|0,0,2]=3 3255 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,1,0,0,0,0|0,0,2]=3 3256 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,1,0,0,0,0|1,0,2]=4 3257 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,1,0,0,0,0|1,0,2]=4 3258 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,1,0,0,0,0|2,0,1]=4 3259 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,1,0,0,0,0|2,0,1]=4 3260 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,1,0,0,0,0|2,0,1]=4 3261 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,1,0,0,0,0|2,0,1]=4 3262 B11R0.3 C#CCCCSCCOCCO 62a_100011215305_100011215417 [0,1,0,0,0,0|1,0,2]=4 3263 B11R0.3 C#CCCCSCCOCCO 62a_100011215417_100011215305 [0,1,0,0,0,0|1,0,2]=4 3264 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,1,0,0,0,0|2,0,1]=4 3265 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,1,0,0,0,0|2,0,1]=4 3266 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,1,0,0,0,0|1,0,1]=3 3267 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,1,0,0,0,0|1,0,1]=3 3268 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,1,0,0,0,0|1,0,2]=4 3269 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,1,0,0,0,0|0,0,2]=3 3270 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,1,0,0,0,0|0,0,2]=3 3271 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,1,0,0,0,0|0,0,2]=3 3272 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,1,0,0,0,0|1,0,2]=4 3273 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,1,0,0,0,0|1,0,2]=4 3274 B11R0.3 C#CCCNCCCOCCC 2230a_100011217757_100000688953 [0,1,0,0,0,0|2,0,1]=4 3275 B11R0.3 C#CCCNCCCOCCC 34a_100011217757_100000688953 [0,1,0,0,0,0|2,0,1]=4 3276 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,1,0,0,0,0|2,0,1]=4 3277 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,1,0,0,0,0|2,0,1]=4 3278 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,1,0,0,0,0|1,0,2]=4 3279 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,1,0,0,0,0|1,0,2]=4 3280 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,1,0,0,0,0|1,0,1]=3 3281 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,1,0,0,0,0|1,0,1]=3 3282 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,1,0,0,0,0|1,0,1]=3 3283 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,1,0,0,0,0|1,0,2]=4 3284 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,1,0,0,0,0|1,0,2]=4 3285 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,1,0,0,0,0|1,0,2]=4 3286 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,1,0,0,0,0|1,0,2]=4 3287 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,1,0,0,0,0|1,0,2]=4 3288 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,1,0,0,0,0|1,0,2]=4 3289 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,1,0,0,0,0|0,0,2]=3 3290 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,1,0,0,0,0|2,0,1]=4 3291 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3292 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,1,0,0,0,0|2,0,1]=4 3293 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3294 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,1,0,0,0,0|2,0,1]=4 3295 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,1,0,0,0,0|2,0,1]=4 3296 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,1,0,0,0,0|1,0,1]=3 3297 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,1,0,0,0,0|1,0,1]=3 3298 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,1,0,0,0,0|1,0,2]=4 3299 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,1,0,0,0,0|1,0,2]=4 3300 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,1,0,0,0,0|0,0,2]=3 3301 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,1,0,0,0,0|0,0,2]=3 3302 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,1,0,0,0,0|2,0,1]=4 3303 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,1,0,0,0,0|2,0,1]=4 3304 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,1,0,0,0,0|1,0,1]=3 3305 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,1,0,0,0,0|1,0,1]=3 3306 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,1,0,0,0,0|1,0,1]=3 3307 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,1,0,0,0,0|0,0,2]=3 3308 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,1,0,0,0,0|0,0,2]=3 3309 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,1,0,0,0,0|0,0,2]=3 3310 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,1,0,0,0,0|1,0,2]=4 3311 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,1,0,0,0,0|2,0,1]=4 3312 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,1,0,0,0,0|2,0,1]=4 3313 B11R0.3 C#CCNCCCOCCCO 2230a_100011310245_100000038162 [0,1,0,0,0,0|1,0,2]=4 3314 B11R0.3 C#CCNCCCOCCCO 34a_100011310245_100000184674 [0,1,0,0,0,0|1,0,2]=4 3315 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,1,0,0,0,0|1,0,2]=4 3316 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,1,0,0,0,0|1,0,2]=4 3317 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,1,0,0,0,0|1,0,1]=3 3318 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,1,0,0,0,0|1,0,1]=3 3319 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,1,0,0,0,0|1,0,1]=3 3320 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,1,0,0,0,0|1,0,2]=4 3321 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,1,0,0,0,0|0,0,2]=3 3322 B11R0.3 C#CCOCCCCCCOC 34a_100000210247_100011998445 [0,1,0,0,0,0|1,0,2]=4 3323 B11R0.3 C#CCOCCCCCCOC 34a_200011021349_200000210301 [0,1,0,0,0,0|1,0,2]=4 3324 B11R0.3 C#CCOCCCCCCOC 34a_200012092642_100000184674 [0,1,0,0,0,0|1,0,2]=4 3325 B11R0.3 C#CCOCCCCCCOC 7a_200011021349_200000210301 [0,1,0,0,0,0|1,0,2]=4 3326 B11R0.3 C#CCOCCCCCCOC 7a_200012092642_100000038162 [0,1,0,0,0,0|1,0,2]=4 3327 B11R0.3 C#CCOCCCCCCO[13CH3] 34a_200011021349_200025704644 [0,1,0,0,0,0|1,0,2]=4 3328 B11R0.3 C#CCOCCCCCCO[13CH3] 7a_200011021349_200025704644 [0,1,0,0,0,0|1,0,2]=4 3329 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,1,0,0,0,0|2,0,1]=4 3330 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,1,0,0,0,0|2,0,1]=4 3331 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,1,0,0,0,0|2,0,1]=4 3332 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,1,0,0,0,0|2,0,1]=4 3333 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,1,0,0,0,0|2,0,1]=4 3334 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,1,0,0,0,0|2,0,1]=4 3335 B11R0.3 C#CCOCCNCCCCO 2230a_100000700922_100000210776 [0,1,0,0,0,0|1,0,2]=4 3336 B11R0.3 C#CCOCCNCCCCO 2230a_100000750430_100010402529 [0,1,0,0,0,0|1,0,2]=4 3337 B11R0.3 C#CCOCCNCCCCO 34a_100000700922_100011216708 [0,1,0,0,0,0|1,0,2]=4 3338 B11R0.3 C#CCOCCNCCCCO 34a_100000750430_100010402529 [0,1,0,0,0,0|1,0,2]=4 3339 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,1,0,0,0,0|2,0,1]=4 3340 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,1,0,0,0,0|2,0,1]=4 3341 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,1,0,0,0,0|2,0,1]=4 3342 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,1,0,0,0,0|2,0,1]=4 3343 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,1,0,0,0,0|2,0,1]=4 3344 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,1,0,0,0,0|2,0,1]=4 3345 B11R0.3 C#CCOCCOCCCCO 34a_100000054580_100011216708 [0,1,0,0,0,0|1,0,2]=4 3346 B11R0.3 C#CCOCCOCCCCO 7a_100000054580_100000210776 [0,1,0,0,0,0|1,0,2]=4 3347 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,1,0,0,0,0|2,0,1]=4 3348 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,1,0,0,0,0|2,0,1]=4 3349 B11R0.3 C#CCOCCSCCCCO 62a_100000210776_100010402529 [0,1,0,0,0,0|1,0,2]=4 3350 B11R0.3 C#CCOCCSCCCCO 62a_100010402529_100000210776 [0,1,0,0,0,0|1,0,2]=4 3351 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,1,0,0,0,0|1,0,1]=3 3352 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,1,0,0,0,0|0,0,2]=3 3353 B11R0.3 C#CCSCCCCCCOC 62a_100000038162_100011998445 [0,1,0,0,0,0|1,0,2]=4 3354 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,1,0,0,0,0|1,0,2]=4 3355 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,1,0,0,0,0|1,0,2]=4 3356 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,1,0,0,0,0|0,0,2]=3 3357 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,1,0,0,0,0|1,0,2]=4 3358 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,1,0,0,0,0|1,0,2]=4 3359 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,1,0,0,0,0|0,0,2]=3 3360 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,1,0,0,0,0|1,0,2]=4 3361 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,1,0,0,0,0|1,0,2]=4 3362 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,1,0,0,0,0|1,0,2]=4 3363 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,1,0,0,0,0|1,0,2]=4 3364 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,1,0,0,0,0|1,0,2]=4 3365 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,1,0,0,0,0|1,0,2]=4 3366 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,1,0,0,0,0|1,0,2]=4 3367 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,1,0,0,0,0|1,0,2]=4 3368 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,1,0,0,0,0|1,0,2]=4 3369 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,1,0,0,0,0|1,0,2]=4 3370 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,1,0,0,0,0|1,0,2]=4 3371 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,1,0,0,0,0|1,0,2]=4 3372 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,1,0,0,0,0|0,0,2]=3 3373 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,1,0,0,0,0|1,0,2]=4 3374 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,1,0,0,0,0|1,0,2]=4 3375 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,1,0,0,0,0|1,0,2]=4 3376 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,1,0,0,0,0|1,0,2]=4 3377 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,1,0,0,0,0|0,0,2]=3 3378 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,1,0,0,0,0|0,0,2]=3 3379 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,1,0,0,0,0|1,0,1]=3 3380 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,1,0,0,0,0|1,0,1]=3 3381 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,1,0,0,0,0|1,0,1]=3 3382 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,1,0,0,0,0|0,0,2]=3 3383 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,1,0,0,0,0|0,0,2]=3 3384 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,1,0,0,0,0|0,0,2]=3 3385 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,1,0,0,0,0|0,0,2]=3 3386 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,1,0,0,0,0|0,0,2]=3 3387 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,1,0,0,0,0|1,0,1]=3 3388 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,1,0,0,0,0|1,0,1]=3 3389 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,1,0,0,0,0|1,0,1]=3 3390 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,1,0,0,0,0|1,0,1]=3 3391 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,1,0,0,0,0|1,0,1]=3 3392 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,1,0,0,0,0|1,0,1]=3 3393 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,1,0,0,0,0|1,0,1]=3 3394 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,1,0,0,0,0|1,0,1]=3 3395 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,1,0,0,0,0|1,0,2]=4 3396 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,1,0,0,0,0|1,0,2]=4 3397 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,1,0,0,0,0|1,0,1]=3 3398 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,1,0,0,0,0|1,0,1]=3 3399 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,1,0,0,0,0|1,0,2]=4 3400 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,1,0,0,0,0|1,0,2]=4 3401 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,1,0,0,0,0|1,0,2]=4 3402 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,1,0,0,0,0|0,0,2]=3 3403 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,1,0,0,0,0|0,0,2]=3 3404 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,1,0,0,0,0|1,0,2]=4 3405 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,1,0,0,0,0|1,0,1]=3 3406 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,1,0,0,0,0|1,0,1]=3 3407 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,1,0,0,0,0|1,0,1]=3 3408 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,1,0,0,0,0|1,0,2]=4 3409 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,1,0,0,0,0|1,0,2]=4 3410 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,1,0,0,0,0|1,0,2]=4 3411 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,1,0,0,0,0|0,0,2]=3 3412 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,1,0,0,0,0|0,0,2]=3 3413 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,1,0,0,0,0|2,0,1]=4 3414 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,1,0,0,0,0|1,0,1]=3 3415 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,1,0,0,0,0|1,0,1]=3 3416 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,1,0,0,0,0|1,0,2]=4 3417 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,1,0,0,0,0|1,0,2]=4 3418 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,1,0,0,0,0|0,0,2]=3 3419 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,1,0,0,0,0|0,0,2]=3 3420 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,1,0,0,0,0|1,0,2]=4 3421 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,1,0,0,0,0|1,0,2]=4 3422 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,1,0,0,0,0|2,0,1]=4 3423 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,1,0,0,0,0|2,0,1]=4 3424 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,1,0,0,0,0|1,0,1]=3 3425 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,1,0,0,0,0|1,0,1]=3 3426 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,1,0,0,0,0|1,0,2]=4 3427 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,1,0,0,0,0|1,0,2]=4 3428 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,1,0,0,0,0|1,0,2]=4 3429 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,1,0,0,0,0|2,0,1]=4 3430 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,1,0,0,0,0|1,0,2]=4 3431 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,1,0,0,0,0|1,0,1]=3 3432 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,1,0,0,0,0|1,0,1]=3 3433 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,1,0,0,0,0|1,0,1]=3 3434 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,1,0,0,0,0|1,0,1]=3 3435 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,1,0,0,0,0|1,0,2]=4 3436 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,1,0,0,0,0|1,0,2]=4 3437 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,1,0,0,0,0|1,0,2]=4 3438 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,1,0,0,0,0|1,0,2]=4 3439 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,1,0,0,0,0|1,0,2]=4 3440 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,1,0,0,0,0|0,0,2]=3 3441 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,1,0,0,0,0|0,0,2]=3 3442 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,1,0,0,0,0|1,0,2]=4 3443 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,1,0,0,0,0|1,0,2]=4 3444 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,1,0,0,0,0|1,0,2]=4 3445 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,1,0,0,0,0|1,0,2]=4 3446 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,1,0,0,0,0|2,0,1]=4 3447 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,1,0,0,0,0|2,0,1]=4 3448 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,1,0,0,0,0|2,0,1]=4 3449 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,1,0,0,0,0|2,0,1]=4 3450 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,1,0,0,0,0|1,0,1]=3 3451 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,1,0,0,0,0|1,0,1]=3 3452 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,1,0,0,0,0|1,0,2]=4 3453 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,1,0,0,0,0|1,0,2]=4 3454 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,1,0,0,0,0|0,0,2]=3 3455 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,1,0,0,0,0|0,0,2]=3 3456 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,1,0,0,0,0|1,0,2]=4 3457 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,1,0,0,0,0|1,0,2]=4 3458 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,1,0,0,0,0|2,0,1]=4 3459 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,1,0,0,0,0|2,0,1]=4 3460 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,1,0,0,0,0|2,0,1]=4 3461 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,1,0,0,0,0|2,0,1]=4 3462 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,1,0,0,0,0|1,0,1]=3 3463 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,1,0,0,0,0|1,0,1]=3 3464 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,1,0,0,0,0|1,0,1]=3 3465 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,1,0,0,0,0|1,0,2]=4 3466 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,1,0,0,0,0|1,0,2]=4 3467 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,1,0,0,0,0|0,0,2]=3 3468 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,1,0,0,0,0|0,0,2]=3 3469 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,1,0,0,0,0|0,0,2]=3 3470 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,1,0,0,0,0|0,0,2]=3 3471 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,1,0,0,0,0|1,0,2]=4 3472 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,1,0,0,0,0|1,0,2]=4 3473 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,1,0,0,0,0|1,0,2]=4 3474 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,1,0,0,0,0|2,0,1]=4 3475 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,1,0,0,0,0|2,0,1]=4 3476 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,1,0,0,0,0|2,0,1]=4 3477 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,1,0,0,0,0|2,0,1]=4 3478 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,1,0,0,0,0|2,0,1]=4 3479 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,1,0,0,0,0|2,0,1]=4 3480 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,1,0,0,0,0|2,0,1]=4 3481 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,1,0,0,0,0|2,0,1]=4 3482 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,1,0,0,0,0|1,0,2]=4 3483 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,1,0,0,0,0|1,0,1]=3 3484 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,1,0,0,0,0|1,0,1]=3 3485 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,1,0,0,0,0|1,0,1]=3 3486 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,1,0,0,0,0|1,0,1]=3 3487 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,1,0,0,0,0|1,0,2]=4 3488 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,1,0,0,0,0|1,0,2]=4 3489 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,1,0,0,0,0|1,0,2]=4 3490 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,1,0,0,0,0|1,0,2]=4 3491 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,1,0,0,0,0|1,0,2]=4 3492 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,1,0,0,0,0|1,0,2]=4 3493 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,1,0,0,0,0|1,0,2]=4 3494 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,1,0,0,0,0|1,0,2]=4 3495 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,1,0,0,0,0|0,0,2]=3 3496 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,1,0,0,0,0|0,0,2]=3 3497 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,1,0,0,0,0|2,0,1]=4 3498 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,1,0,0,0,0|1,0,2]=4 3499 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,1,0,0,0,0|1,0,2]=4 3500 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,1,0,0,0,0|1,0,2]=4 3501 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,1,0,0,0,0|2,0,1]=4 3502 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,1,0,0,0,0|2,0,1]=4 3503 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,1,0,0,0,0|2,0,1]=4 3504 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,1,0,0,0,0|2,0,1]=4 3505 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,1,0,0,0,0|2,0,1]=4 3506 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,1,0,0,0,0|2,0,1]=4 3507 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,1,0,0,0,0|2,0,1]=4 3508 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,1,0,0,0,0|2,0,1]=4 3509 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,1,0,0,0,0|2,0,1]=4 3510 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,1,0,0,0,0|2,0,1]=4 3511 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,1,0,0,0,0|1,0,1]=3 3512 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,1,0,0,0,0|1,0,1]=3 3513 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,1,0,0,0,0|1,0,2]=4 3514 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,1,0,0,0,0|1,0,2]=4 3515 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,1,0,0,0,0|0,0,2]=3 3516 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,1,0,0,0,0|0,0,2]=3 3517 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,1,0,0,0,0|1,0,2]=4 3518 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,1,0,0,0,0|1,0,2]=4 3519 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,1,0,0,0,0|2,0,1]=4 3520 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,1,0,0,0,0|2,0,1]=4 3521 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,1,0,0,0,0|2,0,1]=4 3522 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,1,0,0,0,0|2,0,1]=4 3523 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,1,0,0,0,0|1,0,1]=3 3524 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,1,0,0,0,0|1,0,1]=3 3525 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,1,0,0,0,0|1,0,1]=3 3526 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,1,0,0,0,0|1,0,2]=4 3527 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,1,0,0,0,0|1,0,2]=4 3528 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,1,0,0,0,0|0,0,2]=3 3529 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,1,0,0,0,0|0,0,2]=3 3530 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,1,0,0,0,0|0,0,2]=3 3531 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,1,0,0,0,0|0,0,2]=3 3532 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,1,0,0,0,0|1,0,2]=4 3533 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,1,0,0,0,0|1,0,2]=4 3534 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,1,0,0,0,0|2,0,1]=4 3535 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,1,0,0,0,0|2,0,1]=4 3536 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,1,0,0,0,0|2,0,1]=4 3537 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,1,0,0,0,0|2,0,1]=4 3538 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,1,0,0,0,0|2,0,1]=4 3539 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,1,0,0,0,0|2,0,1]=4 3540 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,1,0,0,0,0|2,0,1]=4 3541 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,1,0,0,0,0|2,0,1]=4 3542 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,1,0,0,0,0|1,0,2]=4 3543 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,1,0,0,0,0|1,0,2]=4 3544 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,1,0,0,0,0|1,0,2]=4 3545 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,1,0,0,0,0|1,0,2]=4 3546 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,1,0,0,0,0|2,0,1]=4 3547 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,1,0,0,0,0|1,0,2]=4 3548 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,1,0,0,0,0|2,0,1]=4 3549 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,1,0,0,0,0|2,0,1]=4 3550 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,1,0,0,0,0|1,0,2]=4 3551 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,1,0,0,0,0|1,0,2]=4 3552 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,1,0,0,0,0|1,0,1]=3 3553 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,1,0,0,0,0|1,0,1]=3 3554 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,1,0,0,0,0|1,0,1]=3 3555 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,1,0,0,0,0|1,0,1]=3 3556 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,1,0,0,0,0|1,0,2]=4 3557 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,1,0,0,0,0|1,0,2]=4 3558 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,1,0,0,0,0|1,0,2]=4 3559 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,1,0,0,0,0|1,0,2]=4 3560 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,1,0,0,0,0|1,0,2]=4 3561 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,1,0,0,0,0|1,0,2]=4 3562 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,1,0,0,0,0|1,0,2]=4 3563 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,1,0,0,0,0|0,0,2]=3 3564 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,1,0,0,0,0|0,0,2]=3 3565 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,1,0,0,0,0|1,0,2]=4 3566 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,1,0,0,0,0|1,0,2]=4 3567 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,1,0,0,0,0|1,0,2]=4 3568 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,1,0,0,0,0|2,0,1]=4 3569 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,1,0,0,0,0|2,0,1]=4 3570 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,1,0,0,0,0|2,0,1]=4 3571 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,1,0,0,0,0|2,0,1]=4 3572 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,1,0,0,0,0|2,0,1]=4 3573 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,1,0,0,0,0|2,0,1]=4 3574 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,1,0,0,0,0|2,0,1]=4 3575 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,1,0,0,0,0|2,0,1]=4 3576 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,1,0,0,0,0|2,0,1]=4 3577 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,1,0,0,0,0|2,0,1]=4 3578 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,1,0,0,0,0|2,0,1]=4 3579 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,1,0,0,0,0|2,0,1]=4 3580 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,1,0,0,0,0|1,0,2]=4 3581 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,1,0,0,0,0|1,0,2]=4 3582 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,1,0,0,0,0|2,0,1]=4 3583 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,1,0,0,0,0|2,0,1]=4 3584 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,1,0,0,0,0|2,0,1]=4 3585 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,1,0,0,0,0|1,0,1]=3 3586 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,1,0,0,0,0|1,0,1]=3 3587 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,1,0,0,0,0|1,0,2]=4 3588 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,1,0,0,0,0|1,0,2]=4 3589 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,1,0,0,0,0|0,0,2]=3 3590 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,1,0,0,0,0|0,0,2]=3 3591 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,1,0,0,0,0|1,0,2]=4 3592 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,1,0,0,0,0|1,0,2]=4 3593 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,1,0,0,0,0|2,0,1]=4 3594 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,1,0,0,0,0|2,0,1]=4 3595 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,1,0,0,0,0|2,0,1]=4 3596 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,1,0,0,0,0|2,0,1]=4 3597 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,1,0,0,0,0|1,0,2]=4 3598 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,1,0,0,0,0|1,0,2]=4 3599 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,1,0,0,0,0|2,0,1]=4 3600 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,1,0,0,0,0|2,0,1]=4 3601 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,1,0,0,0,0|1,0,1]=3 3602 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,1,0,0,0,0|1,0,1]=3 3603 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,1,0,0,0,0|1,0,2]=4 3604 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,1,0,0,0,0|0,0,2]=3 3605 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,1,0,0,0,0|0,0,2]=3 3606 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,1,0,0,0,0|0,0,2]=3 3607 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,1,0,0,0,0|1,0,2]=4 3608 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,1,0,0,0,0|1,0,2]=4 3609 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,1,0,0,0,0|2,0,1]=4 3610 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,1,0,0,0,0|2,0,1]=4 3611 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,1,0,0,0,0|2,0,1]=4 3612 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,1,0,0,0,0|2,0,1]=4 3613 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,1,0,0,0,0|1,0,2]=4 3614 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,1,0,0,0,0|1,0,2]=4 3615 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,1,0,0,0,0|1,0,1]=3 3616 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,1,0,0,0,0|1,0,1]=3 3617 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,1,0,0,0,0|1,0,1]=3 3618 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,1,0,0,0,0|1,0,2]=4 3619 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,1,0,0,0,0|1,0,2]=4 3620 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,1,0,0,0,0|1,0,2]=4 3621 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,1,0,0,0,0|1,0,2]=4 3622 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,1,0,0,0,0|1,0,2]=4 3623 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,1,0,0,0,0|1,0,2]=4 3624 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,1,0,0,0,0|0,0,2]=3 3625 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,1,0,0,0,0|2,0,1]=4 3626 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,1,0,0,0,0|2,0,1]=4 3627 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,1,0,0,0,0|2,0,1]=4 3628 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,1,0,0,0,0|2,0,1]=4 3629 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,1,0,0,0,0|2,0,1]=4 3630 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,1,0,0,0,0|2,0,1]=4 3631 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,1,0,0,0,0|1,0,1]=3 3632 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,1,0,0,0,0|1,0,1]=3 3633 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,1,0,0,0,0|1,0,2]=4 3634 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,1,0,0,0,0|1,0,2]=4 3635 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,1,0,0,0,0|0,0,2]=3 3636 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,1,0,0,0,0|0,0,2]=3 3637 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,1,0,0,0,0|2,0,1]=4 3638 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,1,0,0,0,0|2,0,1]=4 3639 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,1,0,0,0,0|1,0,1]=3 3640 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,1,0,0,0,0|1,0,1]=3 3641 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,1,0,0,0,0|1,0,1]=3 3642 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,1,0,0,0,0|0,0,2]=3 3643 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,1,0,0,0,0|0,0,2]=3 3644 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,1,0,0,0,0|0,0,2]=3 3645 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,1,0,0,0,0|1,0,2]=4 3646 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,1,0,0,0,0|2,0,1]=4 3647 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,1,0,0,0,0|2,0,1]=4 3648 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,1,0,0,0,0|1,0,2]=4 3649 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,1,0,0,0,0|1,0,2]=4 3650 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,1,0,0,0,0|1,0,2]=4 3651 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,1,0,0,0,0|1,0,2]=4 3652 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,1,0,0,0,0|1,0,1]=3 3653 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,1,0,0,0,0|1,0,1]=3 3654 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,1,0,0,0,0|1,0,1]=3 3655 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,1,0,0,0,0|1,0,2]=4 3656 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,1,0,0,0,0|0,0,2]=3 3657 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,1,0,0,0,0|1,0,2]=4 3658 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,1,0,0,0,0|1,0,2]=4 3659 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,1,0,0,0,0|1,0,2]=4 3660 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,1,0,0,0,0|2,0,1]=4 3661 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,1,0,0,0,0|2,0,1]=4 3662 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,1,0,0,0,0|2,0,1]=4 3663 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,1,0,0,0,0|2,0,1]=4 3664 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,1,0,0,0,0|2,0,1]=4 3665 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,1,0,0,0,0|2,0,1]=4 3666 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,1,0,0,0,0|2,0,1]=4 3667 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,1,0,0,0,0|1,0,2]=4 3668 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,1,0,0,0,0|1,0,2]=4 3669 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,1,0,0,0,0|1,0,1]=3 3670 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,1,0,0,0,0|1,0,1]=3 3671 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,1,0,0,0,0|0,0,2]=3 3672 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,1,0,0,0,0|0,0,2]=3 3673 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,1,0,0,0,0|1,0,2]=4 3674 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,1,0,0,0,0|1,0,2]=4 3675 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,1,0,0,0,0|2,0,1]=4 3676 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,1,0,0,0,0|2,0,1]=4 3677 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,1,0,0,0,0|1,0,2]=4 3678 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,1,0,0,0,0|1,0,2]=4 3679 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,1,0,0,0,0|2,0,1]=4 3680 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,1,0,0,0,0|2,0,1]=4 3681 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,1,0,0,0,0|1,0,2]=4 3682 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,1,0,0,0,0|1,0,2]=4 3683 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,1,0,0,0,0|1,0,2]=4 3685 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,1,0,0,0,0|1,0,2]=4 3686 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,1,0,0,0,0|2,0,1]=4 3687 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,1,0,0,0,0|2,0,1]=4 3688 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,1,0,0,0,0|2,0,1]=4 3689 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,1,0,0,0,0|1,0,2]=4 3690 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,1,0,0,0,0|2,0,1]=4 3691 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,1,0,0,0,0|2,0,1]=4 3692 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,1,0,0,0,0|1,0,2]=4 3693 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,1,0,0,0,0|1,0,2]=4 3694 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,1,0,0,0,0|1,0,2]=4 3695 B11R0.3 CC#CCCOCCCCCF 34a_100000750427_100000729378 [0,1,0,0,0,0|1,0,2]=4 3696 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,1,0,0,0,0|0,0,2]=3 3697 B11R0.3 CC#CCCOCCCCOC 34a_100000750427_100000755781 [0,1,0,0,0,0|1,0,2]=4 3698 B11R0.3 CC#CCCOCCOCCO 34a_100000750427_100000692535 [0,1,0,0,0,0|1,0,2]=4 3699 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,1,0,0,0,0|1,0,2]=4 3700 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,1,0,0,0,0|1,0,2]=4 3701 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,1,0,0,0,0|1,0,2]=4 3702 B11R0.3 CC#CCNCCCCCCF 2230a_100000685387_100015922095 [0,1,0,0,0,0|1,0,2]=4 3703 B11R0.3 CC#CCNCCCCCCF 34a_100000685387_100015922095 [0,1,0,0,0,0|1,0,2]=4 3704 B11R0.3 CC#CCNCCCCCCO 2230a_100000685387_100000766143 [0,1,0,0,0,0|0,0,2]=3 3705 B11R0.3 CC#CCNCCCCCCO 2230a_100000686447_100000748600 [0,1,0,0,0,0|0,0,2]=3 3706 B11R0.3 CC#CCNCCCCCCO 34a_100000685387_100000766143 [0,1,0,0,0,0|0,0,2]=3 3707 B11R0.3 CC#CCNCCCCCCO 34a_100000686447_100000748600 [0,1,0,0,0,0|0,0,2]=3 3708 B11R0.3 CC#CCNCCCCCOC 2230a_100000747528_100000748600 [0,1,0,0,0,0|1,0,2]=4 3709 B11R0.3 CC#CCNCCCCCOC 34a_100000747528_100000748600 [0,1,0,0,0,0|1,0,2]=4 3710 B11R0.3 CC#CCOCCCCCCBr 34a_100011215345_100000748600 [0,1,0,0,0,0|1,0,2]=4 3711 B11R0.3 CC#CCOCCCCCCBr 7a_100011215345_100000748600 [0,1,0,0,0,0|1,0,2]=4 3712 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,1,0,0,0,0|1,0,2]=4 3713 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,1,0,0,0,0|1,0,2]=4 3714 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,1,0,0,0,0|1,0,2]=4 3715 B11R0.3 CC#CCOCCCCCCCl 34a_100000766143_100000748600 [0,1,0,0,0,0|1,0,2]=4 3716 B11R0.3 CC#CCOCCCCCCCl 7a_100000766143_100000748600 [0,1,0,0,0,0|1,0,2]=4 3717 B11R0.3 CC#CCOCCCCCCF 34a_100000732779_100000748600 [0,1,0,0,0,0|1,0,2]=4 3718 B11R0.3 CC#CCOCCCCCCF 34a_100000761923_100015922095 [0,1,0,0,0,0|1,0,2]=4 3719 B11R0.3 CC#CCOCCCCCCF 7a_100000732779_100000748600 [0,1,0,0,0,0|1,0,2]=4 3720 B11R0.3 CC#CCOCCCCCCN 34a_100000686447_100000748600 [0,1,0,0,0,0|1,0,2]=4 3721 B11R0.3 CC#CCOCCCCCCO 34a_100000761923_100000766143 [0,1,0,0,0,0|0,0,2]=3 3722 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,1,0,0,0,0|1,0,2]=4 3723 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,1,0,0,0,0|1,0,2]=4 3724 B11R0.3 CC#CCSCCCCCCF 62a_100000748600_100015922095 [0,1,0,0,0,0|1,0,2]=4 3725 B11R0.3 CC#CCSCCCCCCF 62a_100015922095_100000748600 [0,1,0,0,0,0|1,0,2]=4 3726 B11R0.3 CC#CCSCCCCCCO 62a_100000748600_100000766143 [0,1,0,0,0,0|0,0,2]=3 3727 B11R0.3 CC#CCSCCCCCCO 62a_100000766143_100000748600 [0,1,0,0,0,0|0,0,2]=3 3728 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,1,0,0,0,0|1,0,2]=4 3729 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,1,0,0,0,0|1,0,2]=4 3730 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,1,0,0,0,0|1,0,2]=4 3731 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,1,0,0,0,0|1,0,2]=4 3732 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,1,0,0,0,0|0,0,2]=3 3733 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,1,0,0,0,0|0,0,2]=3 3734 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,1,0,0,0,0|1,0,2]=4 3735 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,1,0,0,0,0|1,0,2]=4 3736 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,1,0,0,0,0|1,0,2]=4 3737 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,1,0,0,0,0|1,0,2]=4 3738 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,1,0,0,0,0|1,0,2]=4 3739 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,1,0,0,0,0|1,0,2]=4 3740 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,1,0,0,0,0|1,0,2]=4 3741 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,1,0,0,0,0|1,0,2]=4 3742 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,1,0,0,0,0|1,0,2]=4 3743 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,1,0,0,0,0|1,0,2]=4 3744 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,1,0,0,0,0|1,0,2]=4 3745 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,1,0,0,0,0|0,0,2]=3 3746 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,1,0,0,0,0|0,0,2]=3 3747 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,1,0,0,0,0|1,0,2]=4 3748 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,1,0,0,0,0|0,0,2]=3 3749 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,1,0,0,0,0|0,0,2]=3 3750 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,1,0,0,0,0|1,0,2]=4 3751 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,1,0,0,0,0|1,0,2]=4 3752 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,1,0,0,0,0|1,0,2]=4 3753 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,1,0,0,0,0|1,0,2]=4 3754 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,1,0,0,0,0|1,0,2]=4 3755 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,1,0,0,0,0|1,0,2]=4 3756 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,1,0,0,0,0|1,0,2]=4 3757 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,1,0,0,0,0|1,0,2]=4 3758 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,1,0,0,0,0|1,0,2]=4 3759 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,1,0,0,0,0|1,0,2]=4 3760 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,1,0,0,0,0|1,0,2]=4 3761 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,1,0,0,0,0|1,0,2]=4 3762 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,1,0,0,0,0|1,0,2]=4 3763 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,1,0,0,0,0|1,0,2]=4 3764 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,1,0,0,0,0|0,0,2]=3 3765 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,1,0,0,0,0|0,0,2]=3 3766 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,1,0,0,0,0|1,0,2]=4 3767 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,1,0,0,0,0|1,0,2]=4 3768 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,1,0,0,0,0|1,0,2]=4 3769 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,1,0,0,0,0|1,0,2]=4 3770 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,1,0,0,0,0|1,0,2]=4 3771 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,1,0,0,0,0|1,0,2]=4 3772 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,1,0,0,0,0|1,0,2]=4 3773 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,1,0,0,0,0|0,0,2]=3 3774 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,1,0,0,0,0|0,0,2]=3 3775 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,1,0,0,0,0|1,0,2]=4 3776 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,1,0,0,0,0|1,0,2]=4 3777 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,1,0,0,0,0|1,0,2]=4 3778 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,1,0,0,0,0|0,0,2]=3 3779 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,1,0,0,0,0|0,0,2]=3 3780 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,1,0,0,0,0|1,0,2]=4 3781 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,1,0,0,0,0|1,0,2]=4 3782 B11R0.3 CC/C=C\CNCCSCCO 2230a_100011219999_100103147603 [0,1,0,0,0,0|1,0,2]=4 3783 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,1,0,0,0,0|1,0,2]=4 3784 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,1,0,0,0,0|1,0,2]=4 3785 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,1,0,0,0,0|1,0,2]=4 3786 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,1,0,0,0,0|1,0,2]=4 3787 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,1,0,0,0,0|1,0,2]=4 3788 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,1,0,0,0,0|1,0,2]=4 3789 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,1,0,0,0,0|1,0,2]=4 3790 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,1,0,0,0,0|1,0,2]=4 3791 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,1,0,0,0,0|1,0,2]=4 3792 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,1,0,0,0,0|1,0,2]=4 3793 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,1,0,0,0,0|1,0,2]=4 3794 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,1,0,0,0,0|0,0,2]=3 3795 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,1,0,0,0,0|1,0,2]=4 3796 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,1,0,0,0,0|1,0,2]=4 3797 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,1,0,0,0,0|1,0,2]=4 3798 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,1,0,0,0,0|1,0,2]=4 3799 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,1,0,0,0,0|1,0,2]=4 3800 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,1,0,0,0,0|1,0,2]=4 3801 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,1,0,0,0,0|1,0,2]=4 3802 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,1,0,0,0,0|0,0,2]=3 3803 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,1,0,0,0,0|0,0,2]=3 3804 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,1,0,0,0,0|1,0,2]=4 3805 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,1,0,0,0,0|1,0,2]=4 3806 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,1,0,0,0,0|1,0,2]=4 3807 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,1,0,0,0,0|1,0,2]=4 3808 B11R0.3 CC=C=CCCOCCCCO 34a_100011020354_100011216708 [0,1,0,0,0,0|0,0,3]=4 3809 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,1,0,0,0,0|1,0,2]=4 3810 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,1,0,0,0,0|1,0,2]=4 3811 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,1,0,0,0,0|0,0,2]=3 3812 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,1,0,0,0,0|1,0,2]=4 3813 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,1,0,0,0,0|1,0,2]=4 3814 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,1,0,0,0,0|0,0,2]=3 3815 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,1,0,0,0,0|0,0,2]=3 3816 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,1,0,0,0,0|1,0,2]=4 3817 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,1,0,0,0,0|1,0,2]=4 3818 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,1,0,0,0,0|1,0,2]=4 3819 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,1,0,0,0,0|1,0,2]=4 3820 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,1,0,0,0,0|1,0,2]=4 3821 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,1,0,0,0,0|1,0,2]=4 3822 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,1,0,0,0,0|1,0,2]=4 3823 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,1,0,0,0,0|1,0,2]=4 3824 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,1,0,0,0,0|1,0,2]=4 3825 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,1,0,0,0,0|1,0,2]=4 3826 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,1,0,0,0,0|1,0,2]=4 3827 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,1,0,0,0,0|1,0,2]=4 3828 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,1,0,0,0,0|1,0,2]=4 3829 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,1,0,0,0,0|1,0,2]=4 3830 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,1,0,0,0,0|1,0,2]=4 3831 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,1,0,0,0,0|0,0,2]=3 3832 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,1,0,0,0,0|0,0,2]=3 3833 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,1,0,0,0,0|1,0,2]=4 3834 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,1,0,0,0,0|1,0,2]=4 3835 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,1,0,0,0,0|1,0,2]=4 3836 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,1,0,0,0,0|0,0,2]=3 3837 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,1,0,0,0,0|0,1,2]=4 3838 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,1,0,0,0,0|0,1,2]=4 3839 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,1,0,0,0,0|0,1,2]=4 3840 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,1,0,0,0,0|0,1,2]=4 3841 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [0,1,0,0,0,0|1,0,2]=4 3842 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [0,1,0,0,0,0|1,0,2]=4 3843 B11R0.3 CCC#CCCOCCCCF 34a_100000036655_100000729493 [0,1,0,0,0,0|1,0,2]=4 3844 B11R0.3 CCC#CCCOCCCCF 7a_100000036655_100000729493 [0,1,0,0,0,0|1,0,2]=4 3845 B11R0.3 CCC#CCCOCCCCO 34a_100000036655_100011216708 [0,1,0,0,0,0|0,0,2]=3 3846 B11R0.3 CCC#CCCOCCCCO 7a_100000036655_100000210776 [0,1,0,0,0,0|0,0,2]=3 3847 B11R0.3 CCC#CCCOCCCOC 34a_100000036655_100000740836 [0,1,0,0,0,0|1,0,2]=4 3848 B11R0.3 CCC#CCCOCCCOC 7a_100000036655_100000740836 [0,1,0,0,0,0|1,0,2]=4 3849 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [0,1,0,0,0,0|1,0,2]=4 3850 B11R0.3 CCC#CCNCCCCCO 2230a_100000762737_100009813939 [0,1,0,0,0,0|0,0,2]=3 3851 B11R0.3 CCC#CCNCCCCCO 34a_100000762737_100009813939 [0,1,0,0,0,0|0,0,2]=3 3852 B11R0.3 CCC#CCNCCOCCO 2230a_100000211614_100009813939 [0,1,0,0,0,0|1,0,2]=4 3853 B11R0.3 CCC#CCNCCOCCO 34a_100000211614_100009813939 [0,1,0,0,0,0|1,0,2]=4 3854 B11R0.3 CCC#CCNCCSCCO 2230a_100011219999_100009813939 [0,1,0,0,0,0|1,0,2]=4 3855 B11R0.3 CCC#CCOCCCCCBr 34a_100000746331_100009813939 [0,1,0,0,0,0|1,0,2]=4 3856 B11R0.3 CCC#CCOCCCCCBr 7a_100000746331_100009813939 [0,1,0,0,0,0|1,0,2]=4 3857 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [0,1,0,0,0,0|1,0,2]=4 3858 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [0,1,0,0,0,0|1,0,2]=4 3859 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [0,1,0,0,0,0|1,0,2]=4 3860 B11R0.3 CCC#CCOCCCCCCl 34a_100000746330_100009813939 [0,1,0,0,0,0|1,0,2]=4 3861 B11R0.3 CCC#CCOCCCCCCl 7a_100000746330_100009813939 [0,1,0,0,0,0|1,0,2]=4 3862 B11R0.3 CCC#CCOCCCCCF 34a_100000032950_100000729378 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.3 CCC#CCOCCCCCI 34a_200012148887_100009813939 [0,1,0,0,0,0|1,0,2]=4 3864 B11R0.3 CCC#CCOCCCCCI 7a_200012148887_100009813939 [0,1,0,0,0,0|1,0,2]=4 3865 B11R0.3 CCC#CCOCCCCCN 34a_100000762737_100009813939 [0,1,0,0,0,0|1,0,2]=4 3866 B11R0.3 CCC#CCOCCCCCO 34a_100000032950_100000746330 [0,1,0,0,0,0|0,0,2]=3 3867 B11R0.3 CCC#CCOCCCCOC 34a_100000032950_100000755781 [0,1,0,0,0,0|1,0,2]=4 3868 B11R0.3 CCC#CCOCCCCOC 34a_100000740925_100009813939 [0,1,0,0,0,0|1,0,2]=4 3869 B11R0.3 CCC#CCOCCOCCO 34a_100000032950_100000692535 [0,1,0,0,0,0|1,0,2]=4 3870 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [0,1,0,0,0,0|1,0,2]=4 3871 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [0,1,0,0,0,0|1,0,2]=4 3872 B11R0.3 CCC#CCSCCCCCF 62a_100000729378_100009813939 [0,1,0,0,0,0|1,0,2]=4 3873 B11R0.3 CCC#CCSCCCCCF 62a_100009813939_100000729378 [0,1,0,0,0,0|1,0,2]=4 3874 B11R0.3 CCC#CCSCCCCCO 62a_100000746330_100009813939 [0,1,0,0,0,0|0,0,2]=3 3875 B11R0.3 CCC#CCSCCCCCO 62a_100009813939_100000746330 [0,1,0,0,0,0|0,0,2]=3 3876 B11R0.3 CCC#CCSCCCCOC 62a_100000730899_100009813939 [0,1,0,0,0,0|1,0,2]=4 3877 B11R0.3 CCC#CCSCCCCOC 62a_100009813939_100000730899 [0,1,0,0,0,0|1,0,2]=4 3878 B11R0.3 CCC#CCSCCOCCO 62a_100009813939_100011215305 [0,1,0,0,0,0|1,0,2]=4 3879 B11R0.3 CCC#CCSCCOCCO 62a_100011215305_100009813939 [0,1,0,0,0,0|1,0,2]=4 3880 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,1,0,0,0,0|1,0,2]=4 3881 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,1,0,0,0,0|1,0,2]=4 3882 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,1,0,0,0,0|1,0,2]=4 3883 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,1,0,0,0,0|1,0,2]=4 3884 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,1,0,0,0,0|0,0,2]=3 3885 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,1,0,0,0,0|0,0,2]=3 3886 B11R0.3 CCC/C=C/COCCCOC 34a_100016278788_100000740836 [0,1,0,0,0,0|1,0,2]=4 3887 B11R0.3 CCC/C=C/COCCCOC 7a_100016278788_100000740836 [0,1,0,0,0,0|1,0,2]=4 3888 B11R0.3 CCCC#CCCOCCCC 34a_100000042726_100000210210 [0,1,0,0,0,0|1,0,2]=4 3889 B11R0.3 CCCC#CCCOCCCC 7a_100000042726_100000210211 [0,1,0,0,0,0|1,0,2]=4 3890 B11R0.3 CCCC#CCCOCCCF 34a_100000042726_100011934791 [0,1,0,0,0,0|1,0,2]=4 3891 B11R0.3 CCCC#CCCOCCCF 7a_100000042726_100011934791 [0,1,0,0,0,0|1,0,2]=4 3892 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,1,0,0,0,0|0,0,2]=3 3893 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,1,0,0,0,0|0,0,2]=3 3894 B11R0.3 CCCC#CCCOCCOC 34a_100000042726_100011201679 [0,1,0,0,0,0|1,0,2]=4 3895 B11R0.3 CCCC#CCCOCCOC 7a_100000042726_100000233755 [0,1,0,0,0,0|1,0,2]=4 3896 B11R0.3 CCCC#CCOCCCCC 34a_100000034806_100000718602 [0,1,0,0,0,0|1,0,2]=4 3897 B11R0.3 CCCC#CCOCCCCC 7a_100000034806_100000210326 [0,1,0,0,0,0|1,0,2]=4 3898 B11R0.3 CCCC#CCOCCCCF 34a_100000034806_100000729493 [0,1,0,0,0,0|1,0,2]=4 3899 B11R0.3 CCCC#CCOCCCCF 7a_100000034806_100000729493 [0,1,0,0,0,0|1,0,2]=4 3900 B11R0.3 CCCC#CCOCCCCO 34a_100000034806_100011216708 [0,1,0,0,0,0|0,0,2]=3 3901 B11R0.3 CCCC#CCOCCCCO 7a_100000034806_100000210776 [0,1,0,0,0,0|0,0,2]=3 3902 B11R0.3 CCCC#CCOCCCOC 34a_100000034806_100000740836 [0,1,0,0,0,0|1,0,2]=4 3903 B11R0.3 CCCC#CCOCCCOC 7a_100000034806_100000740836 [0,1,0,0,0,0|1,0,2]=4 3904 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,1,0,0,0,0|0,0,2]=3 3905 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,1,0,0,0,0|0,0,2]=3 3906 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,1,0,0,0,0|0,0,2]=3 3907 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,1,0,0,0,0|0,0,2]=3 3908 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,1,0,0,0,0|1,0,2]=4 3909 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,1,0,0,0,0|1,0,2]=4 3910 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [0,1,0,0,0,0|1,0,2]=4 3911 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [0,1,0,0,0,0|1,0,2]=4 3912 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [0,1,0,0,0,0|0,0,2]=3 3913 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [0,1,0,0,0,0|0,0,2]=3 3914 B11R0.3 CCCC/C=C/COCCOC 34a_200016272032_100011201679 [0,1,0,0,0,0|1,0,2]=4 3915 B11R0.3 CCCC/C=C/COCCOC 7a_200016272032_100000233755 [0,1,0,0,0,0|1,0,2]=4 3916 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,1,0,0,0,0|1,0,2]=4 3917 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,1,0,0,0,0|1,0,2]=4 3918 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [0,1,0,0,0,0|1,0,2]=4 3919 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [0,1,0,0,0,0|1,0,2]=4 3920 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,1,0,0,0,0|0,0,2]=3 3921 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,1,0,0,0,0|0,0,2]=3 3922 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,1,0,0,0,0|0,0,2]=3 3923 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,1,0,0,0,0|0,0,2]=3 3924 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,1,0,0,0,0|0,0,2]=3 3925 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,1,0,0,0,0|0,0,2]=3 3926 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [0,1,0,0,0,0|1,0,2]=4 3927 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [0,1,0,0,0,0|1,0,2]=4 3928 B11R0.3 CCCCC#CCCCSCC 62a_100000210202_200000047210 [0,1,0,0,0,0|1,0,2]=4 3929 B11R0.3 CCCCC#CCCCSCC 62a_200000047210_100000210202 [0,1,0,0,0,0|1,0,2]=4 3930 B11R0.3 CCCCC#CCCCSCF 62a_100015361967_200000047210 [0,1,0,0,0,0|1,0,2]=4 3931 B11R0.3 CCCCC#CCCCSCF 62a_200000047210_100015361967 [0,1,0,0,0,0|1,0,2]=4 3932 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [0,1,0,0,0,0|1,0,2]=4 3933 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [0,1,0,0,0,0|1,0,2]=4 3934 B11R0.3 CCCCC#CCCOCCF 34a_100000037610_100011217306 [0,1,0,0,0,0|1,0,2]=4 3935 B11R0.3 CCCCC#CCCOCCF 7a_100000037610_100011217306 [0,1,0,0,0,0|1,0,2]=4 3936 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,1,0,0,0,0|0,0,2]=3 3937 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,1,0,0,0,0|0,0,2]=3 3938 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [0,1,0,0,0,0|1,0,2]=4 3939 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [0,1,0,0,0,0|1,0,2]=4 3940 B11R0.3 CCCCC#CCOCCCF 34a_200000034558_100011934791 [0,1,0,0,0,0|1,0,2]=4 3941 B11R0.3 CCCCC#CCOCCCF 7a_200000034558_100011934791 [0,1,0,0,0,0|1,0,2]=4 3942 B11R0.3 CCCCC#CCOCCCO 34a_200000034558_100000230001 [0,1,0,0,0,0|0,0,2]=3 3943 B11R0.3 CCCCC#CCOCCCO 7a_200000034558_100011215043 [0,1,0,0,0,0|0,0,2]=3 3944 B11R0.3 CCCCC#CCOCCOC 34a_200000034558_100011201679 [0,1,0,0,0,0|1,0,2]=4 3945 B11R0.3 CCCCC#CCOCCOC 7a_200000034558_100000233755 [0,1,0,0,0,0|1,0,2]=4 3946 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [0,1,0,0,0,0|1,0,2]=4 3947 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [0,1,0,0,0,0|1,0,2]=4 3948 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [0,1,0,0,0,0|1,0,2]=4 3949 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [0,1,0,0,0,0|1,0,2]=4 3950 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,1,0,0,0,0|0,0,2]=3 3951 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,1,0,0,0,0|0,0,2]=3 3952 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,1,0,0,0,0|0,0,2]=3 3953 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,1,0,0,0,0|0,0,2]=3 3954 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,1,0,0,0,0|0,0,2]=3 3955 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,1,0,0,0,0|0,0,2]=3 3956 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [0,1,0,0,0,0|1,0,2]=4 3957 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [0,1,0,0,0,0|1,0,2]=4 3958 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [0,1,0,0,0,0|1,0,2]=4 3959 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [0,1,0,0,0,0|1,0,2]=4 3960 B11R0.3 CCCCC=NNCCCCC 4a_100000694160_100000210104 [0,1,0,0,0,0|2,0,1]=4 3961 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [0,1,0,0,0,0|1,0,2]=4 3962 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [0,1,0,0,0,0|1,0,2]=4 3963 B11R0.3 CCCCCC#CCCOCF 34a_200000042877_100015361967 [0,1,0,0,0,0|1,0,2]=4 3964 B11R0.3 CCCCCC#CCCOCF 7a_200000042877_100015361967 [0,1,0,0,0,0|1,0,2]=4 3965 B11R0.3 CCCCCC#CCNCCF 34a_100000724931_100009816472 [0,1,0,0,0,0|1,0,2]=4 3966 B11R0.3 CCCCCC#CCNCCO 2230a_100016997473_100009816472 [0,1,0,0,0,0|0,0,2]=3 3967 B11R0.3 CCCCCC#CCNCCO 34a_100016990907_100009816472 [0,1,0,0,0,0|0,0,2]=3 3968 B11R0.3 CCCCCC#CCOCCBr 34a_100000211926_100009816472 [0,1,0,0,0,0|1,0,2]=4 3969 B11R0.3 CCCCCC#CCOCCC 34a_100000210258_100009816472 [0,1,0,0,0,0|1,0,2]=4 3970 B11R0.3 CCCCCC#CCOCCC 34a_200000033628_100000210303 [0,1,0,0,0,0|1,0,2]=4 3971 B11R0.3 CCCCCC#CCOCCC 7a_200000033628_100000210303 [0,1,0,0,0,0|1,0,2]=4 3972 B11R0.3 CCCCCC#CCOCCF 34a_200000033628_100011217306 [0,1,0,0,0,0|1,0,2]=4 3973 B11R0.3 CCCCCC#CCOCCF 7a_200000033628_100011217306 [0,1,0,0,0,0|1,0,2]=4 3974 B11R0.3 CCCCCC#CCOCCN 34a_100000210304_100009816472 [0,1,0,0,0,0|1,0,2]=4 3975 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,1,0,0,0,0|0,0,2]=3 3976 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,1,0,0,0,0|0,0,2]=3 3977 B11R0.3 CCCCCC#CCSCCC 62a_100000210303_100009816472 [0,1,0,0,0,0|1,0,2]=4 3978 B11R0.3 CCCCCC#CCSCCC 62a_100009816472_100000210303 [0,1,0,0,0,0|1,0,2]=4 3979 B11R0.3 CCCCCC#CCSCCF 62a_100009816472_100011217306 [0,1,0,0,0,0|1,0,2]=4 3980 B11R0.3 CCCCCC#CCSCCF 62a_100011217306_100009816472 [0,1,0,0,0,0|1,0,2]=4 3981 B11R0.3 CCCCCC#CCSCCO 62a_100000211926_100009816472 [0,1,0,0,0,0|0,0,2]=3 3982 B11R0.3 CCCCCC#CCSCCO 62a_100009816472_100000211926 [0,1,0,0,0,0|0,0,2]=3 3983 B11R0.3 CCCCCC#CCSCOC 62a_100000766300_100009816472 [0,1,0,0,0,0|1,0,2]=4 3984 B11R0.3 CCCCCC#CCSCOC 62a_100009816472_100000766300 [0,1,0,0,0,0|1,0,2]=4 3985 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,1,0,0,0,0|1,0,2]=4 3986 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,1,0,0,0,0|1,0,2]=4 3987 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,1,0,0,0,0|1,0,2]=4 3988 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,1,0,0,0,0|1,0,2]=4 3989 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [0,1,0,0,0,0|2,0,1]=4 3990 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,1,0,0,0,0|0,0,2]=3 3991 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,1,0,0,0,0|0,0,2]=3 3992 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,1,0,0,0,0|0,0,2]=3 3993 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,1,0,0,0,0|0,0,2]=3 3994 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [0,1,0,0,0,0|1,0,2]=4 3995 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [0,1,0,0,0,0|1,0,2]=4 3996 B11R0.3 CCCCCCC#CCOCF 34a_200000037284_100015361967 [0,1,0,0,0,0|1,0,2]=4 3997 B11R0.3 CCCCCCC#CCOCF 7a_200000037284_100015361967 [0,1,0,0,0,0|1,0,2]=4 3998 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [0,1,0,0,0,0|2,0,1]=4 3999 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,1,0,0,0,0|1,0,1]=3 4000 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,1,0,0,0,0|0,0,2]=3 4001 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,1,0,0,0,0|0,0,2]=3 4002 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,1,0,0,0,0|0,0,2]=3 4003 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,1,0,0,0,0|0,0,2]=3 4004 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,1,0,0,0,0|2,0,1]=4 4005 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,1,0,0,0,0|1,0,0]=2 4006 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,1,0,0,0,0|1,0,0]=2 4007 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,1,0,0,0,0|1,0,0]=2 4008 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,1,0,0,0,0|1,0,0]=2 4009 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,1,0,0,0,0|1,0,0]=2 4010 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,1,0,0,0,0|1,0,0]=2 4011 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,1,0,0,0,0|1,0,0]=2 4012 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,1,0,0,0,0|0,0,0]=1 4013 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,1,0,0,0,0|0,0,0]=1 4014 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,1,0,0,0,0|0,0,0]=1 4015 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,1,0,0,0,0|0,0,0]=1 4016 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,1,0,0,0,0|0,0,0]=1 4017 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,1,0,0,0,0|0,1,0]=2 4018 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,1,0,0,0,0|0,1,0]=2 4019 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,1,0,0,0,0|1,0,0]=2 4020 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,1,0,0,0,0|1,0,0]=2 4021 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,1,0,0,0,0|1,0,0]=2 4022 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,1,0,0,0,0|1,0,0]=2 4023 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,1,0,0,0,0|1,0,0]=2 4024 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,1,0,0,0,0|1,0,0]=2 4025 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,1,0,0,0,0|1,0,0]=2 4026 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,1,0,0,0,0|1,0,0]=2 4027 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,1,0,0,0,0|1,0,0]=2 4028 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,1,0,0,0,0|1,0,0]=2 4029 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,1,0,0,0,0|1,0,0]=2 4030 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,1,0,0,0,0|1,0,1]=3 4031 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,1,0,0,0,0|0,0,2]=3 4032 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,1,0,0,0,0|0,0,2]=3 4033 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,1,0,0,0,0|1,0,0]=2 4034 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,1,0,0,0,0|1,0,0]=2 4035 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,1,0,0,0,0|1,0,0]=2 4036 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,1,0,0,0,0|1,0,0]=2 4037 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,1,0,0,0,0|1,0,0]=2 4038 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,1,0,0,0,0|0,0,0]=1 4039 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,1,0,0,0,0|0,0,0]=1 4040 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,1,0,0,0,0|0,0,0]=1 4041 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,1,0,0,0,0|0,0,0]=1 4042 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,1,0,0,0,0|1,0,0]=2 4043 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,1,0,0,0,0|1,1,0]=3 4044 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,1,0,0,0,0|1,1,0]=3 4045 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,1,0,0,0,0|1,0,1]=3 4046 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,1,0,0,0,0|0,0,2]=3 4047 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,1,0,0,0,0|0,0,2]=3 4048 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,1,0,0,0,0|1,0,0]=2 4049 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,1,0,0,0,0|1,0,0]=2 4050 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,1,0,0,0,0|1,0,0]=2 4051 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,1,0,0,0,0|1,0,0]=2 4052 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,1,0,0,0,0|1,0,0]=2 4053 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,1,0,0,0,0|1,0,0]=2 4054 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,1,0,0,0,0|1,0,0]=2 4055 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,1,0,0,0,0|0,0,0]=1 4056 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,1,0,0,0,0|0,0,0]=1 4057 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,1,0,0,0,0|1,1,0]=3 4058 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,1,0,0,0,0|1,0,1]=3 4059 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,1,0,0,0,0|1,0,1]=3 4060 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,1,0,0,0,0|0,0,2]=3 4061 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,1,0,0,0,0|0,0,2]=3 4062 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,1,0,0,0,0|1,0,0]=2 4063 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,1,0,0,0,0|1,0,0]=2 4064 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,1,0,0,0,0|1,0,0]=2 4065 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,1,0,0,0,0|1,0,0]=2 4066 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,1,0,0,0,0|0,0,0]=1 4067 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,1,0,0,0,0|0,0,0]=1 4068 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,1,0,0,0,0|1,0,0]=2 4069 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,1,0,0,0,0|1,0,0]=2 4070 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,1,0,0,0,0|1,1,0]=3 4071 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,1,0,0,0,0|1,1,0]=3 4072 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,1,0,0,0,0|1,0,1]=3 4073 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,1,0,0,0,0|1,0,0]=2 4074 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,1,0,0,0,0|1,0,0]=2 4075 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,1,0,0,0,0|1,0,0]=2 4076 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,1,0,0,0,0|1,0,0]=2 4077 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,1,0,0,0,0|1,0,0]=2 4078 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,1,0,0,0,0|1,0,0]=2 4079 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,1,0,0,0,0|0,0,0]=1 4080 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,1,0,0,0,0|1,0,0]=2 4081 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,1,0,0,0,0|1,0,0]=2 4082 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,1,0,0,0,0|1,1,0]=3 4083 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,1,0,0,0,0|1,1,0]=3 4084 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,1,0,0,0,0|1,0,1]=3 4085 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,1,0,0,0,0|1,0,0]=2 4086 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,1,0,0,0,0|1,0,0]=2 4087 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,1,0,0,0,0|1,0,0]=2 4088 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,1,0,0,0,0|1,0,0]=2 4089 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,1,0,0,0,0|1,0,0]=2 4090 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,1,0,0,0,0|1,0,0]=2 4091 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,1,0,0,0,0|1,0,0]=2 4092 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,1,0,0,0,0|1,0,0]=2 4093 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,1,0,0,0,0|1,0,0]=2 4094 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,1,0,0,0,0|1,0,0]=2 4095 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,1,0,0,0,0|0,0,0]=1 4096 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,1,0,0,0,0|0,0,0]=1 4097 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,1,0,0,0,0|1,0,0]=2 4098 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,1,0,0,0,0|1,0,0]=2 4099 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,1,0,0,0,0|1,0,0]=2 4100 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,1,0,0,0,0|1,0,0]=2 4101 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,1,0,0,0,0|1,1,0]=3 4102 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,1,0,0,0,0|1,1,0]=3 4103 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,1,0,0,0,0|1,1,0]=3 4104 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,1,0,0,0,0|1,1,0]=3 4105 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,1,0,0,0,0|1,0,1]=3 4106 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,1,0,0,0,0|1,0,1]=3 4107 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,1,0,0,0,0|1,0,0]=2 4108 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,1,0,0,0,0|1,0,0]=2 4109 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,1,0,0,0,0|1,0,0]=2 4110 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,1,0,0,0,0|1,0,0]=2 4111 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,1,0,0,0,0|0,0,0]=1 4112 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,1,0,0,0,0|0,0,0]=1 4113 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,1,0,0,0,0|1,0,0]=2 4114 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,1,0,0,0,0|1,0,0]=2 4115 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,1,0,0,0,0|1,1,0]=3 4116 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,1,0,0,0,0|1,1,0]=3 4117 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,1,0,0,0,0|2,0,0]=3 4118 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,1,0,0,0,0|2,0,0]=3 4119 B11R0.3 CCCCCCCSCSC#N 62a_100000210614_100000211825 [0,1,0,0,0,0|2,0,1]=4 4120 B11R0.3 CCCCCCCSCSC#N 62a_100000211825_100000210316 [0,1,0,0,0,0|2,0,1]=4 4121 B11R0.3 CCCCCCNCC#CCO 2230a_100000210581_200000047223 [0,1,0,0,0,0|0,0,2]=3 4122 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,1,0,0,0,0|1,0,1]=3 4123 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,1,0,0,0,0|0,0,2]=3 4124 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,1,0,0,0,0|1,0,0]=2 4125 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,1,0,0,0,0|1,0,0]=2 4126 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,1,0,0,0,0|1,0,0]=2 4127 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,1,0,0,0,0|0,0,0]=1 4128 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,1,0,0,0,0|0,0,0]=1 4129 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,1,0,0,0,0|0,0,0]=1 4130 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,1,0,0,0,0|1,0,0]=2 4131 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,1,0,0,0,0|1,0,0]=2 4132 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,1,0,0,0,0|1,1,0]=3 4133 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,1,0,0,0,0|2,0,0]=3 4134 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,1,0,0,0,0|2,0,0]=3 4135 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,1,0,0,0,0|2,0,0]=3 4136 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,1,0,0,0,0|2,0,0]=3 4137 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,1,0,0,0,0|2,0,0]=3 4138 B11R0.3 CCCCCCOCC#CCCl 34a_200000047223_100000210314 [0,1,0,0,0,0|1,0,2]=4 4139 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,1,0,0,0,0|0,0,2]=3 4140 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,1,0,0,0,0|0,0,2]=3 4141 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,1,0,0,0,0|1,0,1]=3 4142 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,1,0,0,0,0|0,0,2]=3 4143 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,1,0,0,0,0|1,0,0]=2 4144 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,1,0,0,0,0|1,0,0]=2 4145 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,1,0,0,0,0|1,0,0]=2 4146 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,1,0,0,0,0|1,0,0]=2 4147 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,1,0,0,0,0|1,0,0]=2 4148 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,1,0,0,0,0|1,0,0]=2 4149 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,1,0,0,0,0|1,0,0]=2 4150 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,1,0,0,0,0|1,0,0]=2 4151 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,1,0,0,0,0|1,0,0]=2 4152 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,1,0,0,0,0|1,0,0]=2 4153 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,1,0,0,0,0|1,0,0]=2 4154 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,1,0,0,0,0|1,0,0]=2 4155 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,1,0,0,0,0|1,0,0]=2 4156 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,1,0,0,0,0|0,0,0]=1 4157 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,1,0,0,0,0|0,0,0]=1 4158 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,1,0,0,0,0|2,0,0]=3 4159 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,1,0,0,0,0|1,0,0]=2 4160 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,1,0,0,0,0|1,0,0]=2 4161 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,1,0,0,0,0|1,0,0]=2 4162 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,1,0,0,0,0|1,1,0]=3 4163 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,1,0,0,0,0|1,1,0]=3 4164 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,1,0,0,0,0|2,0,0]=3 4165 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,1,0,0,0,0|2,0,0]=3 4166 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,1,0,0,0,0|2,0,0]=3 4167 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,1,0,0,0,0|2,0,0]=3 4168 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,1,0,0,0,0|2,0,0]=3 4169 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,1,0,0,0,0|2,0,0]=3 4170 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,1,0,0,0,0|2,0,0]=3 4171 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,1,0,0,0,0|2,0,0]=3 4172 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,1,0,0,0,0|2,0,0]=3 4173 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,1,0,0,0,0|2,0,0]=3 4174 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,1,0,0,0,0|2,0,0]=3 4175 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,1,0,0,0,0|2,0,0]=3 4176 B11R0.3 CCCCCCSCC#CCO 62a_100000210314_200000047223 [0,1,0,0,0,0|0,0,2]=3 4177 B11R0.3 CCCCCCSCC#CCO 62a_200000047223_100000210757 [0,1,0,0,0,0|0,0,2]=3 4178 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,1,0,0,0,0|1,0,1]=3 4179 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,1,0,0,0,0|1,0,1]=3 4180 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,1,0,0,0,0|0,0,2]=3 4181 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,1,0,0,0,0|0,0,2]=3 4182 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,1,0,0,0,0|1,0,0]=2 4183 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,1,0,0,0,0|1,0,0]=2 4184 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,1,0,0,0,0|1,0,0]=2 4185 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,1,0,0,0,0|1,0,0]=2 4186 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,1,0,0,0,0|0,0,0]=1 4187 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,1,0,0,0,0|0,0,0]=1 4188 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,1,0,0,0,0|1,0,0]=2 4189 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,1,0,0,0,0|1,0,0]=2 4190 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,1,0,0,0,0|2,0,0]=3 4191 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,1,0,0,0,0|2,0,0]=3 4192 B11R0.3 CCCCCCSCCSC#N 62a_100000034367_100000210757 [0,1,0,0,0,0|2,0,1]=4 4193 B11R0.3 CCCCCCSCCSC#N 62a_100000210314_100000034367 [0,1,0,0,0,0|2,0,1]=4 4194 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,1,0,0,0,0|2,0,0]=3 4195 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,1,0,0,0,0|2,0,0]=3 4196 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,1,0,0,0,0|1,0,1]=3 4197 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,1,0,0,0,0|0,0,2]=3 4198 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,1,0,0,0,0|1,0,0]=2 4199 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,1,0,0,0,0|0,0,0]=1 4200 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,1,0,0,0,0|0,0,0]=1 4201 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,1,0,0,0,0|0,0,0]=1 4202 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,1,0,0,0,0|1,0,0]=2 4203 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,1,0,0,0,0|3,0,0]=4 4204 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,1,0,0,0,0|2,0,0]=3 4205 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,1,0,0,0,0|2,0,0]=3 4206 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,1,0,0,0,0|2,0,0]=3 4207 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,1,0,0,0,0|2,0,1]=4 4208 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,1,0,0,0,0|1,0,2]=4 4209 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,1,0,0,0,0|2,0,0]=3 4210 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,1,0,0,0,0|2,0,0]=3 4211 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,1,0,0,0,0|2,0,0]=3 4212 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,1,0,0,0,0|2,0,0]=3 4213 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,1,0,0,0,0|2,0,0]=3 4214 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,1,0,0,0,0|1,0,0]=2 4215 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,1,0,0,0,0|1,0,0]=2 4216 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,1,0,0,0,0|1,0,0]=2 4217 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,1,0,0,0,0|1,0,0]=2 4218 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,1,0,0,0,0|2,1,0]=4 4219 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,1,0,0,0,0|2,0,0]=3 4220 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,1,0,0,0,0|1,0,0]=2 4221 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,1,0,0,0,0|2,0,0]=3 4222 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,1,0,0,0,0|2,0,0]=3 4223 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,1,0,0,0,0|1,0,1]=3 4224 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,1,0,0,0,0|0,0,2]=3 4225 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,1,0,0,0,0|1,0,0]=2 4226 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,1,0,0,0,0|1,0,0]=2 4227 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,1,0,0,0,0|1,0,0]=2 4228 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,1,0,0,0,0|1,0,0]=2 4229 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,1,0,0,0,0|1,0,0]=2 4230 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,1,0,0,0,0|1,0,0]=2 4231 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,1,0,0,0,0|1,0,0]=2 4232 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,1,0,0,0,0|1,0,0]=2 4233 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,1,0,0,0,0|1,0,0]=2 4234 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,1,0,0,0,0|0,0,0]=1 4235 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,1,0,0,0,0|0,0,0]=1 4236 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,1,0,0,0,0|1,0,0]=2 4237 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,1,0,0,0,0|1,0,0]=2 4238 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,1,0,0,0,0|1,0,0]=2 4239 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,1,0,0,0,0|1,1,0]=3 4240 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,1,0,0,0,0|1,1,0]=3 4241 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,1,0,0,0,0|2,0,0]=3 4242 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,1,0,0,0,0|2,0,0]=3 4243 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,1,0,0,0,0|2,0,0]=3 4244 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,1,0,0,0,0|2,0,0]=3 4245 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,1,0,0,0,0|2,0,0]=3 4246 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,1,0,0,0,0|2,0,0]=3 4247 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,1,0,0,0,0|2,0,1]=4 4248 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,1,0,0,0,0|2,0,1]=4 4249 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,1,0,0,0,0|1,0,2]=4 4250 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,1,0,0,0,0|1,0,2]=4 4251 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,1,0,0,0,0|2,0,0]=3 4252 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,1,0,0,0,0|2,0,0]=3 4253 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,1,0,0,0,0|2,0,0]=3 4254 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,1,0,0,0,0|2,0,0]=3 4255 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,1,0,0,0,0|2,0,0]=3 4256 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,1,0,0,0,0|2,0,0]=3 4257 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,1,0,0,0,0|2,0,0]=3 4258 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,1,0,0,0,0|2,0,0]=3 4259 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,1,0,0,0,0|2,0,0]=3 4260 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,1,0,0,0,0|2,0,0]=3 4261 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,1,0,0,0,0|2,0,0]=3 4262 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,1,0,0,0,0|2,0,0]=3 4263 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,1,0,0,0,0|2,0,0]=3 4264 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,1,0,0,0,0|2,0,0]=3 4265 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,1,0,0,0,0|2,0,0]=3 4266 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,1,0,0,0,0|2,0,0]=3 4267 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,1,0,0,0,0|2,0,0]=3 4268 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,1,0,0,0,0|1,0,0]=2 4269 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,1,0,0,0,0|1,0,0]=2 4270 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,1,0,0,0,0|1,0,0]=2 4271 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,1,0,0,0,0|1,0,0]=2 4272 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,1,0,0,0,0|2,1,0]=4 4273 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,1,0,0,0,0|2,0,0]=3 4274 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,1,0,0,0,0|2,0,0]=3 4275 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,1,0,0,0,0|2,0,0]=3 4276 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,1,0,0,0,0|1,0,1]=3 4277 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,1,0,0,0,0|1,0,1]=3 4278 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,1,0,0,0,0|0,0,2]=3 4279 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,1,0,0,0,0|0,0,2]=3 4280 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,1,0,0,0,0|1,0,0]=2 4281 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,1,0,0,0,0|1,0,0]=2 4282 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,1,0,0,0,0|0,0,0]=1 4283 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,1,0,0,0,0|0,0,0]=1 4284 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,1,0,0,0,0|1,0,0]=2 4285 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,1,0,0,0,0|1,0,0]=2 4286 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,1,0,0,0,0|2,0,0]=3 4287 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,1,0,0,0,0|2,0,0]=3 4288 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,1,0,0,0,0|2,0,1]=4 4289 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,1,0,0,0,0|2,0,1]=4 4290 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,1,0,0,0,0|2,0,0]=3 4291 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,1,0,0,0,0|2,0,0]=3 4292 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,1,0,0,0,0|1,0,0]=2 4293 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,1,0,0,0,0|1,0,0]=2 4294 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,1,0,0,0,0|2,0,0]=3 4295 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,1,0,0,0,0|2,0,0]=3 4296 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,1,0,0,0,0|2,0,0]=3 4297 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,1,0,0,0,0|2,0,0]=3 4298 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,1,0,0,0,0|1,0,1]=3 4299 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,1,0,0,0,0|1,0,1]=3 4300 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,1,0,0,0,0|0,0,2]=3 4301 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,1,0,0,0,0|0,0,2]=3 4302 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,1,0,0,0,0|1,0,0]=2 4303 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,1,0,0,0,0|1,0,0]=2 4304 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,1,0,0,0,0|0,0,0]=1 4305 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,1,0,0,0,0|0,0,0]=1 4306 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,1,0,0,0,0|0,0,0]=1 4307 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,1,0,0,0,0|0,0,0]=1 4308 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,1,0,0,0,0|1,0,0]=2 4309 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,1,0,0,0,0|1,0,0]=2 4310 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,1,0,0,0,0|3,0,0]=4 4311 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,1,0,0,0,0|2,0,0]=3 4312 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,1,0,0,0,0|2,0,0]=3 4313 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,1,0,0,0,0|2,0,0]=3 4314 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,1,0,0,0,0|2,0,0]=3 4315 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,1,0,0,0,0|2,0,0]=3 4316 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,1,0,0,0,0|2,0,0]=3 4317 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,1,0,0,0,0|2,0,0]=3 4318 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,1,0,0,0,0|2,0,0]=3 4319 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,1,0,0,0,0|2,0,0]=3 4320 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,1,0,0,0,0|2,0,0]=3 4321 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,1,0,0,0,0|2,0,0]=3 4322 B11R0.3 CCCCNN=CCCCCO 4a_100025702795_100000031955 [0,1,0,0,0,0|1,0,1]=3 4323 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,1,0,0,0,0|1,0,1]=3 4324 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,1,0,0,0,0|0,0,2]=3 4325 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,1,0,0,0,0|1,0,0]=2 4326 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,1,0,0,0,0|1,0,0]=2 4327 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,1,0,0,0,0|1,0,0]=2 4328 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,1,0,0,0,0|1,0,0]=2 4329 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,1,0,0,0,0|1,0,0]=2 4330 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,1,0,0,0,0|1,0,0]=2 4331 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,1,0,0,0,0|1,0,0]=2 4332 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,1,0,0,0,0|1,0,0]=2 4333 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,1,0,0,0,0|1,0,0]=2 4334 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,1,0,0,0,0|0,0,0]=1 4335 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,1,0,0,0,0|0,0,0]=1 4336 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,1,0,0,0,0|2,0,0]=3 4337 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,1,0,0,0,0|2,0,0]=3 4338 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,1,0,0,0,0|2,0,0]=3 4339 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,1,0,0,0,0|2,0,0]=3 4340 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,1,0,0,0,0|2,0,0]=3 4341 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,1,0,0,0,0|2,0,1]=4 4342 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,1,0,0,0,0|1,0,2]=4 4343 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,1,0,0,0,0|1,0,2]=4 4344 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,1,0,0,0,0|2,0,0]=3 4345 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,1,0,0,0,0|2,0,0]=3 4346 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,1,0,0,0,0|2,0,0]=3 4347 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,1,0,0,0,0|2,0,0]=3 4348 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,1,0,0,0,0|1,0,0]=2 4349 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,1,0,0,0,0|1,0,0]=2 4350 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,1,0,0,0,0|2,0,0]=3 4351 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,1,0,0,0,0|2,1,0]=4 4352 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,1,0,0,0,0|2,1,0]=4 4353 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,1,0,0,0,0|2,0,1]=4 4354 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,1,0,0,0,0|1,0,2]=4 4355 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,1,0,0,0,0|1,0,2]=4 4356 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,1,0,0,0,0|2,0,0]=3 4357 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,1,0,0,0,0|2,0,0]=3 4358 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,1,0,0,0,0|2,0,0]=3 4359 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,1,0,0,0,0|2,0,0]=3 4360 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,1,0,0,0,0|1,0,0]=2 4361 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,1,0,0,0,0|1,0,0]=2 4362 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,1,0,0,0,0|2,1,0]=4 4363 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,1,0,0,0,0|2,0,0]=3 4364 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,1,0,0,0,0|2,0,0]=3 4365 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,1,0,0,0,0|2,0,0]=3 4366 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,1,0,0,0,0|2,1,0]=4 4367 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,1,0,0,0,0|2,0,1]=4 4368 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,1,0,0,0,0|2,0,0]=3 4369 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,1,0,0,0,0|2,0,0]=3 4370 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,1,0,0,0,0|2,0,0]=3 4371 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,1,0,0,0,0|2,0,0]=3 4372 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,1,0,0,0,0|2,0,0]=3 4373 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,1,0,0,0,0|2,0,0]=3 4374 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,1,0,0,0,0|2,0,0]=3 4375 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,1,0,0,0,0|2,0,0]=3 4376 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,1,0,0,0,0|2,0,0]=3 4377 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,1,0,0,0,0|2,0,0]=3 4378 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,1,0,0,0,0|1,0,0]=2 4379 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,1,0,0,0,0|1,0,0]=2 4380 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,1,0,0,0,0|3,0,0]=4 4381 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,1,0,0,0,0|2,0,0]=3 4382 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,1,0,0,0,0|2,0,0]=3 4383 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,1,0,0,0,0|2,0,0]=3 4384 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,1,0,0,0,0|2,0,0]=3 4385 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,1,0,0,0,0|2,0,0]=3 4386 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,1,0,0,0,0|2,0,0]=3 4387 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,1,0,0,0,0|2,0,0]=3 4388 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,1,0,0,0,0|2,0,0]=3 4389 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,1,0,0,0,0|2,0,0]=3 4391 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,1,0,0,0,0|2,0,0]=3 4392 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,1,0,0,0,0|2,0,0]=3 4393 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,1,0,0,0,0|2,1,0]=4 4394 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,1,0,0,0,0|2,1,0]=4 4395 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,1,0,0,0,0|2,1,0]=4 4396 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,1,0,0,0,0|2,1,0]=4 4397 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,1,0,0,0,0|2,0,1]=4 4398 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,1,0,0,0,0|2,0,1]=4 4399 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,1,0,0,0,0|2,0,0]=3 4400 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,1,0,0,0,0|2,0,0]=3 4401 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,1,0,0,0,0|2,0,0]=3 4402 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,1,0,0,0,0|2,0,0]=3 4403 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,1,0,0,0,0|2,0,0]=3 4404 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,1,0,0,0,0|2,0,0]=3 4405 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,1,0,0,0,0|1,0,0]=2 4406 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,1,0,0,0,0|1,0,0]=2 4407 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,1,0,0,0,0|2,0,0]=3 4408 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,1,0,0,0,0|2,0,0]=3 4409 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,1,0,0,0,0|2,1,0]=4 4410 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,1,0,0,0,0|2,1,0]=4 4411 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [0,1,0,0,0,0|3,0,0]=4 4412 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [0,1,0,0,0,0|3,0,0]=4 4413 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,1,0,0,0,0|1,0,0]=2 4414 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,1,0,0,0,0|1,0,0]=2 4415 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,1,0,0,0,0|2,0,0]=3 4416 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,1,0,0,0,0|2,1,0]=4 4417 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [0,1,0,0,0,0|3,0,0]=4 4418 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [0,1,0,0,0,0|3,0,0]=4 4419 B11R0.3 CCCCOCNCCSCC 2230a_100000106463_100011995733 [0,1,0,0,0,0|3,0,0]=4 4420 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,1,0,0,0,0|2,0,0]=3 4421 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,1,0,0,0,0|2,0,0]=3 4422 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,1,0,0,0,0|2,0,0]=3 4423 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,1,0,0,0,0|2,0,0]=3 4424 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,1,0,0,0,0|2,0,0]=3 4425 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,1,0,0,0,0|3,0,0]=4 4426 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,1,0,0,0,0|2,0,0]=3 4427 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,1,0,0,0,0|2,1,0]=4 4428 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [0,1,0,0,0,0|3,0,0]=4 4429 B11R0.3 CCCCOCOCCSCC 34a_100000212035_100011995733 [0,1,0,0,0,0|3,0,0]=4 4430 B11R0.3 CCCCOCSCC#CCO 62a_100011995733_200000047223 [0,1,0,0,0,0|1,0,2]=4 4431 B11R0.3 CCCCOCSCC#CCO 62a_200000047223_100011995733 [0,1,0,0,0,0|1,0,2]=4 4432 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,1,0,0,0,0|2,0,1]=4 4433 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,1,0,0,0,0|2,0,1]=4 4434 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,1,0,0,0,0|1,0,2]=4 4435 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,1,0,0,0,0|1,0,2]=4 4436 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,1,0,0,0,0|2,0,0]=3 4437 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,1,0,0,0,0|2,0,0]=3 4438 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,1,0,0,0,0|1,0,0]=2 4439 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,1,0,0,0,0|1,0,0]=2 4440 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,1,0,0,0,0|2,0,0]=3 4441 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,1,0,0,0,0|2,0,0]=3 4442 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [0,1,0,0,0,0|3,0,0]=4 4444 B11R0.3 CCCCOCSCCSCC 62a_100000757381_100011995733 [0,1,0,0,0,0|3,0,0]=4 4445 B11R0.3 CCCCOCSCCSCC 62a_100011995733_100000757381 [0,1,0,0,0,0|3,0,0]=4 4446 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,1,0,0,0,0|1,0,1]=3 4447 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,1,0,0,0,0|1,0,1]=3 4448 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,1,0,0,0,0|0,0,2]=3 4449 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,1,0,0,0,0|0,0,2]=3 4450 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,1,0,0,0,0|1,0,0]=2 4451 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,1,0,0,0,0|1,0,0]=2 4452 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,1,0,0,0,0|0,0,0]=1 4453 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,1,0,0,0,0|0,0,0]=1 4454 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,1,0,0,0,0|2,0,1]=4 4455 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,1,0,0,0,0|2,0,0]=3 4456 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,1,0,0,0,0|1,0,0]=2 4457 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,1,0,0,0,0|2,0,0]=3 4458 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,1,0,0,0,0|2,1,0]=4 4459 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,1,0,0,0,0|2,0,1]=4 4460 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,1,0,0,0,0|2,0,0]=3 4461 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,1,0,0,0,0|2,0,0]=3 4462 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,1,0,0,0,0|1,0,0]=2 4463 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,1,0,0,0,0|1,0,0]=2 4464 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,1,0,0,0,0|2,0,0]=3 4465 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,1,0,0,0,0|2,0,0]=3 4466 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,1,0,0,0,0|2,0,0]=3 4467 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,1,0,0,0,0|2,0,0]=3 4468 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,1,0,0,0,0|2,1,0]=4 4469 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,1,0,0,0,0|2,1,0]=4 4470 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,1,0,0,0,0|0,0,0]=1 4471 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,1,0,0,0,0|0,0,0]=1 4472 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,1,0,0,0,0|1,0,0]=2 4473 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,1,0,0,0,0|1,0,0]=2 4474 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,1,0,0,0,0|2,0,0]=3 4475 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,1,0,0,0,0|2,0,0]=3 4476 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,1,0,0,0,0|1,0,0]=2 4479 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,1,0,0,0,0|1,0,0]=2 4480 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,1,0,0,0,0|1,0,0]=2 4481 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,1,0,0,0,0|0,0,0]=1 4482 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,1,0,0,0,0|1,0,0]=2 4483 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,1,0,0,0,0|1,0,0]=2 4484 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,1,0,0,0,0|1,0,0]=2 4485 B11R0.3 CCCOCCCNCCC#N 2230a_100011217757_100011215226 [0,1,0,0,0,0|2,0,1]=4 4486 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,1,0,0,0,0|2,0,0]=3 4487 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,1,0,0,0,0|2,0,0]=3 4488 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,1,0,0,0,0|1,0,0]=2 4489 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,1,0,0,0,0|1,0,0]=2 4490 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,1,0,0,0,0|2,0,0]=3 4491 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,1,0,0,0,0|2,0,0]=3 4492 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,1,0,0,0,0|2,1,0]=4 4493 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,1,0,0,0,0|2,1,0]=4 4494 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,1,0,0,0,0|2,0,0]=3 4495 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,1,0,0,0,0|2,0,0]=3 4496 B11R0.3 CCCOCCNCC#CCO 2230a_100161115042_200000047223 [0,1,0,0,0,0|1,0,2]=4 4497 B11R0.3 CCCOCCNCC#CCO 34a_100161115042_200000047223 [0,1,0,0,0,0|1,0,2]=4 4498 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,1,0,0,0,0|2,0,1]=4 4499 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,1,0,0,0,0|1,0,2]=4 4500 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,1,0,0,0,0|2,0,0]=3 4501 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,1,0,0,0,0|2,0,0]=3 4502 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,1,0,0,0,0|1,0,0]=2 4503 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,1,0,0,0,0|1,0,0]=2 4504 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,1,0,0,0,0|1,0,0]=2 4505 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,1,0,0,0,0|1,0,0]=2 4506 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,1,0,0,0,0|2,0,0]=3 4507 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,1,0,0,0,0|2,0,0]=3 4508 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,1,0,0,0,0|2,0,0]=3 4509 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,1,0,0,0,0|2,1,0]=4 4510 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [0,1,0,0,0,0|3,0,0]=4 4511 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [0,1,0,0,0,0|3,0,0]=4 4512 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [0,1,0,0,0,0|3,0,0]=4 4513 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [0,1,0,0,0,0|3,0,0]=4 4514 B11R0.3 CCCOCCNCCSCC 2230a_100000106463_100011215938 [0,1,0,0,0,0|3,0,0]=4 4515 B11R0.3 CCCOCCNCCSCC 2230a_100161115042_100000757381 [0,1,0,0,0,0|3,0,0]=4 4516 B11R0.3 CCCOCCNCCSCC 34a_100161115042_100000757381 [0,1,0,0,0,0|3,0,0]=4 4517 B11R0.3 CCCOCCOCC#CCO 34a_100000752267_200000047223 [0,1,0,0,0,0|1,0,2]=4 4518 B11R0.3 CCCOCCOCC#CCO 7a_100000752267_200000047223 [0,1,0,0,0,0|1,0,2]=4 4519 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,1,0,0,0,0|2,0,1]=4 4520 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,1,0,0,0,0|1,0,2]=4 4521 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,1,0,0,0,0|2,0,0]=3 4522 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,1,0,0,0,0|2,0,0]=3 4523 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,1,0,0,0,0|2,0,0]=3 4524 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,1,0,0,0,0|2,0,0]=3 4525 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,1,0,0,0,0|2,0,0]=3 4526 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,1,0,0,0,0|2,0,0]=3 4527 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,1,0,0,0,0|2,0,0]=3 4528 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,1,0,0,0,0|2,0,0]=3 4529 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,1,0,0,0,0|2,0,0]=3 4530 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,1,0,0,0,0|1,0,0]=2 4531 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,1,0,0,0,0|1,0,0]=2 4532 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,1,0,0,0,0|3,0,0]=4 4533 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,1,0,0,0,0|2,0,0]=3 4534 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,1,0,0,0,0|2,0,0]=3 4535 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,1,0,0,0,0|2,0,0]=3 4536 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,1,0,0,0,0|2,1,0]=4 4537 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,1,0,0,0,0|2,1,0]=4 4538 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [0,1,0,0,0,0|3,0,0]=4 4539 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [0,1,0,0,0,0|3,0,0]=4 4540 B11R0.3 CCCOCCOCCNCF 34a_200011904461_100015361967 [0,1,0,0,0,0|3,0,0]=4 4541 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [0,1,0,0,0,0|3,0,0]=4 4542 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [0,1,0,0,0,0|3,0,0]=4 4543 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [0,1,0,0,0,0|3,0,0]=4 4544 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [0,1,0,0,0,0|3,0,0]=4 4545 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [0,1,0,0,0,0|3,0,0]=4 4546 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [0,1,0,0,0,0|3,0,0]=4 4547 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [0,1,0,0,0,0|3,0,0]=4 4548 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [0,1,0,0,0,0|3,0,0]=4 4549 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [0,1,0,0,0,0|3,0,0]=4 4550 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [0,1,0,0,0,0|3,0,0]=4 4551 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [0,1,0,0,0,0|3,0,0]=4 4552 B11R0.3 CCCOCCSCC#CCO 62a_100011215938_200000047223 [0,1,0,0,0,0|1,0,2]=4 4553 B11R0.3 CCCOCCSCC#CCO 62a_200000047223_100011215938 [0,1,0,0,0,0|1,0,2]=4 4554 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,1,0,0,0,0|2,0,1]=4 4555 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,1,0,0,0,0|2,0,1]=4 4556 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,1,0,0,0,0|1,0,2]=4 4557 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,1,0,0,0,0|1,0,2]=4 4558 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,1,0,0,0,0|2,0,0]=3 4559 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,1,0,0,0,0|2,0,0]=3 4560 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,1,0,0,0,0|1,0,0]=2 4561 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,1,0,0,0,0|1,0,0]=2 4562 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,1,0,0,0,0|2,0,0]=3 4563 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,1,0,0,0,0|2,0,0]=3 4564 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [0,1,0,0,0,0|3,0,0]=4 4565 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [0,1,0,0,0,0|3,0,0]=4 4566 B11R0.3 CCCOCCSCCSCC 62a_100000757381_100011215938 [0,1,0,0,0,0|3,0,0]=4 4567 B11R0.3 CCCOCCSCCSCC 62a_100011215938_100000757381 [0,1,0,0,0,0|3,0,0]=4 4568 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,1,0,0,0,0|1,0,1]=3 4569 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,1,0,0,0,0|1,0,1]=3 4570 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,1,0,0,0,0|0,0,0]=1 4571 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,1,0,0,0,0|0,0,0]=1 4572 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,1,0,0,0,0|1,0,0]=2 4573 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,1,0,0,0,0|1,0,0]=2 4574 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,1,0,0,0,0|2,0,0]=3 4575 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,1,0,0,0,0|2,0,0]=3 4576 B11R0.3 CCCSCCNCC#CCO 2230a_100020603323_200000047223 [0,1,0,0,0,0|1,0,2]=4 4577 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,1,0,0,0,0|2,0,1]=4 4578 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,1,0,0,0,0|1,0,2]=4 4579 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,1,0,0,0,0|2,0,0]=3 4580 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,1,0,0,0,0|1,0,0]=2 4581 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,1,0,0,0,0|2,0,0]=3 4582 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [0,1,0,0,0,0|3,0,0]=4 4583 B11R0.3 CCCSCCNCCSCC 2230a_100020603323_100000757381 [0,1,0,0,0,0|3,0,0]=4 4584 B11R0.3 CCCSCCOCC#CCO 34a_200000230433_200000047223 [0,1,0,0,0,0|1,0,2]=4 4585 B11R0.3 CCCSCCOCC#CCO 7a_200000230433_200000047223 [0,1,0,0,0,0|1,0,2]=4 4586 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,1,0,0,0,0|2,0,1]=4 4587 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,1,0,0,0,0|1,0,2]=4 4588 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,1,0,0,0,0|2,0,0]=3 4589 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,1,0,0,0,0|2,0,0]=3 4590 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,1,0,0,0,0|1,0,0]=2 4591 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,1,0,0,0,0|1,0,0]=2 4592 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,1,0,0,0,0|2,0,0]=3 4593 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,1,0,0,0,0|2,0,0]=3 4594 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [0,1,0,0,0,0|3,0,0]=4 4595 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [0,1,0,0,0,0|3,0,0]=4 4596 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [0,1,0,0,0,0|3,0,0]=4 4597 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [0,1,0,0,0,0|3,0,0]=4 4598 B11R0.3 CCCSCCOCCSCC 34a_200000230433_100000757381 [0,1,0,0,0,0|3,0,0]=4 4599 B11R0.3 CCCSCCOCCSCC 7a_200000230433_100000757381 [0,1,0,0,0,0|3,0,0]=4 4600 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,1,0,0,0,0|0,0,0]=1 4601 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,1,0,0,0,0|0,0,0]=1 4602 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,1,0,0,0,0|0,0,0]=1 4603 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,1,0,0,0,0|3,0,0]=4 4604 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,1,0,0,0,0|2,0,0]=3 4605 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,1,0,0,0,0|2,0,0]=3 4606 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,1,0,0,0,0|2,0,0]=3 4607 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,1,0,0,0,0|1,0,0]=2 4608 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,1,0,0,0,0|1,0,0]=2 4609 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,1,0,0,0,0|1,0,0]=2 4610 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,1,0,0,0,0|1,0,0]=2 4611 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,1,0,0,0,0|1,0,0]=2 4612 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,1,0,0,0,0|0,0,0]=1 4613 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,1,0,0,0,0|2,0,0]=3 4614 B11R0.3 CCOCCCNCC#CCO 2230a_100000210961_200000047223 [0,1,0,0,0,0|1,0,2]=4 4615 B11R0.3 CCOCCCNCC#CCO 34a_100000210961_200000047223 [0,1,0,0,0,0|1,0,2]=4 4616 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,1,0,0,0,0|2,0,1]=4 4617 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,1,0,0,0,0|1,0,2]=4 4618 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,1,0,0,0,0|2,0,0]=3 4619 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,1,0,0,0,0|2,0,0]=3 4620 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,1,0,0,0,0|1,0,0]=2 4621 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,1,0,0,0,0|1,0,0]=2 4622 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,1,0,0,0,0|1,0,0]=2 4623 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,1,0,0,0,0|1,0,0]=2 4624 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,1,0,0,0,0|2,0,0]=3 4625 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,1,0,0,0,0|2,0,0]=3 4626 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,1,0,0,0,0|2,0,0]=3 4627 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,1,0,0,0,0|2,1,0]=4 4628 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [0,1,0,0,0,0|3,0,0]=4 4629 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [0,1,0,0,0,0|3,0,0]=4 4630 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [0,1,0,0,0,0|3,0,0]=4 4631 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [0,1,0,0,0,0|3,0,0]=4 4632 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [0,1,0,0,0,0|3,0,0]=4 4633 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [0,1,0,0,0,0|3,0,0]=4 4634 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [0,1,0,0,0,0|3,0,0]=4 4635 B11R0.3 CCOCCCOCC#CCO 34a_100000757476_200000047223 [0,1,0,0,0,0|1,0,2]=4 4636 B11R0.3 CCOCCCOCC#CCO 7a_100000757476_200000047223 [0,1,0,0,0,0|1,0,2]=4 4637 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,1,0,0,0,0|2,0,1]=4 4638 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,1,0,0,0,0|1,0,2]=4 4639 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,1,0,0,0,0|2,0,0]=3 4640 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,1,0,0,0,0|2,0,0]=3 4641 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,1,0,0,0,0|2,0,0]=3 4642 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,1,0,0,0,0|2,0,0]=3 4643 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,1,0,0,0,0|2,0,0]=3 4644 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,1,0,0,0,0|2,0,0]=3 4645 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,1,0,0,0,0|2,0,0]=3 4646 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,1,0,0,0,0|2,0,0]=3 4647 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,1,0,0,0,0|2,0,0]=3 4648 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,1,0,0,0,0|1,0,0]=2 4649 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,1,0,0,0,0|1,0,0]=2 4650 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,1,0,0,0,0|2,0,0]=3 4652 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,1,0,0,0,0|2,0,0]=3 4653 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,1,0,0,0,0|2,0,0]=3 4654 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,1,0,0,0,0|2,0,0]=3 4655 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,1,0,0,0,0|2,0,0]=3 4656 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,1,0,0,0,0|2,1,0]=4 4657 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,1,0,0,0,0|2,1,0]=4 4658 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [0,1,0,0,0,0|3,0,0]=4 4659 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [0,1,0,0,0,0|3,0,0]=4 4660 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [0,1,0,0,0,0|3,0,0]=4 4661 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [0,1,0,0,0,0|3,0,0]=4 4662 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [0,1,0,0,0,0|3,0,0]=4 4663 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [0,1,0,0,0,0|3,0,0]=4 4664 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [0,1,0,0,0,0|3,0,0]=4 4665 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [0,1,0,0,0,0|3,0,0]=4 4666 B11R0.3 CCOCCCSCC#CCO 62a_100012232248_200000047223 [0,1,0,0,0,0|1,0,2]=4 4667 B11R0.3 CCOCCCSCC#CCO 62a_200000047223_100012232248 [0,1,0,0,0,0|1,0,2]=4 4668 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,1,0,0,0,0|2,0,1]=4 4669 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,1,0,0,0,0|2,0,1]=4 4670 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,1,0,0,0,0|1,0,2]=4 4671 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,1,0,0,0,0|1,0,2]=4 4672 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,1,0,0,0,0|2,0,0]=3 4673 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,1,0,0,0,0|2,0,0]=3 4674 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,1,0,0,0,0|1,0,0]=2 4675 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,1,0,0,0,0|1,0,0]=2 4676 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,1,0,0,0,0|2,0,0]=3 4677 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,1,0,0,0,0|2,0,0]=3 4678 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [0,1,0,0,0,0|3,0,0]=4 4679 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [0,1,0,0,0,0|3,0,0]=4 4680 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [0,1,0,0,0,0|3,0,0]=4 4681 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [0,1,0,0,0,0|3,0,0]=4 4682 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,1,0,0,0,0|2,0,1]=4 4683 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,1,0,0,0,0|1,0,2]=4 4684 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,1,0,0,0,0|2,0,0]=3 4685 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,1,0,0,0,0|2,0,0]=3 4686 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,1,0,0,0,0|1,0,0]=2 4687 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,1,0,0,0,0|1,0,0]=2 4688 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,1,0,0,0,0|1,0,0]=2 4689 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,1,0,0,0,0|1,0,0]=2 4690 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,1,0,0,0,0|2,0,0]=3 4691 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,1,0,0,0,0|2,0,0]=3 4692 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,1,0,0,0,0|2,0,0]=3 4693 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,1,0,0,0,0|2,0,0]=3 4694 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,1,0,0,0,0|2,0,0]=3 4695 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,1,0,0,0,0|2,0,0]=3 4696 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,1,0,0,0,0|2,0,0]=3 4697 B11R0.3 CCOCCNCOCCOC 2230a_102516460346_100000231047 [0,1,0,0,0,0|3,0,0]=4 4698 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,1,0,0,0,0|2,0,1]=4 4699 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,1,0,0,0,0|1,0,2]=4 4700 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,1,0,0,0,0|2,0,0]=3 4701 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,1,0,0,0,0|2,0,0]=3 4702 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,1,0,0,0,0|2,0,0]=3 4703 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,1,0,0,0,0|2,0,0]=3 4704 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,1,0,0,0,0|2,0,0]=3 4705 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,1,0,0,0,0|2,0,0]=3 4706 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,1,0,0,0,0|2,0,0]=3 4707 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,1,0,0,0,0|2,0,0]=3 4708 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,1,0,0,0,0|2,0,0]=3 4709 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,1,0,0,0,0|1,0,0]=2 4710 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,1,0,0,0,0|1,0,0]=2 4711 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,1,0,0,0,0|2,0,0]=3 4712 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,1,0,0,0,0|2,0,0]=3 4713 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,1,0,0,0,0|2,0,0]=3 4714 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,1,0,0,0,0|2,1,0]=4 4715 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,1,0,0,0,0|2,1,0]=4 4716 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [0,1,0,0,0,0|3,0,0]=4 4717 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [0,1,0,0,0,0|3,0,0]=4 4718 B11R0.3 CCOCCOCCNCCF 2230a_100102712874_100011217306 [0,1,0,0,0,0|3,0,0]=4 4719 B11R0.3 CCOCCOCCNCCF 34a_100000724931_100011211534 [0,1,0,0,0,0|3,0,0]=4 4720 B11R0.3 CCOCCOCCNCCF 34a_100102712874_100011217306 [0,1,0,0,0,0|3,0,0]=4 4721 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,1,0,0,0,0|2,0,0]=3 4722 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,1,0,0,0,0|2,0,0]=3 4723 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,1,0,0,0,0|2,0,0]=3 4724 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,1,0,0,0,0|2,0,0]=3 4725 B11R0.3 CCOCCOCCNCOC 2230a_100102712874_100000766300 [0,1,0,0,0,0|3,0,0]=4 4726 B11R0.3 CCOCCOCCOCCBr 34a_100000211926_100011211534 [0,1,0,0,0,0|3,0,0]=4 4727 B11R0.3 CCOCCOCCOCCBr 34a_100000692535_100000210147 [0,1,0,0,0,0|3,0,0]=4 4728 B11R0.3 CCOCCOCCOCCBr 34a_100010132937_100000210202 [0,1,0,0,0,0|3,0,0]=4 4729 B11R0.3 CCOCCOCCOCCBr 7a_100000692535_100011215890 [0,1,0,0,0,0|3,0,0]=4 4730 B11R0.3 CCOCCOCCOCCBr 7a_100010132937_100000210202 [0,1,0,0,0,0|3,0,0]=4 4731 B11R0.3 CCOCCOCCOCCCl 34a_100000032323_100000210202 [0,1,0,0,0,0|3,0,0]=4 4732 B11R0.3 CCOCCOCCOCCCl 34a_100011215305_100000210147 [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.3 CCOCCOCCOCCCl 7a_100000032323_100000210202 [0,1,0,0,0,0|3,0,0]=4 4734 B11R0.3 CCOCCOCCOCCCl 7a_100011215305_100011215890 [0,1,0,0,0,0|3,0,0]=4 4735 B11R0.3 CCOCCOCCOCCF 34a_100000210240_100011217306 [0,1,0,0,0,0|3,0,0]=4 4736 B11R0.3 CCOCCOCCOCCF 34a_200015357709_100000210147 [0,1,0,0,0,0|3,0,0]=4 4737 B11R0.3 CCOCCOCCOCCF 7a_100000210240_100011217306 [0,1,0,0,0,0|3,0,0]=4 4738 B11R0.3 CCOCCOCCOCCF 7a_200015357709_100011215890 [0,1,0,0,0,0|3,0,0]=4 4739 B11R0.3 CCOCCOCCOCCI 34a_100012149058_100000210147 [0,1,0,0,0,0|3,0,0]=4 4740 B11R0.3 CCOCCOCCOCCI 7a_100012149058_100011215890 [0,1,0,0,0,0|3,0,0]=4 4741 B11R0.3 CCOCCOCCOCCN 34a_100000210304_100011211534 [0,1,0,0,0,0|3,0,0]=4 4742 B11R0.3 CCOCCOCCOCCN 34a_100000211614_100000210147 [0,1,0,0,0,0|3,0,0]=4 4743 B11R0.3 CCOCCOCCOCCN 34a_100011998139_100000210202 [0,1,0,0,0,0|3,0,0]=4 4744 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,1,0,0,0,0|2,0,0]=3 4745 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,1,0,0,0,0|2,0,0]=3 4746 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,1,0,0,0,0|2,0,0]=3 4747 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,1,0,0,0,0|2,0,0]=3 4748 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,1,0,0,0,0|2,0,0]=3 4749 B11R0.3 CCOCCOCCSCCF 62a_100011211534_100011217306 [0,1,0,0,0,0|3,0,0]=4 4750 B11R0.3 CCOCCOCCSCCF 62a_100011217306_100011211534 [0,1,0,0,0,0|3,0,0]=4 4751 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,1,0,0,0,0|2,0,0]=3 4752 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,1,0,0,0,0|2,0,0]=3 4753 B11R0.3 CCOCCOCCSCOC 62a_100000766300_100011211534 [0,1,0,0,0,0|3,0,0]=4 4754 B11R0.3 CCOCCOCCSCOC 62a_100011211534_100000766300 [0,1,0,0,0,0|3,0,0]=4 4755 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,1,0,0,0,0|2,0,1]=4 4756 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,1,0,0,0,0|2,0,1]=4 4757 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,1,0,0,0,0|1,0,2]=4 4758 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,1,0,0,0,0|1,0,2]=4 4759 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,1,0,0,0,0|2,0,0]=3 4760 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,1,0,0,0,0|2,0,0]=3 4761 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,1,0,0,0,0|1,0,0]=2 4762 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,1,0,0,0,0|1,0,0]=2 4763 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,1,0,0,0,0|2,0,0]=3 4764 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,1,0,0,0,0|2,0,0]=3 4765 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,1,0,0,0,0|2,0,0]=3 4766 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,1,0,0,0,0|2,0,0]=3 4767 B11R0.3 CCOCCSCOCCOC 62a_100000210147_100000231047 [0,1,0,0,0,0|3,0,0]=4 4768 B11R0.3 CCOCCSCOCCOC 62a_100000231047_100011215890 [0,1,0,0,0,0|3,0,0]=4 4769 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,1,0,0,0,0|2,0,1]=4 4771 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,1,0,0,0,0|1,0,2]=4 4772 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,1,0,0,0,0|1,0,2]=4 4773 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,1,0,0,0,0|2,0,0]=3 4774 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,1,0,0,0,0|2,0,0]=3 4775 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,1,0,0,0,0|1,0,0]=2 4776 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,1,0,0,0,0|1,0,0]=2 4777 B11R0.3 CCOCSCCOCCOC 62a_100000695917_100000739092 [0,1,0,0,0,0|3,0,0]=4 4778 B11R0.3 CCOCSCCOCCOC 62a_100000739092_100000695917 [0,1,0,0,0,0|3,0,0]=4 4779 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,1,0,0,0,0|0,0,0]=1 4780 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,1,0,0,0,0|0,0,0]=1 4781 B11R0.3 CCSCCCOCC#CCO 34a_100011216438_200000047223 [0,1,0,0,0,0|1,0,2]=4 4782 B11R0.3 CCSCCCOCC#CCO 7a_100011216438_200000047223 [0,1,0,0,0,0|1,0,2]=4 4783 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,1,0,0,0,0|2,0,1]=4 4784 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,1,0,0,0,0|1,0,2]=4 4785 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,1,0,0,0,0|2,0,0]=3 4786 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,1,0,0,0,0|2,0,0]=3 4787 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,1,0,0,0,0|1,0,0]=2 4788 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,1,0,0,0,0|1,0,0]=2 4789 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,1,0,0,0,0|2,0,0]=3 4790 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,1,0,0,0,0|2,0,0]=3 4791 B11R0.3 CCSCCCOCCSCC 34a_100011216438_100000757381 [0,1,0,0,0,0|3,0,0]=4 4792 B11R0.3 CCSCCCOCCSCC 7a_100011216438_100000757381 [0,1,0,0,0,0|3,0,0]=4 4793 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,1,0,0,0,0|2,0,1]=4 4794 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,1,0,0,0,0|1,0,2]=4 4795 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,1,0,0,0,0|2,0,0]=3 4796 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,1,0,0,0,0|1,0,0]=2 4797 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,1,0,0,0,0|1,0,0]=2 4798 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,1,0,0,0,0|1,0,0]=2 4799 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,1,0,0,0,0|2,0,0]=3 4800 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,1,0,0,0,0|2,0,0]=3 4801 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,1,0,0,0,0|2,0,0]=3 4802 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,1,0,0,0,0|2,0,0]=3 4803 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,1,0,0,0,0|2,0,0]=3 4804 B11R0.3 CCSCCNCOCCOC 2230a_100000106463_100000231047 [0,1,0,0,0,0|3,0,0]=4 4805 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,1,0,0,0,0|2,0,1]=4 4806 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,1,0,0,0,0|1,0,2]=4 4807 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,1,0,0,0,0|2,0,0]=3 4808 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,1,0,0,0,0|2,0,0]=3 4809 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,1,0,0,0,0|2,0,0]=3 4810 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,1,0,0,0,0|2,0,0]=3 4811 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,1,0,0,0,0|2,0,0]=3 4812 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,1,0,0,0,0|2,0,0]=3 4813 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,1,0,0,0,0|2,0,0]=3 4814 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,1,0,0,0,0|2,0,0]=3 4815 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,1,0,0,0,0|2,0,0]=3 4816 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,1,0,0,0,0|1,0,0]=2 4817 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,1,0,0,0,0|1,0,0]=2 4818 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,1,0,0,0,0|2,0,0]=3 4819 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,1,0,0,0,0|2,0,0]=3 4820 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,1,0,0,0,0|2,0,0]=3 4821 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,1,0,0,0,0|2,1,0]=4 4822 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,1,0,0,0,0|2,1,0]=4 4823 B11R0.3 CCSCCOCCOCCBr 34a_100000692535_100000757381 [0,1,0,0,0,0|3,0,0]=4 4824 B11R0.3 CCSCCOCCOCCBr 7a_100000692535_100000757381 [0,1,0,0,0,0|3,0,0]=4 4825 B11R0.3 CCSCCOCCOCCCl 34a_100011215305_100000757381 [0,1,0,0,0,0|3,0,0]=4 4826 B11R0.3 CCSCCOCCOCCCl 7a_100011215305_100000757381 [0,1,0,0,0,0|3,0,0]=4 4827 B11R0.3 CCSCCOCCOCCF 34a_200015357709_100000757381 [0,1,0,0,0,0|3,0,0]=4 4828 B11R0.3 CCSCCOCCOCCF 7a_200015357709_100000757381 [0,1,0,0,0,0|3,0,0]=4 4829 B11R0.3 CCSCCOCCOCCI 34a_100012149058_100000757381 [0,1,0,0,0,0|3,0,0]=4 4830 B11R0.3 CCSCCOCCOCCI 7a_100012149058_100000757381 [0,1,0,0,0,0|3,0,0]=4 4831 B11R0.3 CCSCCOCCOCCN 34a_100000211614_100000757381 [0,1,0,0,0,0|3,0,0]=4 4832 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,1,0,0,0,0|2,0,0]=3 4833 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,1,0,0,0,0|2,0,0]=3 4834 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,1,0,0,0,0|2,0,0]=3 4835 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,1,0,0,0,0|2,0,0]=3 4836 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,1,0,0,0,0|2,0,1]=4 4837 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,1,0,0,0,0|2,0,1]=4 4838 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,1,0,0,0,0|1,0,2]=4 4839 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,1,0,0,0,0|1,0,2]=4 4840 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,1,0,0,0,0|2,0,0]=3 4841 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,1,0,0,0,0|2,0,0]=3 4842 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,1,0,0,0,0|1,0,0]=2 4843 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,1,0,0,0,0|1,0,0]=2 4844 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,1,0,0,0,0|2,0,0]=3 4845 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,1,0,0,0,0|2,0,0]=3 4846 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,1,0,0,0,0|2,0,0]=3 4847 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,1,0,0,0,0|2,0,0]=3 4848 B11R0.3 CCSCCSCOCCOC 62a_100000231047_100000757381 [0,1,0,0,0,0|3,0,0]=4 4849 B11R0.3 CCSCCSCOCCOC 62a_100000757381_100000231047 [0,1,0,0,0,0|3,0,0]=4 4850 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,1,0,0,0,0|0,0,0]=1 4851 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,1,0,0,0,0|0,0,0]=1 4852 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,1,0,0,0,0|0,0,0]=1 4853 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,1,0,0,0,0|0,0,0]=1 4854 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,1,0,0,0,0|0,0,0]=1 4855 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,1,0,0,0,0|2,0,0]=3 4856 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,1,0,0,0,0|1,0,0]=2 4857 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,1,0,0,0,0|2,0,0]=3 4858 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,1,0,0,0,0|2,1,0]=4 4859 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,1,0,0,0,0|2,0,0]=3 4860 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,1,0,0,0,0|1,0,0]=2 4861 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,1,0,0,0,0|2,0,0]=3 4862 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,1,0,0,0,0|2,0,0]=3 4863 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,1,0,0,0,0|2,0,0]=3 4864 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,1,0,0,0,0|2,0,0]=3 4865 B11R0.3 CNCCOCCOCCCF 34a_100000228057_100011934791 [0,1,0,0,0,0|3,0,0]=4 4866 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,1,0,0,0,0|2,0,0]=3 4867 B11R0.3 CNCCOCCOCCOC 2230a_100012028300_200000210301 [0,1,0,0,0,0|3,0,0]=4 4868 B11R0.3 CNCCOCCOCCOC 2230a_106832991635_100013367474 [0,1,0,0,0,0|3,0,0]=4 4869 B11R0.3 CNCCOCCOCCOC 34a_100000228057_100011201679 [0,1,0,0,0,0|3,0,0]=4 4870 B11R0.3 CNCCOCCOCCOC 34a_100012028300_200000210301 [0,1,0,0,0,0|3,0,0]=4 4871 B11R0.3 CNCCOCCOCCOC 34a_100102657272_100013367474 [0,1,0,0,0,0|3,0,0]=4 4872 B11R0.3 CNCCOCCOCCOC 34a_200014138305_200000210301 [0,1,0,0,0,0|3,0,0]=4 4873 B11R0.3 CNCCOCCOCCOC 7a_106832991635_100013367474 [0,1,0,0,0,0|3,0,0]=4 4874 B11R0.3 CNCCOCCOCCO[13CH3] 34a_200014138305_200025704644 [0,1,0,0,0,0|3,0,0]=4 4875 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,1,0,0,0,0|1,0,0]=2 4876 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,1,0,0,0,0|1,0,0]=2 4877 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,1,0,0,0,0|1,0,0]=2 4878 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,1,0,0,0,0|1,0,0]=2 4879 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,1,0,0,0,0|1,0,0]=2 4880 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,1,0,0,0,0|0,0,0]=1 4881 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,1,0,0,0,0|2,0,0]=3 4882 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,1,0,0,0,0|1,0,0]=2 4883 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,1,0,0,0,0|1,0,0]=2 4884 B11R0.3 COCCCCCCOCC#N 7a_200012092642_100011215382 [0,1,0,0,0,0|2,0,1]=4 4885 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,1,0,0,0,0|1,0,2]=4 4886 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,1,0,0,0,0|1,0,2]=4 4887 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,1,0,0,0,0|2,0,0]=3 4888 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,1,0,0,0,0|2,0,0]=3 4889 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,1,0,0,0,0|2,0,0]=3 4890 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,1,0,0,0,0|2,0,0]=3 4891 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,1,0,0,0,0|1,0,0]=2 4892 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,1,0,0,0,0|1,0,0]=2 4893 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,1,0,0,0,0|2,0,0]=3 4894 B11R0.3 COCCCCCCSCC#N 62a_100011215382_100011998445 [0,1,0,0,0,0|2,0,1]=4 4895 B11R0.3 COCCCCCCSCC#N 62a_100011998445_100011215382 [0,1,0,0,0,0|2,0,1]=4 4896 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,1,0,0,0,0|1,0,2]=4 4897 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,1,0,0,0,0|1,0,2]=4 4898 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,1,0,0,0,0|2,0,0]=3 4899 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,1,0,0,0,0|2,0,0]=3 4900 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,1,0,0,0,0|1,0,0]=2 4901 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,1,0,0,0,0|1,0,0]=2 4902 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,1,0,0,0,0|2,0,0]=3 4903 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,1,0,0,0,0|2,0,0]=3 4904 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,1,0,0,0,0|2,0,0]=3 4905 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,1,0,0,0,0|2,0,0]=3 4906 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,1,0,0,0,0|2,0,1]=4 4907 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,1,0,0,0,0|2,0,0]=3 4908 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,1,0,0,0,0|2,0,0]=3 4909 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,1,0,0,0,0|1,0,0]=2 4910 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,1,0,0,0,0|1,0,0]=2 4911 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,1,0,0,0,0|2,0,0]=3 4912 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,1,0,0,0,0|2,0,0]=3 4913 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,1,0,0,0,0|2,0,0]=3 4914 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,1,0,0,0,0|2,0,0]=3 4915 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,1,0,0,0,0|1,0,0]=2 4916 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,1,0,0,0,0|1,0,0]=2 4917 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,1,0,0,0,0|2,0,0]=3 4918 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,1,0,0,0,0|2,0,0]=3 4919 B11R0.3 COCCCCOCC#CCO 34a_100000740925_200000047223 [0,1,0,0,0,0|1,0,2]=4 4920 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,1,0,0,0,0|2,0,0]=3 4921 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,1,0,0,0,0|2,0,0]=3 4922 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,1,0,0,0,0|2,0,0]=3 4923 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,1,0,0,0,0|2,0,0]=3 4924 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,1,0,0,0,0|2,0,0]=3 4925 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,1,0,0,0,0|2,0,0]=3 4926 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,1,0,0,0,0|2,0,0]=3 4927 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,1,0,0,0,0|2,0,0]=3 4928 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,1,0,0,0,0|1,0,0]=2 4929 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,1,0,0,0,0|2,0,0]=3 4930 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,1,0,0,0,0|2,0,0]=3 4931 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,1,0,0,0,0|2,0,0]=3 4932 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,1,0,0,0,0|2,0,0]=3 4933 B11R0.3 COCCCCSCC#CCO 62a_100000730899_200000047223 [0,1,0,0,0,0|1,0,2]=4 4934 B11R0.3 COCCCCSCC#CCO 62a_200000047223_100000730899 [0,1,0,0,0,0|1,0,2]=4 4935 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,1,0,0,0,0|2,0,1]=4 4936 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,1,0,0,0,0|2,0,1]=4 4937 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,1,0,0,0,0|1,0,2]=4 4938 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,1,0,0,0,0|1,0,2]=4 4939 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,1,0,0,0,0|2,0,0]=3 4940 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,1,0,0,0,0|2,0,0]=3 4941 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,1,0,0,0,0|1,0,0]=2 4942 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,1,0,0,0,0|1,0,0]=2 4943 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,1,0,0,0,0|2,0,0]=3 4944 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,1,0,0,0,0|2,0,0]=3 4945 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,1,0,0,0,0|2,0,0]=3 4946 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,1,0,0,0,0|1,0,0]=2 4947 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,1,0,0,0,0|1,0,0]=2 4948 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,1,0,0,0,0|1,0,0]=2 4949 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,1,0,0,0,0|2,0,0]=3 4950 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,1,0,0,0,0|2,0,0]=3 4951 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,1,0,0,0,0|2,0,0]=3 4952 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,1,0,0,0,0|2,0,0]=3 4953 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,1,0,0,0,0|2,0,0]=3 4954 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,1,0,0,0,0|2,0,0]=3 4955 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,1,0,0,0,0|2,0,0]=3 4956 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,1,0,0,0,0|2,0,0]=3 4957 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,1,0,0,0,0|2,0,0]=3 4958 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,1,0,0,0,0|2,0,0]=3 4959 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,1,0,0,0,0|2,0,0]=3 4960 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,1,0,0,0,0|2,0,0]=3 4961 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,1,0,0,0,0|1,0,0]=2 4962 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,1,0,0,0,0|2,0,0]=3 4963 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,1,0,0,0,0|2,0,0]=3 4964 B11R0.3 COCCCOCCCOCF 34a_200011215475_100015361967 [0,1,0,0,0,0|3,0,0]=4 4965 B11R0.3 COCCCOCCCOCF 7a_200011215475_100015361967 [0,1,0,0,0,0|3,0,0]=4 4966 B11R0.3 COCCCOCCOCCBr 34a_100000692535_100000740836 [0,1,0,0,0,0|3,0,0]=4 4967 B11R0.3 COCCCOCCOCCBr 7a_100000692535_100000740836 [0,1,0,0,0,0|3,0,0]=4 4968 B11R0.3 COCCCOCCOCCCl 34a_100011215305_100000740836 [0,1,0,0,0,0|3,0,0]=4 4969 B11R0.3 COCCCOCCOCCCl 7a_100011215305_100000740836 [0,1,0,0,0,0|3,0,0]=4 4970 B11R0.3 COCCCOCCOCCF 34a_200015357709_100000740836 [0,1,0,0,0,0|3,0,0]=4 4971 B11R0.3 COCCCOCCOCCF 7a_200015357709_100000740836 [0,1,0,0,0,0|3,0,0]=4 4972 B11R0.3 COCCCOCCOCCI 34a_100012149058_100000740836 [0,1,0,0,0,0|3,0,0]=4 4973 B11R0.3 COCCCOCCOCCI 7a_100012149058_100000740836 [0,1,0,0,0,0|3,0,0]=4 4974 B11R0.3 COCCCOCCOCCN 34a_100000211614_100000740836 [0,1,0,0,0,0|3,0,0]=4 4975 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,1,0,0,0,0|2,0,0]=3 4976 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,1,0,0,0,0|2,0,1]=4 4977 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,1,0,0,0,0|2,0,1]=4 4978 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,1,0,0,0,0|1,0,2]=4 4979 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,1,0,0,0,0|1,0,2]=4 4980 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,1,0,0,0,0|2,0,0]=3 4981 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,1,0,0,0,0|2,0,0]=3 4982 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,1,0,0,0,0|1,0,0]=2 4983 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,1,0,0,0,0|1,0,0]=2 4984 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,1,0,0,0,0|2,0,0]=3 4985 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,1,0,0,0,0|2,0,0]=3 4986 B11R0.3 COCCCSCOCCOC 62a_100000231047_100000709357 [0,1,0,0,0,0|3,0,0]=4 4987 B11R0.3 COCCCSCOCCOC 62a_100000709357_100000231047 [0,1,0,0,0,0|3,0,0]=4 4988 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,1,0,0,0,0|2,0,1]=4 4989 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,1,0,0,0,0|1,0,2]=4 4990 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,1,0,0,0,0|2,0,0]=3 4991 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,1,0,0,0,0|1,0,0]=2 4992 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,1,0,0,0,0|1,0,0]=2 4993 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,1,0,0,0,0|1,0,0]=2 4994 B11R0.3 COCCNCCOCCOC 2230a_100000209980_100000695917 [0,1,0,0,0,0|3,0,0]=4 4995 B11R0.3 COCCNCCOCCOC 2230a_100000745349_100011201679 [0,1,0,0,0,0|3,0,0]=4 4996 B11R0.3 COCCNCCOCCOC 34a_100000745349_100011201679 [0,1,0,0,0,0|3,0,0]=4 4997 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,1,0,0,0,0|2,0,0]=3 4998 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,1,0,0,0,0|2,0,0]=3 4999 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,1,0,0,0,0|2,0,0]=3 5000 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,1,0,0,0,0|2,0,0]=3 5001 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,1,0,0,0,0|2,0,0]=3 5002 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,1,0,0,0,0|2,0,0]=3 5003 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,1,0,0,0,0|2,0,0]=3 5004 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,1,0,0,0,0|2,0,0]=3 5005 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,1,0,0,0,0|1,0,0]=2 5006 B11R0.3 COCCOCCCNCCF 2230a_100000206027_100011217306 [0,1,0,0,0,0|3,0,0]=4 5007 B11R0.3 COCCOCCCNCCF 34a_100000206027_100011217306 [0,1,0,0,0,0|3,0,0]=4 5008 B11R0.3 COCCOCCCNCCF 34a_100000724931_100011216529 [0,1,0,0,0,0|3,0,0]=4 5009 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,1,0,0,0,0|2,0,0]=3 5010 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,1,0,0,0,0|2,0,0]=3 5011 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,1,0,0,0,0|2,0,0]=3 5012 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,1,0,0,0,0|2,0,0]=3 5013 B11R0.3 COCCOCCCNCOC 2230a_100000206027_100000766300 [0,1,0,0,0,0|3,0,0]=4 5014 B11R0.3 COCCOCCCNCSC 2230a_100000206027_100011218213 [0,1,0,0,0,0|3,0,0]=4 5015 B11R0.3 COCCOCCCNCSC 34a_100000206027_100011218213 [0,1,0,0,0,0|3,0,0]=4 5016 B11R0.3 COCCOCCCOCCBr 34a_100000211926_100011216529 [0,1,0,0,0,0|3,0,0]=4 5017 B11R0.3 COCCOCCCOCCN 34a_100000210304_100011216529 [0,1,0,0,0,0|3,0,0]=4 5018 B11R0.3 COCCOCCCSCCF 62a_100011216529_100011217306 [0,1,0,0,0,0|3,0,0]=4 5019 B11R0.3 COCCOCCCSCCF 62a_100011217306_100011216529 [0,1,0,0,0,0|3,0,0]=4 5020 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,1,0,0,0,0|2,0,0]=3 5021 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,1,0,0,0,0|2,0,0]=3 5022 B11R0.3 COCCOCCCSCOC 62a_100000766300_100011216529 [0,1,0,0,0,0|3,0,0]=4 5023 B11R0.3 COCCOCCCSCOC 62a_100011216529_100000766300 [0,1,0,0,0,0|3,0,0]=4 5024 B11R0.3 COCCOCCCSCSC 62a_100011216529_100011218213 [0,1,0,0,0,0|3,0,0]=4 5025 B11R0.3 COCCOCCCSCSC 62a_100011218213_100011216529 [0,1,0,0,0,0|3,0,0]=4 5026 B11R0.3 COCCOCCNCCCF 2230a_100000745349_100011934791 [0,1,0,0,0,0|3,0,0]=4 5027 B11R0.3 COCCOCCNCCCF 2230a_100015189416_100000695917 [0,1,0,0,0,0|3,0,0]=4 5028 B11R0.3 COCCOCCNCCCF 34a_100000745349_100011934791 [0,1,0,0,0,0|3,0,0]=4 5029 B11R0.3 COCCOCCNCCCF 34a_100015189416_100000695917 [0,1,0,0,0,0|3,0,0]=4 5030 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,1,0,0,0,0|2,0,0]=3 5031 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,1,0,0,0,0|2,0,0]=3 5032 B11R0.3 COCCOCCNCCSC 2230a_100000745349_100000751147 [0,1,0,0,0,0|3,0,0]=4 5033 B11R0.3 COCCOCCNCCSC 2230a_100020590264_100000695917 [0,1,0,0,0,0|3,0,0]=4 5034 B11R0.3 COCCOCCNCCSC 34a_100000745349_100000212216 [0,1,0,0,0,0|3,0,0]=4 5035 B11R0.3 COCCOCCOCCCBr 34a_100011217188_100000695917 [0,1,0,0,0,0|3,0,0]=4 5036 B11R0.3 COCCOCCOCCCCl 34a_100000230001_100000695917 [0,1,0,0,0,0|3,0,0]=4 5037 B11R0.3 COCCOCCOCCCF 34a_100000759539_100000695917 [0,1,0,0,0,0|3,0,0]=4 5038 B11R0.3 COCCOCCOCCCF 34a_100011215163_100011934791 [0,1,0,0,0,0|3,0,0]=4 5039 B11R0.3 COCCOCCOCCCF 7a_100011215163_100011934791 [0,1,0,0,0,0|3,0,0]=4 5040 B11R0.3 COCCOCCOCCCN 34a_100000182051_100000695917 [0,1,0,0,0,0|3,0,0]=4 5041 B11R0.3 COCCOCCOCCCN 34a_100011996194_200000210301 [0,1,0,0,0,0|3,0,0]=4 5042 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,1,0,0,0,0|2,0,0]=3 5043 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,1,0,0,0,0|2,0,0]=3 5044 B11R0.3 COCCOCCOCCN[13CH3] 2230a_100012028300_200025704644 [0,1,0,0,0,0|3,0,0]=4 5045 B11R0.3 COCCOCCOCCN[13CH3] 34a_100012028300_200025704644 [0,1,0,0,0,0|3,0,0]=4 5046 B11R0.3 COCCOCCOCCOC 34a_100000210237_100000695917 [0,1,0,0,0,0|3,0,0]=4 5047 B11R0.3 COCCOCCOCCOC 34a_100000688194_200000210301 [0,1,0,0,0,0|3,0,0]=4 5048 B11R0.3 COCCOCCOCCOC 34a_100011215163_100011201679 [0,1,0,0,0,0|3,0,0]=4 5049 B11R0.3 COCCOCCOCCOC 34a_100138415774_100013367474 [0,1,0,0,0,0|3,0,0]=4 5050 B11R0.3 COCCOCCOCCOC 7a_100000688194_200000210301 [0,1,0,0,0,0|3,0,0]=4 5051 B11R0.3 COCCOCCOCCOC 7a_100011215163_100000233755 [0,1,0,0,0,0|3,0,0]=4 5052 B11R0.3 COCCOCCOCCON 34a_100000700252_100000695917 [0,1,0,0,0,0|3,0,0]=4 5053 B11R0.3 COCCOCCOCCO[13CH3] 34a_100000688194_200025704644 [0,1,0,0,0,0|3,0,0]=4 5054 B11R0.3 COCCOCCOCCO[13CH3] 7a_100000688194_200025704644 [0,1,0,0,0,0|3,0,0]=4 5055 B11R0.3 COCCOCCOCCSC 34a_100000230434_100000695917 [0,1,0,0,0,0|3,0,0]=4 5056 B11R0.3 COCCOCCOCCSC 34a_100011215163_100000212216 [0,1,0,0,0,0|3,0,0]=4 5057 B11R0.3 COCCOCCOCCSC 62a_100013367474_200000210301 [0,1,0,0,0,0|3,0,0]=4 5058 B11R0.3 COCCOCCOCCSC 62a_200000210301_100013367474 [0,1,0,0,0,0|3,0,0]=4 5059 B11R0.3 COCCOCCOCCSC 7a_100000230434_100000695917 [0,1,0,0,0,0|3,0,0]=4 5060 B11R0.3 COCCOCCOCCSC 7a_100011215163_100000212216 [0,1,0,0,0,0|3,0,0]=4 5061 B11R0.3 COCCOCCOCCS[13CH3] 62a_100013367474_200025704644 [0,1,0,0,0,0|3,0,0]=4 5062 B11R0.3 COCCOCCOCCS[13CH3] 62a_200025704644_100013367474 [0,1,0,0,0,0|3,0,0]=4 5063 B11R0.3 COCCOCCSCCCF 62a_100000695917_100011934791 [0,1,0,0,0,0|3,0,0]=4 5064 B11R0.3 COCCOCCSCCCF 62a_100011934791_100000695917 [0,1,0,0,0,0|3,0,0]=4 5065 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,1,0,0,0,0|2,0,0]=3 5066 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,1,0,0,0,0|2,0,0]=3 5067 B11R0.3 COCCOCCSCCOC 62a_100000233755_100000695917 [0,1,0,0,0,0|3,0,0]=4 5068 B11R0.3 COCCOCCSCCOC 62a_100000695917_100000233755 [0,1,0,0,0,0|3,0,0]=4 5069 B11R0.3 COCCOCCSCCSC 62a_100000212216_100000695917 [0,1,0,0,0,0|3,0,0]=4 5070 B11R0.3 COCCOCCSCCSC 62a_100000695917_100000751147 [0,1,0,0,0,0|3,0,0]=4 5071 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,1,0,0,0,0|2,0,0]=3 5072 B11R0.3 COCCOCNCCCSC 2230a_100000749238_100000231047 [0,1,0,0,0,0|3,0,0]=4 5073 B11R0.3 COCCOCSCCCCF 62a_100000231047_100000729493 [0,1,0,0,0,0|3,0,0]=4 5074 B11R0.3 COCCOCSCCCCF 62a_100000729493_100000231047 [0,1,0,0,0,0|3,0,0]=4 5075 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,1,0,0,0,0|2,0,0]=3 5076 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,1,0,0,0,0|2,0,0]=3 5077 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,1,0,0,0,0|2,0,1]=4 5078 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,1,0,0,0,0|2,0,1]=4 5079 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,1,0,0,0,0|1,0,2]=4 5080 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,1,0,0,0,0|1,0,2]=4 5081 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,1,0,0,0,0|2,0,0]=3 5082 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,1,0,0,0,0|2,0,0]=3 5083 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,1,0,0,0,0|1,0,0]=2 5084 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,1,0,0,0,0|1,0,0]=2 5085 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,1,0,0,0,0|1,0,0]=2 5086 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,1,0,0,0,0|2,0,0]=3 5087 B11R0.3 COCSCCCCCCC#N 62a_100000766300_100009813337 [0,1,0,0,0,0|2,0,1]=4 5088 B11R0.3 COCSCCCCCCC#N 62a_100009813337_100000766300 [0,1,0,0,0,0|2,0,1]=4 5089 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,1,0,0,0,0|1,0,0]=2 5090 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,1,0,0,0,0|1,0,0]=2 5091 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,1,0,0,0,0|0,0,0]=1 5092 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,1,0,0,0,0|0,0,0]=1 5093 B11R0.3 CSCCCCOCC#CCO 34a_100011217163_200000047223 [0,1,0,0,0,0|1,0,2]=4 5094 B11R0.3 CSCCCCOCC#CCO 7a_100011217163_200000047223 [0,1,0,0,0,0|1,0,2]=4 5095 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,1,0,0,0,0|2,0,1]=4 5096 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,1,0,0,0,0|1,0,2]=4 5097 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,1,0,0,0,0|2,0,0]=3 5098 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,1,0,0,0,0|2,0,0]=3 5099 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,1,0,0,0,0|1,0,0]=2 5100 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,1,0,0,0,0|1,0,0]=2 5101 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,1,0,0,0,0|2,0,1]=4 5102 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,1,0,0,0,0|1,0,2]=4 5103 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,1,0,0,0,0|2,0,0]=3 5104 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,1,0,0,0,0|1,0,0]=2 5105 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,1,0,0,0,0|2,0,0]=3 5106 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,1,0,0,0,0|2,0,1]=4 5107 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,1,0,0,0,0|1,0,2]=4 5108 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,1,0,0,0,0|2,0,0]=3 5109 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,1,0,0,0,0|2,0,0]=3 5110 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,1,0,0,0,0|1,0,0]=2 5111 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,1,0,0,0,0|1,0,0]=2 5112 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,1,0,0,0,0|2,0,0]=3 5113 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,1,0,0,0,0|2,0,0]=3 5114 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,1,0,0,0,0|2,0,1]=4 5115 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,1,0,0,0,0|1,0,2]=4 5116 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,1,0,0,0,0|2,0,0]=3 5117 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,1,0,0,0,0|1,0,0]=2 5118 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,1,0,0,0,0|1,0,0]=2 5119 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,1,0,0,0,0|1,0,0]=2 5120 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,1,0,0,0,0|2,0,1]=4 5121 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,1,0,0,0,0|1,0,2]=4 5122 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,1,0,0,0,0|2,0,0]=3 5123 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,1,0,0,0,0|2,0,0]=3 5124 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,1,0,0,0,0|2,0,0]=3 5125 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,1,0,0,0,0|2,0,0]=3 5126 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,1,0,0,0,0|2,0,0]=3 5127 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,1,0,0,0,0|2,0,0]=3 5128 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,1,0,0,0,0|2,0,0]=3 5129 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,1,0,0,0,0|2,0,0]=3 5130 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,1,0,0,0,0|2,0,0]=3 5131 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,1,0,0,0,0|1,0,0]=2 5132 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,1,0,0,0,0|1,0,0]=2 5133 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,1,0,0,0,0|2,0,1]=4 5134 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,1,0,0,0,0|2,0,1]=4 5135 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,1,0,0,0,0|1,0,2]=4 5136 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,1,0,0,0,0|1,0,2]=4 5137 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,1,0,0,0,0|2,0,0]=3 5138 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,1,0,0,0,0|2,0,0]=3 5139 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,1,0,0,0,0|1,0,0]=2 5140 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,1,0,0,0,0|1,0,0]=2 5141 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,1,0,0,0,0|1,0,0]=2 5142 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,1,0,0,0,0|1,0,0]=2 5143 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,1,0,0,0,0|2,0,0]=3 5144 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,1,0,0,0,0|2,0,0]=3 5145 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,1,0,0,0,0|2,0,0]=3 5146 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,1,0,0,0,0|2,0,0]=3 5147 B11R0.3 CSCOCCCOCCCN 34a_100011310245_100011218213 [0,1,0,0,0,0|3,0,0]=4 5148 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,1,0,0,0,0|2,0,1]=4 5149 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,1,0,0,0,0|2,0,1]=4 5150 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,1,0,0,0,0|1,0,0]=2 5151 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,1,0,0,0,0|1,0,0]=2 5152 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,1,0,0,0,0|2,0,0]=3 5153 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,1,0,0,0,0|2,0,0]=3 5154 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,1,0,0,0,0|2,0,0]=3 5155 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,1,0,0,0,0|2,0,0]=3 5156 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,1,0,0,0,0|2,0,0]=3 5157 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,1,0,0,0,0|2,0,0]=3 5158 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,1,0,0,0,0|2,0,0]=3 5159 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,1,0,0,0,0|2,0,0]=3 5160 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,1,0,0,0,0|2,0,0]=3 5161 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,1,0,0,0,0|2,0,0]=3 5162 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,1,0,0,0,0|2,0,0]=3 5163 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,1,0,0,0,0|2,0,0]=3 5164 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,1,0,0,0,0|2,0,0]=3 5165 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,1,0,0,0,0|2,0,0]=3 5166 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,1,0,0,0,0|2,0,0]=3 5167 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,1,0,0,0,0|2,0,0]=3 5168 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,1,0,0,0,0|2,0,0]=3 5169 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,1,0,0,0,0|2,0,0]=3 5170 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,1,0,0,0,0|2,0,0]=3 5171 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,1,0,0,0,0|2,0,0]=3 5172 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,1,0,0,0,0|2,0,0]=3 5173 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,1,0,0,0,0|2,0,0]=3 5174 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,1,0,0,0,0|2,0,0]=3 5175 B11R0.3 FCCCCOCCOCCBr 34a_100000692535_100000729493 [0,1,0,0,0,0|3,0,0]=4 5176 B11R0.3 FCCCCOCCOCCBr 7a_100000692535_100000729493 [0,1,0,0,0,0|3,0,0]=4 5177 B11R0.3 FCCCCOCCOCCCl 34a_100011215305_100000729493 [0,1,0,0,0,0|3,0,0]=4 5178 B11R0.3 FCCCCOCCOCCCl 7a_100011215305_100000729493 [0,1,0,0,0,0|3,0,0]=4 5179 B11R0.3 FCCCCOCCOCCF 34a_200015357709_100000729493 [0,1,0,0,0,0|3,0,0]=4 5180 B11R0.3 FCCCCOCCOCCF 7a_200015357709_100000729493 [0,1,0,0,0,0|3,0,0]=4 5181 B11R0.3 FCCCCOCCOCCI 34a_100012149058_100000729493 [0,1,0,0,0,0|3,0,0]=4 5182 B11R0.3 FCCCCOCCOCCI 7a_100012149058_100000729493 [0,1,0,0,0,0|3,0,0]=4 5183 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,1,0,0,0,0|2,0,0]=3 5184 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,1,0,0,0,0|2,0,0]=3 5185 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,1,0,0,0,0|2,0,0]=3 5186 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,1,0,0,0,0|2,0,0]=3 5187 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,1,0,0,0,0|2,0,0]=3 5188 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,1,0,0,0,0|2,0,0]=3 5189 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,1,0,0,0,0|2,0,0]=3 5190 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,1,0,0,0,0|2,0,0]=3 5191 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,1,0,0,0,0|2,0,0]=3 5192 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,1,0,0,0,0|2,0,0]=3 5193 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,1,0,0,0,0|1,0,1]=3 5194 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,1,0,0,0,0|2,0,1]=4 5195 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,1,0,0,0,0|2,0,1]=4 5196 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,1,0,0,0,0|1,0,1]=3 5197 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,1,0,0,0,0|1,0,1]=3 5198 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,1,0,0,0,0|2,0,1]=4 5199 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,1,0,0,0,0|2,0,1]=4 5200 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,1,0,0,0,0|2,0,1]=4 5201 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,1,0,0,0,0|1,0,1]=3 5202 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,1,0,0,0,0|1,0,1]=3 5203 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,1,0,0,0,0|1,0,1]=3 5204 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,1,0,0,0,0|2,0,1]=4 5205 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,1,0,0,0,0|2,0,1]=4 5206 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,1,0,0,0,0|2,0,1]=4 5207 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,1,0,0,0,0|2,0,1]=4 5208 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,1,0,0,0,0|1,0,1]=3 5209 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,1,0,0,0,0|1,0,1]=3 5210 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,1,0,0,0,0|1,0,1]=3 5211 B11R0.3 N#CCCCNCCOCCO 2230a_100000211614_100000687738 [0,1,0,0,0,0|2,0,1]=4 5212 B11R0.3 N#CCCCNCCSCCO 2230a_100011219999_100000687738 [0,1,0,0,0,0|2,0,1]=4 5213 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,1,0,0,0,0|2,0,1]=4 5214 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,1,0,0,0,0|2,0,1]=4 5215 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,1,0,0,0,0|2,0,1]=4 5216 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,1,0,0,0,0|2,0,1]=4 5217 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,1,0,0,0,0|2,0,1]=4 5218 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,1,0,0,0,0|1,0,1]=3 5219 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,1,0,0,0,0|1,0,1]=3 5220 B11R0.3 N#CCCCSCCOCCO 62a_100000687738_100011215305 [0,1,0,0,0,0|2,0,1]=4 5221 B11R0.3 N#CCCCSCCOCCO 62a_100011215305_100000687738 [0,1,0,0,0,0|2,0,1]=4 5222 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,1,0,0,0,0|1,0,1]=3 5223 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,1,0,0,0,0|2,0,1]=4 5224 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,1,0,0,0,0|2,0,1]=4 5225 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,1,0,0,0,0|2,0,1]=4 5226 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,1,0,0,0,0|2,0,1]=4 5227 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,1,0,0,0,0|2,0,1]=4 5228 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,1,0,0,0,0|1,0,1]=3 5229 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,1,0,0,0,0|1,0,1]=3 5230 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,1,0,0,0,0|1,0,1]=3 5231 B11R0.3 N#CCNCCCOCCCO 2230a_100011310245_100011215382 [0,1,0,0,0,0|2,0,1]=4 5232 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,1,0,0,0,0|2,0,1]=4 5233 B11R0.3 N#CCOCCNCCCCO 2230a_100000750430_200000047693 [0,1,0,0,0,0|2,0,1]=4 5234 B11R0.3 N#CCOCCSCCCCO 62a_100000210776_200000047693 [0,1,0,0,0,0|2,0,1]=4 5235 B11R0.3 N#CCOCCSCCCCO 62a_200000047693_100000210776 [0,1,0,0,0,0|2,0,1]=4 5236 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,1,0,0,0,0|1,0,1]=3 5237 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,1,0,0,0,0|1,0,1]=3 5238 B11R0.3 N#CSCCSCCCCCO 62a_100000034367_100000746330 [0,1,0,0,0,0|2,0,1]=4 5239 B11R0.3 N#CSCCSCCCCCO 62a_100000746330_100000034367 [0,1,0,0,0,0|2,0,1]=4 5240 B11R0.3 N#CSCSCCCCCCO 62a_100000211825_100000766143 [0,1,0,0,0,0|2,0,1]=4 5241 B11R0.3 N#CSCSCCCCCCO 62a_100000766143_100000211825 [0,1,0,0,0,0|2,0,1]=4 5242 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,1,0,0,0,0|2,0,0]=3 5243 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,1,0,0,0,0|1,0,2]=4 5244 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,1,0,0,0,0|2,0,0]=3 5245 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,1,0,0,0,0|1,0,0]=2 5246 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,1,0,0,0,0|2,0,0]=3 5247 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,1,0,0,0,0|1,0,0]=2 5248 B11R0.3 NCCCCCOCC#CCO 34a_100000762737_200000047223 [0,1,0,0,0,0|1,0,2]=4 5249 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,1,0,0,0,0|2,0,0]=3 5250 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,1,0,0,0,0|1,0,0]=2 5251 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,1,0,0,0,0|2,0,0]=3 5252 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,1,0,0,0,0|1,0,0]=2 5253 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,1,0,0,0,0|2,0,0]=3 5254 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,1,0,0,0,0|2,0,0]=3 5255 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,1,0,0,0,0|1,0,0]=2 5256 B11R0.3 NCCCOCCCOCCF 34a_100011310245_100011217306 [0,1,0,0,0,0|3,0,0]=4 5257 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,1,0,0,0,0|2,0,0]=3 5258 B11R0.3 NCCNCCCCCOCF 34a_103619048469_100015361967 [0,1,0,0,0,0|3,0,0]=4 5259 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,1,0,0,0,0|1,0,0]=2 5260 B11R0.3 NCCOCCOCCCCF 34a_100000211614_100000729493 [0,1,0,0,0,0|3,0,0]=4 5261 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,1,0,0,0,0|2,0,0]=3 5262 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,1,0,0,0,0|2,0,0]=3 5263 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,1,0,0,0,0|2,0,0]=3 5264 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,1,0,0,0,0|1,0,2]=4 5265 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,1,0,0,0,0|1,0,2]=4 5266 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,1,0,0,0,0|1,0,2]=4 5267 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,1,0,0,0,0|1,0,1]=3 5268 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,1,0,0,0,0|1,0,1]=3 5269 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,1,0,0,0,0|1,0,1]=3 5270 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,1,0,0,0,0|1,0,2]=4 5271 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,1,0,0,0,0|1,0,2]=4 5272 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,1,0,0,0,0|1,0,2]=4 5273 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,1,0,0,0,0|1,0,2]=4 5274 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,1,0,0,0,0|1,0,1]=3 5275 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,1,0,0,0,0|1,0,1]=3 5276 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,1,0,0,0,0|1,0,1]=3 5277 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,1,0,0,0,0|2,0,1]=4 5278 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,1,0,0,0,0|2,0,1]=4 5279 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,1,0,0,0,0|1,0,2]=4 5280 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,1,0,0,0,0|1,0,2]=4 5281 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,1,0,0,0,0|1,0,2]=4 5282 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,1,0,0,0,0|1,0,2]=4 5283 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,1,0,0,0,0|1,0,2]=4 5284 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,1,0,0,0,0|1,0,1]=3 5285 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,1,0,0,0,0|1,0,1]=3 5286 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,1,0,0,0,0|2,0,1]=4 5287 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,1,0,0,0,0|2,0,1]=4 5288 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,1,0,0,0,0|1,0,1]=3 5289 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,1,0,0,0,0|1,0,1]=3 5290 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,1,0,0,0,0|2,0,1]=4 5291 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,1,0,0,0,0|2,0,1]=4 5292 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,1,0,0,0,0|1,0,2]=4 5293 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,1,0,0,0,0|1,0,2]=4 5294 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,1,0,0,0,0|1,0,1]=3 5295 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,1,0,0,0,0|1,0,1]=3 5296 B11R0.3 OCC#CCNCCCCCO 2230a_100000762737_200000047223 [0,1,0,0,0,0|1,0,2]=4 5297 B11R0.3 OCC#CCNCCCCCO 34a_100000762737_200000047223 [0,1,0,0,0,0|1,0,2]=4 5298 B11R0.3 OCC#CCOCCCCCBr 34a_100000746331_200000047223 [0,1,0,0,0,0|1,0,2]=4 5299 B11R0.3 OCC#CCOCCCCCBr 7a_100000746331_200000047223 [0,1,0,0,0,0|1,0,2]=4 5300 B11R0.3 OCC#CCOCCCCCCl 34a_100000746330_200000047223 [0,1,0,0,0,0|1,0,2]=4 5301 B11R0.3 OCC#CCOCCCCCCl 7a_100000746330_200000047223 [0,1,0,0,0,0|1,0,2]=4 5302 B11R0.3 OCC#CCOCCCCCI 34a_200012148887_200000047223 [0,1,0,0,0,0|1,0,2]=4 5303 B11R0.3 OCC#CCOCCCCCI 7a_200012148887_200000047223 [0,1,0,0,0,0|1,0,2]=4 5304 B11R0.3 OCC#CCSCCCCCF 62a_100000729378_200000047223 [0,1,0,0,0,0|1,0,2]=4 5305 B11R0.3 OCC#CCSCCCCCF 62a_200000047223_100000729378 [0,1,0,0,0,0|1,0,2]=4 5306 B11R0.3 OCC#CCSCCCCCO 62a_100000746330_200000047223 [0,1,0,0,0,0|1,0,2]=4 5307 B11R0.3 OCC#CCSCCCCCO 62a_200000047223_100000746330 [0,1,0,0,0,0|1,0,2]=4 5308 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,1,0,0,0,0|1,0,0]=2 5309 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,1,0,0,0,0|1,0,0]=2 5310 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,1,0,0,0,0|1,0,0]=2 5311 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,1,0,0,0,0|1,0,0]=2 5312 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,1,0,0,0,0|1,0,0]=2 5313 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,1,0,0,0,0|1,0,0]=2 5314 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,1,0,0,0,0|1,0,0]=2 5315 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,1,0,0,0,0|1,0,0]=2 5316 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,1,0,0,0,0|1,0,0]=2 5317 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,1,0,0,0,0|1,0,0]=2 5318 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,1,0,0,0,0|1,0,0]=2 5319 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,1,0,0,0,0|1,0,0]=2 5320 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,1,0,0,0,0|1,0,0]=2 5321 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,1,0,0,0,0|1,0,0]=2 5322 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,1,0,0,0,0|1,0,0]=2 5323 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,1,0,0,0,0|1,0,0]=2 5324 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,1,0,0,0,0|1,0,0]=2 5325 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,1,0,0,0,0|1,0,0]=2 5326 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,1,0,0,0,0|1,0,0]=2 5327 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,1,0,0,0,0|1,0,0]=2 5328 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,1,0,0,0,0|1,0,0]=2 5329 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,1,0,0,0,0|1,0,0]=2 5330 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,1,0,0,0,0|1,0,0]=2 5331 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,1,0,0,0,0|1,0,0]=2 5332 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,1,0,0,0,0|1,0,0]=2 5333 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,1,0,0,0,0|1,0,0]=2 5334 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,1,0,0,0,0|1,0,0]=2 5335 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,1,0,0,0,0|1,0,0]=2 5336 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,1,0,0,0,0|1,0,0]=2 5337 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,1,0,0,0,0|1,0,0]=2 5338 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,1,0,0,0,0|1,0,0]=2 5339 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,1,0,0,0,0|1,0,0]=2 5340 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,1,0,0,0,0|1,0,0]=2 5341 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,1,0,0,0,0|1,0,0]=2 5342 B11R0.3 OCCCCCOCC#CCCl 34a_200000047223_100000746330 [0,1,0,0,0,0|1,0,2]=4 5343 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,1,0,0,0,0|1,0,0]=2 5344 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,1,0,0,0,0|1,0,0]=2 5345 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,1,0,0,0,0|1,0,0]=2 5346 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,1,0,0,0,0|1,0,0]=2 5347 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,1,0,0,0,0|1,0,0]=2 5348 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,1,0,0,0,0|1,0,0]=2 5349 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,1,0,0,0,0|1,0,0]=2 5350 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,1,0,0,0,0|1,0,0]=2 5351 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,1,0,0,0,0|1,0,0]=2 5352 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,1,0,0,0,0|1,0,0]=2 5353 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,1,0,0,0,0|1,0,0]=2 5354 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,1,0,0,0,0|1,0,0]=2 5355 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,1,0,0,0,0|2,0,0]=3 5356 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,1,0,0,0,0|2,0,0]=3 5357 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,1,0,0,0,0|2,0,0]=3 5358 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,1,0,0,0,0|2,0,0]=3 5359 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,1,0,0,0,0|2,0,0]=3 5360 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,1,0,0,0,0|1,0,0]=2 5361 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,1,0,0,0,0|1,0,0]=2 5362 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,1,0,0,0,0|1,0,0]=2 5363 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,1,0,0,0,0|1,0,0]=2 5364 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,1,0,0,0,0|1,0,0]=2 5365 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,1,0,0,0,0|1,0,0]=2 5366 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,1,0,0,0,0|2,0,0]=3 5367 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,1,0,0,0,0|2,0,0]=3 5368 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,1,0,0,0,0|2,0,0]=3 5369 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,1,0,0,0,0|2,0,0]=3 5370 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,1,0,0,0,0|2,0,0]=3 5371 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,1,0,0,0,0|2,0,0]=3 5372 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,1,0,0,0,0|2,0,0]=3 5373 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,1,0,0,0,0|2,0,0]=3 5374 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,1,0,0,0,0|1,0,0]=2 5375 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,1,0,0,0,0|1,0,0]=2 5376 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,1,0,0,0,0|2,0,0]=3 5377 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,1,0,0,0,0|2,0,0]=3 5378 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,1,0,0,0,0|1,0,0]=2 5379 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,1,0,0,0,0|1,0,0]=2 5380 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,1,0,0,0,0|1,0,0]=2 5381 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,1,0,0,0,0|1,0,0]=2 5382 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,1,0,0,0,0|1,0,0]=2 5383 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,1,0,0,0,0|1,0,0]=2 5384 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,1,0,0,0,0|2,0,0]=3 5385 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,1,0,0,0,0|2,0,0]=3 5386 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,1,0,0,0,0|2,0,0]=3 5387 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,1,0,0,0,0|2,0,0]=3 5388 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,1,0,0,0,0|1,0,0]=2 5389 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,1,0,0,0,0|1,0,0]=2 5390 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,1,0,0,0,0|1,0,0]=2 5391 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,1,0,0,0,0|1,0,0]=2 5392 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,1,0,0,0,0|2,0,0]=3 5393 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,1,0,0,0,0|2,0,0]=3 5394 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,1,0,0,0,0|2,0,0]=3 5395 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,1,0,0,0,0|2,0,0]=3 5396 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,1,0,0,0,0|2,0,0]=3 5397 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,1,0,0,0,0|2,0,0]=3 5398 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,1,0,0,0,0|2,0,0]=3 5399 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,1,0,0,0,0|2,0,0]=3 5400 B11R0.3 OCCOCCOCCNCF 34a_100011998139_100015361967 [0,1,0,0,0,0|3,0,0]=4 5401 B11R0.3 OCCOCCOCCSCF 62a_100000032323_100015361967 [0,1,0,0,0,0|3,0,0]=4 5402 B11R0.3 OCCOCCOCCSCF 62a_100015361967_100000032323 [0,1,0,0,0,0|3,0,0]=4 5403 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,1,0,0,0,0|2,0,0]=3 5404 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,1,0,0,0,0|2,0,0]=3 5405 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,1,0,0,0,0|2,0,0]=3 5406 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,1,0,0,0,0|0,0,0]=1 5407 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,1,0,0,0,0|0,0,0]=1 5408 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,1,0,0,0,0|2,0,0]=3 5409 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,1,0,0,0,0|2,0,0]=3 5410 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,1,0,0,0,0|1,0,0]=2 5411 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,1,0,0,0,0|1,0,0]=2 5412 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,1,0,0,0,0|1,0,0]=2 5413 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,1,0,0,0,0|1,0,0]=2 5414 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,1,0,0,0,0|1,0,0]=2 5415 B11R0.3 [13CH3]OCCOCCOCCCN 34a_100011996194_200025704644 [0,1,0,0,0,0|3,0,0]=4 5416 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,1,0,0,0,0|0,0,0]=1 5417 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,1,0,0,0,0|0,0,0]=1 5418 B11R0.3 [N-]=[N+]=NCCCCNCCCO 2230a_100000101370_100000230001 [0,1,0,0,0,0|3,0,0]=4 5419 B11R0.3 [N-]=[N+]=NCCCNCCCCO 2230a_100000744732_100000210776 [0,1,0,0,0,0|3,0,0]=4 5420 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|1,0,2]=4 5421 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|1,0,2]=4 5422 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,0,0,0,0|0,0,3]=4 5423 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,0,0,0,0|0,0,3]=4 5424 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,1,0,0,0,0|2,0,1]=4 5425 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,1,0,0,0,0|2,0,1]=4 5426 B11R0.4 C#CCC(C)OCCCCCO 34a_100000685586_100000746330 [0,1,0,0,0,0|1,0,2]=4 5427 B11R0.4 C#CCC(C)OCCCCCO 7a_100000685586_100000746330 [0,1,0,0,0,0|1,0,2]=4 5428 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,0,0,0,0|1,0,2]=4 5429 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,0,0,0,0|1,0,2]=4 5430 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,1,0,0,0,0|0,0,3]=4 5431 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,1,0,0,0,0|0,0,3]=4 5432 B11R0.4 C#CCCCCCN(C)CCC 2230a_100000747261_100012094781 [0,1,0,0,0,0|2,0,1]=4 5433 B11R0.4 C#CCCCCCN(C)CCC 269982a_100000747261_100012094781 [0,1,0,0,0,0|2,0,1]=4 5434 B11R0.4 C#CCCCCCN(C)CCO 2230a_100000210263_100012094781 [0,1,0,0,0,0|1,0,2]=4 5435 B11R0.4 C#CCCCCCN(C)CCO 269982a_100000210263_100012094781 [0,1,0,0,0,0|1,0,2]=4 5436 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000706060_100000766640 [0,1,0,0,0,0|2,0,1]=4 5437 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000741246_100010269958 [0,1,0,0,0,0|2,0,1]=4 5438 B11R0.4 C#CCCCCNC(C)CCC 34a_100000706060_100000766640 [0,1,0,0,0,0|2,0,1]=4 5439 B11R0.4 C#CCCCCNC(C)CCO 2230a_100000706060_100009893172 [0,1,0,0,0,0|1,0,2]=4 5440 B11R0.4 C#CCCCCNC(C)CCO 34a_100000706060_100009893172 [0,1,0,0,0,0|1,0,2]=4 5441 B11R0.4 C#CCCCCN[C@H](C)CCO 2230a_100000706166_100010269958 [0,1,0,0,0,0|1,0,2]=4 5442 B11R0.4 C#CCCCCN[C@H](C)CCO 34a_100000706166_100010269958 [0,1,0,0,0,0|1,0,2]=4 5443 B11R0.4 C#CCCCCOC(C)CCC 34a_100000764384_100010269958 [0,1,0,0,0,0|2,0,1]=4 5444 B11R0.4 C#CCCCCOC(C)CCC 34a_100000766709_100000766640 [0,1,0,0,0,0|2,0,1]=4 5445 B11R0.4 C#CCCCCOC(C)CCC 7a_100000764384_100010269958 [0,1,0,0,0,0|2,0,1]=4 5446 B11R0.4 C#CCCCCOC(C)CCC 7a_100000766709_100000766640 [0,1,0,0,0,0|2,0,1]=4 5447 B11R0.4 C#CCCCCOC(C)CCO 34a_100000766709_100009893172 [0,1,0,0,0,0|1,0,2]=4 5448 B11R0.4 C#CCCCCOC(C)CCO 7a_100000766709_100009893172 [0,1,0,0,0,0|1,0,2]=4 5449 B11R0.4 C#CCCCCSC(C)CCC 62a_100000766640_100010269958 [0,1,0,0,0,0|2,0,1]=4 5450 B11R0.4 C#CCCCCSC(C)CCC 62a_100010269958_100000766640 [0,1,0,0,0,0|2,0,1]=4 5451 B11R0.4 C#CCCCCSC(C)CCO 62a_100009893172_100010269958 [0,1,0,0,0,0|1,0,2]=4 5452 B11R0.4 C#CCCCCSC(C)CCO 62a_100010269958_100009893172 [0,1,0,0,0,0|1,0,2]=4 5453 B11R0.4 C#CCCCNCC(C)CCC 270004a_100000718082_100000243154 [0,1,0,0,0,0|2,0,1]=4 5454 B11R0.4 C#CCCCNCC(C)CCC 34a_100000718082_100011216630 [0,1,0,0,0,0|2,0,1]=4 5455 B11R0.4 C#CCCCOCC(C)CCC 34a_100000215630_100011216630 [0,1,0,0,0,0|2,0,1]=4 5456 B11R0.4 C#CCCCOCC(C)CCC 34a_100000688023_100000695029 [0,1,0,0,0,0|2,0,1]=4 5457 B11R0.4 C#CCCCOCC(C)CCC 7a_100000215630_100011216630 [0,1,0,0,0,0|2,0,1]=4 5458 B11R0.4 C#CCCCOCC(C)CCC 7a_100000688023_100011215417 [0,1,0,0,0,0|2,0,1]=4 5459 B11R0.4 C#CCCCOC[C@@H](N)CCC 34a_100000732646_100000695029 [0,1,0,0,0,0|2,0,1]=4 5460 B11R0.4 C#CCCCSCC(C)CCC 62a_100011215417_100011216630 [0,1,0,0,0,0|2,0,1]=4 5461 B11R0.4 C#CCCCSCC(C)CCC 62a_100011216630_100011215417 [0,1,0,0,0,0|2,0,1]=4 5462 B11R0.4 C#CCCOCCC(C)CCC 34a_100011217855_100000688953 [0,1,0,0,0,0|2,0,1]=4 5463 B11R0.4 C#CCCOCCC(C)CCC 7a_100011217855_100000688953 [0,1,0,0,0,0|2,0,1]=4 5464 B11R0.4 C#CCCOCC[C@@H](N)CCC 34a_100015193777_100000688953 [0,1,0,0,0,0|2,0,1]=4 5465 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,1,0,0,0,0|2,0,1]=4 5466 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,1,0,0,0,0|2,0,1]=4 5467 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,1,0,0,0,0|2,0,1]=4 5468 B11R0.4 C#CCN(C)CCCCCCO 2230a_100000225692_100000766143 [0,1,0,0,0,0|1,0,2]=4 5469 B11R0.4 C#CCN(C)CCCCCCO 34a_100000225692_100000766143 [0,1,0,0,0,0|1,0,2]=4 5470 B11R0.4 C#CCOCCCC(C)CCC 34a_100011713154_100000184674 [0,1,0,0,0,0|2,0,1]=4 5471 B11R0.4 C#CCOCCCC(C)CCC 7a_100011713154_100000038162 [0,1,0,0,0,0|2,0,1]=4 5472 B11R0.4 C/C=C/C(C)OCCCCCO 34a_200102604097_100000746330 [0,1,0,0,0,0|1,0,2]=4 5473 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|1,0,2]=4 5474 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|1,0,2]=4 5475 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|0,0,3]=4 5476 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|0,0,3]=4 5477 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,1,0,0,0,0|2,0,1]=4 5478 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,1,0,0,0,0|2,0,1]=4 5479 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [0,1,0,0,0,0|1,0,2]=4 5480 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [0,1,0,0,0,0|1,0,2]=4 5481 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,0,0,0,0|1,0,2]=4 5482 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,0,0,0,0|1,0,2]=4 5483 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|0,0,3]=4 5484 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|0,0,3]=4 5485 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [0,1,0,0,0,0|2,0,1]=4 5486 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [0,1,0,0,0,0|2,0,1]=4 5487 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [0,1,0,0,0,0|1,0,2]=4 5488 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [0,1,0,0,0,0|1,0,2]=4 5489 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [0,1,0,0,0,0|2,0,1]=4 5490 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [0,1,0,0,0,0|2,0,1]=4 5491 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [0,1,0,0,0,0|2,0,1]=4 5492 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [0,1,0,0,0,0|2,0,1]=4 5493 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [0,1,0,0,0,0|1,0,2]=4 5494 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [0,1,0,0,0,0|1,0,2]=4 5495 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [0,1,0,0,0,0|1,0,2]=4 5496 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [0,1,0,0,0,0|1,0,2]=4 5497 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,1,0,0,0,0|2,0,1]=4 5498 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,1,0,0,0,0|2,0,1]=4 5499 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,1,0,0,0,0|2,0,1]=4 5500 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,1,0,0,0,0|2,0,1]=4 5501 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [0,1,0,0,0,0|1,0,2]=4 5502 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [0,1,0,0,0,0|1,0,2]=4 5503 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [0,1,0,0,0,0|2,0,1]=4 5504 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [0,1,0,0,0,0|2,0,1]=4 5505 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [0,1,0,0,0,0|1,0,2]=4 5506 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [0,1,0,0,0,0|1,0,2]=4 5507 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [0,1,0,0,0,0|2,0,1]=4 5508 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [0,1,0,0,0,0|2,0,1]=4 5509 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [0,1,0,0,0,0|2,0,1]=4 5510 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [0,1,0,0,0,0|2,0,1]=4 5511 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [0,1,0,0,0,0|2,0,1]=4 5512 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [0,1,0,0,0,0|2,0,1]=4 5513 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [0,1,0,0,0,0|2,0,1]=4 5514 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [0,1,0,0,0,0|2,0,1]=4 5515 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [0,1,0,0,0,0|2,0,1]=4 5516 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [0,1,0,0,0,0|2,0,1]=4 5517 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [0,1,0,0,0,0|2,0,1]=4 5518 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [0,1,0,0,0,0|2,0,1]=4 5519 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [0,1,0,0,0,0|2,0,1]=4 5520 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,1,0,0,0,0|2,0,1]=4 5521 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,1,0,0,0,0|2,0,1]=4 5522 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,1,0,0,0,0|2,0,1]=4 5523 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,1,0,0,0,0|2,0,1]=4 5524 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [0,1,0,0,0,0|1,0,2]=4 5525 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [0,1,0,0,0,0|1,0,2]=4 5526 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [0,1,0,0,0,0|2,0,1]=4 5527 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [0,1,0,0,0,0|2,0,1]=4 5528 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,1,0,0,0,0|2,0,1]=4 5529 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,1,0,0,0,0|2,0,1]=4 5530 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,1,0,0,0,0|1,0,2]=4 5531 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,1,0,0,0,0|1,0,2]=4 5532 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,1,0,0,0,0|2,0,1]=4 5533 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [0,1,0,0,0,0|1,0,2]=4 5534 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,0,0,0,0|0,0,3]=4 5535 B11R0.4 CC#CC(C)OCCCCCO 34a_100011216543_100000746330 [0,1,0,0,0,0|1,0,2]=4 5536 B11R0.4 CC(CC#N)NCCCCCO 2230a_100000762737_100009813641 [0,1,0,0,0,0|2,0,1]=4 5537 B11R0.4 CC(CC#N)SCCCCCO 62a_100000746330_100009813641 [0,1,0,0,0,0|2,0,1]=4 5538 B11R0.4 CC(CC#N)SCCCCCO 62a_100009813641_100000746330 [0,1,0,0,0,0|2,0,1]=4 5539 B11R0.4 CC(CCBr)OCCCCCF 34a_100012276601_100000729378 [0,1,0,0,0,0|3,0,0]=4 5540 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,1,0,0,0,0|2,0,0]=3 5541 B11R0.4 CC(CCBr)OCCOCCO 34a_100012276601_100000692535 [0,1,0,0,0,0|3,0,0]=4 5542 B11R0.4 CC(CCN)COCCCCF 34a_106354213184_100000729493 [0,1,0,0,0,0|3,0,0]=4 5543 B11R0.4 CC(CCN)COCCCCO 34a_106354213184_100011216708 [0,1,0,0,0,0|2,0,0]=3 5544 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,1,0,0,0,0|2,0,0]=3 5545 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,1,0,0,0,0|2,0,0]=3 5546 B11R0.4 CC(CCO)NCCOCCO 2230a_100000211614_100009893172 [0,1,0,0,0,0|3,0,0]=4 5547 B11R0.4 CC(CCO)NCCOCCO 34a_100000211614_100009893172 [0,1,0,0,0,0|3,0,0]=4 5548 B11R0.4 CC(CCO)NCCSCCO 2230a_100011219999_100009893172 [0,1,0,0,0,0|3,0,0]=4 5549 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,1,0,0,0,0|2,0,0]=3 5550 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,1,0,0,0,0|2,0,0]=3 5551 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,1,0,0,0,0|2,0,0]=3 5552 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,1,0,0,0,0|2,0,0]=3 5553 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,1,0,0,0,0|2,0,0]=3 5554 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,1,0,0,0,0|2,0,0]=3 5555 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,1,0,0,0,0|2,0,0]=3 5556 B11R0.4 CC(CCO)OCCOCCBr 34a_100000692535_100009893172 [0,1,0,0,0,0|3,0,0]=4 5557 B11R0.4 CC(CCO)OCCOCCBr 7a_100000692535_100009893172 [0,1,0,0,0,0|3,0,0]=4 5558 B11R0.4 CC(CCO)OCCOCCCl 34a_100011215305_100009893172 [0,1,0,0,0,0|3,0,0]=4 5559 B11R0.4 CC(CCO)OCCOCCCl 7a_100011215305_100009893172 [0,1,0,0,0,0|3,0,0]=4 5560 B11R0.4 CC(CCO)OCCOCCF 34a_200015357709_100009893172 [0,1,0,0,0,0|3,0,0]=4 5561 B11R0.4 CC(CCO)OCCOCCF 7a_200015357709_100009893172 [0,1,0,0,0,0|3,0,0]=4 5562 B11R0.4 CC(CCO)OCCOCCI 34a_100012149058_100009893172 [0,1,0,0,0,0|3,0,0]=4 5563 B11R0.4 CC(CCO)OCCOCCI 7a_100012149058_100009893172 [0,1,0,0,0,0|3,0,0]=4 5564 B11R0.4 CC(CCO)OCCOCCN 34a_100000211614_100009893172 [0,1,0,0,0,0|3,0,0]=4 5565 B11R0.4 CC(CCO)SCCCCC#N 62a_100009893172_100000211819 [0,1,0,0,0,0|2,0,1]=4 5566 B11R0.4 CC(CCO)SCCCCC#N 62a_100011219923_100009893172 [0,1,0,0,0,0|2,0,1]=4 5567 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [0,1,0,0,0,0|2,0,1]=4 5568 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [0,1,0,0,0,0|2,0,1]=4 5569 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,1,0,0,0,0|2,0,0]=3 5570 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,1,0,0,0,0|2,0,0]=3 5571 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,1,0,0,0,0|2,0,0]=3 5572 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,1,0,0,0,0|2,0,0]=3 5573 B11R0.4 CC(CCO)SCCOCCO 62a_100009893172_100011215305 [0,1,0,0,0,0|3,0,0]=4 5574 B11R0.4 CC(CCO)SCCOCCO 62a_100011215305_100009893172 [0,1,0,0,0,0|3,0,0]=4 5575 B11R0.4 CC/C=C\CCN[C@H](C)CCO 2230a_100000706166_100015370543 [0,1,0,0,0,0|1,0,2]=4 5576 B11R0.4 CC/C=C\CCN[C@H](C)CCO 34a_100000706166_100015370543 [0,1,0,0,0,0|1,0,2]=4 5577 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,1,0,0,0,0|1,0,2]=4 5578 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,1,0,0,0,0|1,0,2]=4 5579 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100009893172_100015370543 [0,1,0,0,0,0|1,0,2]=4 5580 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100015370543_100009893172 [0,1,0,0,0,0|1,0,2]=4 5581 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|0,0,3]=4 5582 B11R0.4 CC=CCCCOC(C)CCO 34a_100020645299_100009893172 [0,1,0,0,0,0|1,0,2]=4 5583 B11R0.4 CCC#CCCOC(C)CCO 34a_100000036655_100009893172 [0,1,0,0,0,0|1,0,2]=4 5584 B11R0.4 CCC#CCCOC(C)CCO 7a_100000036655_100009893172 [0,1,0,0,0,0|1,0,2]=4 5585 B11R0.4 CCC/C=C/COC(C)CCO 34a_100016278788_100009893172 [0,1,0,0,0,0|1,0,2]=4 5586 B11R0.4 CCC/C=C/COC(C)CCO 7a_100016278788_100009893172 [0,1,0,0,0,0|1,0,2]=4 5587 B11R0.4 CCCC#CCOC(C)CCO 34a_100000034806_100009893172 [0,1,0,0,0,0|1,0,2]=4 5588 B11R0.4 CCCC#CCOC(C)CCO 7a_100000034806_100009893172 [0,1,0,0,0,0|1,0,2]=4 5589 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,0,0,0,0|1,0,2]=4 5590 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|1,0,1]=3 5591 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|0,0,1]=2 5592 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|0,0,1]=2 5593 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|2,0,1]=4 5594 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,0,0,0,0|1,0,1]=3 5595 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,1,0,0,0,0|2,0,1]=4 5596 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,1,0,0,0,0|2,0,1]=4 5597 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,1,0,0,0,0|2,0,1]=4 5598 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,1,0,0,0,0|2,0,1]=4 5599 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,0,0,0,0|1,0,1]=3 5600 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,0,0,0,0|1,0,1]=3 5601 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,0,0,0,0|1,0,1]=3 5602 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,1,0,0,0,0|2,0,1]=4 5603 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,1,0,0,0,0|2,0,1]=4 5604 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,1,0,0,0,0|2,0,1]=4 5605 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,1,0,0,0,0|2,0,1]=4 5606 B11R0.4 CCCC(C)CCCOCC#N 7a_100011713154_100011215382 [0,1,0,0,0,0|2,0,1]=4 5607 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [0,1,0,0,0,0|1,0,2]=4 5608 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [0,1,0,0,0,0|1,0,2]=4 5609 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [0,1,0,0,0,0|2,0,0]=3 5610 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [0,1,0,0,0,0|2,0,0]=3 5611 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,1,0,0,0,0|1,0,0]=2 5612 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,1,0,0,0,0|1,0,0]=2 5613 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [0,1,0,0,0,0|3,0,0]=4 5614 B11R0.4 CCCC(C)CCOCCC#N 7a_100011217855_100000184422 [0,1,0,0,0,0|2,0,1]=4 5615 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [0,1,0,0,0,0|2,0,0]=3 5616 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [0,1,0,0,0,0|2,0,0]=3 5617 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,1,0,0,0,0|1,0,0]=2 5618 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,1,0,0,0,0|1,0,0]=2 5619 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,1,0,0,0,0|3,0,0]=4 5620 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,1,0,0,0,0|3,0,0]=4 5621 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [0,1,0,0,0,0|3,0,0]=4 5622 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [0,1,0,0,0,0|3,0,0]=4 5623 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,1,0,0,0,0|1,0,0]=2 5624 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,1,0,0,0,0|1,0,0]=2 5625 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,1,0,0,0,0|1,0,0]=2 5626 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,1,0,0,0,0|3,0,0]=4 5627 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,1,0,0,0,0|3,0,0]=4 5628 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [0,1,0,0,0,0|3,0,0]=4 5629 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [0,1,0,0,0,0|3,0,0]=4 5630 B11R0.4 CCCC(C)CNCCOCC 2230a_102516460346_100011216630 [0,1,0,0,0,0|3,0,0]=4 5631 B11R0.4 CCCC(C)CNCCOCC 270004a_102516460346_100000243154 [0,1,0,0,0,0|3,0,0]=4 5632 B11R0.4 CCCC(C)CNCCOCC 34a_102516460346_100011216630 [0,1,0,0,0,0|3,0,0]=4 5633 B11R0.4 CCCC(C)CNCCSCC 2230a_100000106463_100011216630 [0,1,0,0,0,0|3,0,0]=4 5634 B11R0.4 CCCC(C)CNCCSCC 270004a_100000106463_100000243154 [0,1,0,0,0,0|3,0,0]=4 5635 B11R0.4 CCCC(C)COCC#CCO 34a_100000688023_200000047223 [0,1,0,0,0,0|1,0,2]=4 5636 B11R0.4 CCCC(C)COCC#CCO 7a_100000688023_200000047223 [0,1,0,0,0,0|1,0,2]=4 5637 B11R0.4 CCCC(C)COCCCC#N 7a_100000688023_100000687738 [0,1,0,0,0,0|2,0,1]=4 5638 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,1,0,0,0,0|1,0,2]=4 5639 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,1,0,0,0,0|2,0,0]=3 5640 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,1,0,0,0,0|2,0,0]=3 5641 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,1,0,0,0,0|2,0,0]=3 5642 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,1,0,0,0,0|2,0,0]=3 5643 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,1,0,0,0,0|2,0,0]=3 5644 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,1,0,0,0,0|2,0,0]=3 5645 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,1,0,0,0,0|2,0,0]=3 5646 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,1,0,0,0,0|2,0,0]=3 5647 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,1,0,0,0,0|2,0,0]=3 5648 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,1,0,0,0,0|1,0,0]=2 5649 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,1,0,0,0,0|1,0,0]=2 5650 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,1,0,0,0,0|3,0,0]=4 5651 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,1,0,0,0,0|3,0,0]=4 5652 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,1,0,0,0,0|3,0,0]=4 5653 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,1,0,0,0,0|3,0,0]=4 5654 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,1,0,0,0,0|3,0,0]=4 5655 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,1,0,0,0,0|3,0,0]=4 5656 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [0,1,0,0,0,0|3,0,0]=4 5657 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [0,1,0,0,0,0|3,0,0]=4 5658 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [0,1,0,0,0,0|3,0,0]=4 5659 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [0,1,0,0,0,0|3,0,0]=4 5660 B11R0.4 CCCC(C)COCCSCC 34a_100000212035_100011216630 [0,1,0,0,0,0|3,0,0]=4 5661 B11R0.4 CCCC(C)COCCSCC 34a_100000688023_100000757381 [0,1,0,0,0,0|3,0,0]=4 5662 B11R0.4 CCCC(C)COCCSCC 7a_100000212035_100011216630 [0,1,0,0,0,0|3,0,0]=4 5663 B11R0.4 CCCC(C)COCCSCC 7a_100000688023_100000757381 [0,1,0,0,0,0|3,0,0]=4 5664 B11R0.4 CCCC(C)CSCC#CCO 62a_100011216630_200000047223 [0,1,0,0,0,0|1,0,2]=4 5665 B11R0.4 CCCC(C)CSCC#CCO 62a_200000047223_100011216630 [0,1,0,0,0,0|1,0,2]=4 5666 B11R0.4 CCCC(C)CSCCCC#N 62a_100000687738_100011216630 [0,1,0,0,0,0|2,0,1]=4 5667 B11R0.4 CCCC(C)CSCCCC#N 62a_100011216630_100000687738 [0,1,0,0,0,0|2,0,1]=4 5668 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,1,0,0,0,0|1,0,2]=4 5669 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,1,0,0,0,0|1,0,2]=4 5670 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [0,1,0,0,0,0|2,0,0]=3 5671 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [0,1,0,0,0,0|2,0,0]=3 5672 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,1,0,0,0,0|1,0,0]=2 5673 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,1,0,0,0,0|1,0,0]=2 5674 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,1,0,0,0,0|3,0,0]=4 5675 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,1,0,0,0,0|3,0,0]=4 5676 B11R0.4 CCCC(C)CSCCOCC 62a_100000210147_100011216630 [0,1,0,0,0,0|3,0,0]=4 5677 B11R0.4 CCCC(C)CSCCOCC 62a_100011216630_100011215890 [0,1,0,0,0,0|3,0,0]=4 5678 B11R0.4 CCCC(C)CSCCSCC 62a_100000757381_100011216630 [0,1,0,0,0,0|3,0,0]=4 5679 B11R0.4 CCCC(C)CSCCSCC 62a_100011216630_100000757381 [0,1,0,0,0,0|3,0,0]=4 5680 B11R0.4 CCCC(C)NCCCCC#N 2230a_100000741246_100000211819 [0,1,0,0,0,0|2,0,1]=4 5681 B11R0.4 CCCC(C)NCCCCC#N 270004a_100000751965_100000211909 [0,1,0,0,0,0|2,0,1]=4 5682 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,1,0,0,0,0|1,0,2]=4 5683 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,1,0,0,0,0|2,0,0]=3 5684 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,1,0,0,0,0|1,0,0]=2 5685 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,1,0,0,0,0|1,0,0]=2 5686 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,1,0,0,0,0|1,0,0]=2 5687 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,1,0,0,0,0|1,0,0]=2 5688 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,1,0,0,0,0|3,0,0]=4 5689 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [0,1,0,0,0,0|3,0,0]=4 5690 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [0,1,0,0,0,0|3,0,0]=4 5691 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [0,1,0,0,0,0|3,0,0]=4 5692 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [0,1,0,0,0,0|3,0,0]=4 5693 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [0,1,0,0,0,0|2,0,0]=3 5694 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [0,1,0,0,0,0|2,0,0]=3 5695 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [0,1,0,0,0,0|2,0,0]=3 5696 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [0,1,0,0,0,0|2,0,0]=3 5697 B11R0.4 CCCC(C)NCCSCCO 2230a_100011219999_100000766640 [0,1,0,0,0,0|2,0,0]=3 5698 B11R0.4 CCCC(C)NCCSCCO 270004a_100011219999_100000211909 [0,1,0,0,0,0|2,0,0]=3 5699 B11R0.4 CCCC(C)OCCCCC#N 7a_100000764384_100000211819 [0,1,0,0,0,0|2,0,1]=4 5700 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,1,0,0,0,0|1,0,2]=4 5701 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,1,0,0,0,0|2,0,0]=3 5702 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,1,0,0,0,0|2,0,0]=3 5703 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,1,0,0,0,0|2,0,0]=3 5704 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,1,0,0,0,0|2,0,0]=3 5705 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,1,0,0,0,0|2,0,0]=3 5706 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,1,0,0,0,0|2,0,0]=3 5707 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,1,0,0,0,0|2,0,0]=3 5708 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,1,0,0,0,0|2,0,0]=3 5709 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,1,0,0,0,0|2,0,0]=3 5710 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,1,0,0,0,0|1,0,0]=2 5711 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,1,0,0,0,0|1,0,0]=2 5712 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,1,0,0,0,0|3,0,0]=4 5713 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,1,0,0,0,0|3,0,0]=4 5714 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,1,0,0,0,0|3,0,0]=4 5715 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,1,0,0,0,0|3,0,0]=4 5716 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,1,0,0,0,0|3,0,0]=4 5717 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,1,0,0,0,0|3,0,0]=4 5718 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,1,0,0,0,0|3,0,0]=4 5719 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,1,0,0,0,0|3,0,0]=4 5720 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,1,0,0,0,0|3,0,0]=4 5721 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,1,0,0,0,0|3,0,0]=4 5722 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,1,0,0,0,0|3,0,0]=4 5723 B11R0.4 CCCC(C)OCCOCCBr 34a_100000692535_100000766640 [0,1,0,0,0,0|3,0,0]=4 5724 B11R0.4 CCCC(C)OCCOCCBr 7a_100000692535_100000766640 [0,1,0,0,0,0|3,0,0]=4 5725 B11R0.4 CCCC(C)OCCOCCCl 34a_100011215305_100000766640 [0,1,0,0,0,0|3,0,0]=4 5726 B11R0.4 CCCC(C)OCCOCCCl 7a_100011215305_100000766640 [0,1,0,0,0,0|3,0,0]=4 5727 B11R0.4 CCCC(C)OCCOCCF 34a_200015357709_100000766640 [0,1,0,0,0,0|3,0,0]=4 5728 B11R0.4 CCCC(C)OCCOCCF 7a_200015357709_100000766640 [0,1,0,0,0,0|3,0,0]=4 5729 B11R0.4 CCCC(C)OCCOCCI 34a_100012149058_100000766640 [0,1,0,0,0,0|3,0,0]=4 5730 B11R0.4 CCCC(C)OCCOCCI 7a_100012149058_100000766640 [0,1,0,0,0,0|3,0,0]=4 5731 B11R0.4 CCCC(C)OCCOCCN 34a_100000211614_100000766640 [0,1,0,0,0,0|3,0,0]=4 5732 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [0,1,0,0,0,0|2,0,0]=3 5733 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [0,1,0,0,0,0|2,0,0]=3 5734 B11R0.4 CCCC(C)SCCCCC#N 62a_100000766640_100000211819 [0,1,0,0,0,0|2,0,1]=4 5735 B11R0.4 CCCC(C)SCCCCC#N 62a_100011219923_100000766640 [0,1,0,0,0,0|2,0,1]=4 5736 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,1,0,0,0,0|1,0,2]=4 5737 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,1,0,0,0,0|1,0,2]=4 5738 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,1,0,0,0,0|2,0,0]=3 5739 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,1,0,0,0,0|2,0,0]=3 5740 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,1,0,0,0,0|1,0,0]=2 5741 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,1,0,0,0,0|1,0,0]=2 5742 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,1,0,0,0,0|3,0,0]=4 5743 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,1,0,0,0,0|3,0,0]=4 5744 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [0,1,0,0,0,0|3,0,0]=4 5745 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [0,1,0,0,0,0|3,0,0]=4 5746 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [0,1,0,0,0,0|2,0,0]=3 5747 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [0,1,0,0,0,0|2,0,0]=3 5748 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|0,0,3]=4 5749 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|0,0,3]=4 5750 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|0,0,3]=4 5751 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|1,0,2]=4 5752 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|1,0,2]=4 5753 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,1]=3 5754 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,1]=3 5755 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|1,0,1]=3 5756 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|0,0,1]=2 5757 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|0,0,1]=2 5758 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|2,0,1]=4 5759 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|2,0,1]=4 5760 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|2,0,1]=4 5761 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|2,0,1]=4 5762 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|2,0,1]=4 5763 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|2,0,0]=3 5764 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|2,0,0]=3 5765 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|2,0,0]=3 5766 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|2,0,0]=3 5767 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|2,0,0]=3 5768 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|2,0,0]=3 5769 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|2,0,0]=3 5770 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|2,0,0]=3 5771 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|2,0,0]=3 5772 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,1,0,0,0,0|2,0,0]=3 5773 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,1,0,0,0,0|2,0,0]=3 5774 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,1,0,0,0,0|2,0,1]=4 5775 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,1,0,0,0,0|2,0,1]=4 5776 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,1,0,0,0,0|2,0,1]=4 5777 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,1,0,0,0,0|1,0,2]=4 5778 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,1,0,0,0,0|1,0,2]=4 5779 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|2,0,0]=3 5780 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|2,0,0]=3 5781 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|2,0,0]=3 5782 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|2,0,0]=3 5783 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,1,0,0,0,0|2,0,0]=3 5784 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,1,0,0,0,0|2,0,0]=3 5785 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,1,0,0,0,0|1,0,0]=2 5786 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,1,0,0,0,0|1,0,0]=2 5787 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,1,0,0,0,0|1,0,0]=2 5788 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,1,0,0,0,0|1,0,0]=2 5789 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,1,0,0,0,0|3,0,0]=4 5790 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,1,0,0,0,0|3,0,0]=4 5791 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,1,0,0,0,0|3,0,0]=4 5792 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,1,0,0,0,0|3,0,0]=4 5793 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 5794 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 5795 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 5796 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 5797 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|1,0,1]=3 5798 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,1,0,0,0,0|2,0,1]=4 5799 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,1,0,0,0,0|2,0,0]=3 5800 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,1,0,0,0,0|2,0,0]=3 5801 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,1,0,0,0,0|2,0,0]=3 5802 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,1,0,0,0,0|1,0,0]=2 5803 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,1,0,0,0,0|3,0,0]=4 5804 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,1,0,0,0,0|3,0,0]=4 5805 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,1,0,0,0,0|3,0,0]=4 5806 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,1,0,0,0,0|2,0,1]=4 5807 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,1,0,0,0,0|1,0,0]=2 5808 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,1,0,0,0,0|1,0,0]=2 5809 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,1,0,0,0,0|3,0,0]=4 5810 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,1,0,0,0,0|2,0,1]=4 5811 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,1,0,0,0,0|2,0,0]=3 5812 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,0,0,0,0|2,0,0]=3 5813 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,0,0,0,0|2,0,0]=3 5814 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,0,0,0,0|2,0,0]=3 5815 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,0,0,0,0|2,0,0]=3 5816 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,1,0,0,0,0|1,0,0]=2 5817 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,1,0,0,0,0|1,0,0]=2 5818 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,1,0,0,0,0|3,0,0]=4 5819 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,1,0,0,0,0|3,0,0]=4 5820 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,1,0,0,0,0|3,0,0]=4 5821 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,1,0,0,0,0|2,0,1]=4 5822 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,1,0,0,0,0|2,0,1]=4 5823 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,1,0,0,0,0|2,0,0]=3 5824 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,1,0,0,0,0|2,0,0]=3 5825 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,1,0,0,0,0|1,0,0]=2 5826 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,1,0,0,0,0|1,0,0]=2 5827 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,1,0,0,0,0|3,0,0]=4 5828 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,1,0,0,0,0|3,0,0]=4 5829 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|2,0,1]=4 5830 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|2,0,1]=4 5831 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,1,0,0,0,0|2,0,0]=3 5832 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,1,0,0,0,0|2,0,0]=3 5833 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,1,0,0,0,0|3,0,0]=4 5834 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|3,0,0]=4 5835 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,1,0,0,0,0|2,0,1]=4 5836 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|2,0,1]=4 5837 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|2,0,1]=4 5838 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,1]=4 5839 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,1]=4 5840 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,0,0,0,0|2,0,0]=3 5841 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,0,0,0,0|2,0,0]=3 5842 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,0,0,0,0|2,0,0]=3 5843 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,0,0,0,0|2,0,0]=3 5844 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,0]=3 5845 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,1,0,0,0,0|3,0,0]=4 5846 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|3,0,0]=4 5847 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|3,0,0]=4 5848 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|2,0,0]=3 5849 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,1,0,0,0,0|2,0,1]=4 5850 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|2,0,1]=4 5851 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|2,0,1]=4 5852 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,0,1]=4 5853 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,0,1]=4 5854 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,1,0,0,0,0|2,0,0]=3 5855 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,1,0,0,0,0|2,0,0]=3 5856 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,1,0,0,0,0|3,0,0]=4 5857 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,1,0,0,0,0|3,0,0]=4 5858 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,1,0,0,0,0|2,0,1]=4 5859 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,1,0,0,0,0|2,0,1]=4 5860 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|2,0,1]=4 5861 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|1,0,1]=3 5862 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,1,0,0,0,0|2,0,0]=3 5863 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,1,0,0,0,0|2,0,0]=3 5864 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 5865 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 5866 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,1,0,0,0,0|2,0,0]=3 5867 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,1,0,0,0,0|2,0,0]=3 5868 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,1,0,0,0,0|2,0,0]=3 5869 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [0,1,0,0,0,0|3,0,0]=4 5870 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,1,0,0,0,0|2,0,0]=3 5871 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,1,0,0,0,0|2,0,0]=3 5872 B11R0.4 CCCCOCOC(C)CCBr 34a_100012276601_100011995733 [0,1,0,0,0,0|3,0,0]=4 5873 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,1,0,0,0,0|3,0,0]=4 5874 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [0,1,0,0,0,0|3,0,0]=4 5875 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [0,1,0,0,0,0|3,0,0]=4 5876 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,1,0,0,0,0|2,0,0]=3 5877 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,1,0,0,0,0|2,0,0]=3 5878 B11R0.4 CCCN(C)CCCCCC#N 2230a_100000747261_100009813376 [0,1,0,0,0,0|2,0,1]=4 5879 B11R0.4 CCCN(C)CCCCCC#N 269982a_100000747261_100009813376 [0,1,0,0,0,0|2,0,1]=4 5880 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [0,1,0,0,0,0|1,0,2]=4 5881 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [0,1,0,0,0,0|1,0,2]=4 5882 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,1,0,0,0,0|2,0,0]=3 5883 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,1,0,0,0,0|2,0,0]=3 5884 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,1,0,0,0,0|1,0,0]=2 5885 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,1,0,0,0,0|1,0,0]=2 5886 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,1,0,0,0,0|2,0,0]=3 5887 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,1,0,0,0,0|2,0,0]=3 5888 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|2,0,1]=4 5889 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [0,1,0,0,0,0|3,0,0]=4 5890 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [0,1,0,0,0,0|3,0,0]=4 5891 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [0,1,0,0,0,0|3,0,0]=4 5892 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [0,1,0,0,0,0|3,0,0]=4 5893 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,1,0,0,0,0|2,0,0]=3 5894 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,1,0,0,0,0|2,0,0]=3 5895 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,1,0,0,0,0|2,0,0]=3 5896 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,1,0,0,0,0|2,0,0]=3 5897 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,1,0,0,0,0|3,0,0]=4 5898 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,1,0,0,0,0|3,0,0]=4 5899 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,1,0,0,0,0|3,0,0]=4 5900 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,1,0,0,0,0|3,0,0]=4 5901 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,1,0,0,0,0|3,0,0]=4 5902 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,1,0,0,0,0|2,0,0]=3 5903 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,1,0,0,0,0|2,0,0]=3 5904 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [0,1,0,0,0,0|3,0,0]=4 5905 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [0,1,0,0,0,0|3,0,0]=4 5906 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,1,0,0,0,0|2,0,0]=3 5907 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,1,0,0,0,0|2,0,0]=3 5908 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|2,0,1]=4 5909 B11R0.4 CCCSCCNC(C)CCC 2230a_100020603323_100000766640 [0,1,0,0,0,0|3,0,0]=4 5910 B11R0.4 CCCSCCNC(C)CCC 270004a_100020603323_100000211909 [0,1,0,0,0,0|3,0,0]=4 5911 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,1,0,0,0,0|2,0,0]=3 5912 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,1,0,0,0,0|3,0,0]=4 5913 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,1,0,0,0,0|3,0,0]=4 5914 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,1,0,0,0,0|2,0,0]=3 5915 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,1,0,0,0,0|2,0,0]=3 5916 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [0,1,0,0,0,0|2,0,0]=3 5917 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,1,0,0,0,0|1,0,0]=2 5918 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,1,0,0,0,0|3,0,0]=4 5919 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [0,1,0,0,0,0|3,0,0]=4 5920 B11R0.4 CCC[C@H](N)COCC#CCO 34a_100000732646_200000047223 [0,1,0,0,0,0|1,0,2]=4 5921 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,1,0,0,0,0|2,0,0]=3 5922 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,1,0,0,0,0|1,0,0]=2 5923 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,1,0,0,0,0|3,0,0]=4 5924 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [0,1,0,0,0,0|3,0,0]=4 5925 B11R0.4 CCC[C@H](N)COCCSCC 34a_100000732646_100000757381 [0,1,0,0,0,0|3,0,0]=4 5926 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|1,0,1]=3 5927 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,0,0,0,0|2,0,1]=4 5928 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,0,0,0,0|2,0,1]=4 5929 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,0,0,0,0|2,0,1]=4 5930 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,0,0,0,0|2,0,1]=4 5931 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,0,0,0,0|2,0,1]=4 5932 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,0,0,0,0|2,0,1]=4 5933 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,0,0,0,0|2,0,1]=4 5934 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,0,0,0,0|2,0,1]=4 5935 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,0,0,0,0|2,0,1]=4 5936 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,0,0,0,0|2,0,1]=4 5937 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,0,0,0,0|2,0,1]=4 5938 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,0,0,0,0|2,0,1]=4 5939 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,0,0,0,0|2,0,1]=4 5940 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,1,0,0,0,0|2,0,1]=4 5941 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,1,0,0,0,0|2,0,1]=4 5942 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,1,0,0,0,0|2,0,1]=4 5943 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,1,0,0,0,0|2,0,1]=4 5944 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,1,0,0,0,0|2,0,1]=4 5945 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,1,0,0,0,0|2,0,1]=4 5946 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,1,0,0,0,0|2,0,1]=4 5947 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,0,0,0,0|2,0,1]=4 5948 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,1]=4 5949 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,0,0,0,0|2,0,1]=4 5950 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,0,0,0,0|2,0,1]=4 5951 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|2,0,1]=4 5952 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,1,0,0,0,0|2,0,0]=3 5953 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,1,0,0,0,0|2,0,0]=3 5954 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,1,0,0,0,0|2,0,0]=3 5955 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,1,0,0,0,0|2,0,0]=3 5956 B11R0.4 CCOCCCOC(C)CCBr 34a_100012276601_100012232248 [0,1,0,0,0,0|3,0,0]=4 5957 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,1,0,0,0,0|2,0,0]=3 5958 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,1,0,0,0,0|2,0,0]=3 5959 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,1,0,0,0,0|2,0,0]=3 5960 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,1,0,0,0,0|2,0,0]=3 5961 B11R0.4 CCOCCOCC(C)CCN 34a_106354213184_100000210147 [0,1,0,0,0,0|3,0,0]=4 5962 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,1,0,0,0,0|2,0,0]=3 5963 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,1,0,0,0,0|2,0,0]=3 5964 B11R0.4 CCSCCOCC(C)CCN 34a_106354213184_100000757381 [0,1,0,0,0,0|3,0,0]=4 5965 B11R0.4 CN(CC#N)CCCCCCO 2230a_100000748184_100000766143 [0,1,0,0,0,0|2,0,1]=4 5966 B11R0.4 CN(CCO)CCCCCC#N 2230a_100000210263_100009813376 [0,1,0,0,0,0|2,0,1]=4 5967 B11R0.4 CN(CCO)CCCCCC#N 269982a_100000210263_100009813376 [0,1,0,0,0,0|2,0,1]=4 5968 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [0,1,0,0,0,0|2,0,1]=4 5969 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [0,1,0,0,0,0|2,0,1]=4 5970 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,1,0,0,0,0|2,0,0]=3 5971 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,1,0,0,0,0|2,0,0]=3 5972 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,1,0,0,0,0|2,0,0]=3 5973 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,1,0,0,0,0|2,0,0]=3 5974 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|2,0,1]=4 5975 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|1,0,1]=3 5976 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|2,0,1]=4 5977 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,1,0,0,0,0|2,0,0]=3 5978 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,1,0,0,0,0|2,0,0]=3 5979 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,1,0,0,0,0|2,0,0]=3 5980 B11R0.4 COCC(C)NCCOCCO 2230a_100000211614_100000765312 [0,1,0,0,0,0|3,0,0]=4 5981 B11R0.4 COCC(C)NCCOCCO 270004a_100000211614_100000749346 [0,1,0,0,0,0|3,0,0]=4 5982 B11R0.4 COCC(C)NCCOCCO 34a_100000211614_100000765312 [0,1,0,0,0,0|3,0,0]=4 5983 B11R0.4 COCC(C)NCCSCCO 2230a_100011219999_100000765312 [0,1,0,0,0,0|3,0,0]=4 5984 B11R0.4 COCC(C)NCCSCCO 270004a_100011219999_100000749346 [0,1,0,0,0,0|3,0,0]=4 5985 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,1,0,0,0,0|3,0,0]=4 5986 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,1,0,0,0,0|3,0,0]=4 5987 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,1,0,0,0,0|3,0,0]=4 5988 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,1,0,0,0,0|3,0,0]=4 5989 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,1,0,0,0,0|3,0,0]=4 5990 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,1,0,0,0,0|3,0,0]=4 5991 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,1,0,0,0,0|3,0,0]=4 5992 B11R0.4 COCC(C)SCCCCCF 62a_100000729378_100000765312 [0,1,0,0,0,0|3,0,0]=4 5993 B11R0.4 COCC(C)SCCCCCF 62a_100000765312_100000729378 [0,1,0,0,0,0|3,0,0]=4 5994 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,1,0,0,0,0|2,0,0]=3 5995 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,1,0,0,0,0|2,0,0]=3 5996 B11R0.4 COCC(C)SCCOCCO 62a_100000765312_100011215305 [0,1,0,0,0,0|3,0,0]=4 5997 B11R0.4 COCC(C)SCCOCCO 62a_100011215305_100000765312 [0,1,0,0,0,0|3,0,0]=4 5998 B11R0.4 COCC(N)COCCCCF 34a_100000724102_100000729493 [0,1,0,0,0,0|3,0,0]=4 5999 B11R0.4 COCC(N)COCCCCO 34a_100000724102_100011216708 [0,1,0,0,0,0|2,0,0]=3 6000 B11R0.4 COCC(O)CNCCCCF 2230a_100000756049_100000729493 [0,1,0,0,0,0|3,0,0]=4 6001 B11R0.4 COCC(O)CNCCCCF 34a_100000756049_100000729493 [0,1,0,0,0,0|3,0,0]=4 6002 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [0,1,0,0,0,0|2,0,0]=3 6003 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [0,1,0,0,0,0|2,0,0]=3 6004 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [0,1,0,0,0,0|2,0,0]=3 6005 B11R0.4 COCC(O)COCCCCBr 34a_100011216708_100011215053 [0,1,0,0,0,0|3,0,0]=4 6006 B11R0.4 COCC(O)COCCCCCl 34a_100000210776_100011215053 [0,1,0,0,0,0|3,0,0]=4 6007 B11R0.4 COCC(O)COCCCCCl 7a_100000210776_100011215053 [0,1,0,0,0,0|3,0,0]=4 6008 B11R0.4 COCC(O)COCCCCF 34a_100011995726_100011215053 [0,1,0,0,0,0|3,0,0]=4 6009 B11R0.4 COCC(O)COCCCCF 7a_100011995726_100011215053 [0,1,0,0,0,0|3,0,0]=4 6010 B11R0.4 COCC(O)COCCCCI 34a_200012148704_100011215053 [0,1,0,0,0,0|3,0,0]=4 6011 B11R0.4 COCC(O)COCCCCN 34a_100000750430_100011215053 [0,1,0,0,0,0|3,0,0]=4 6012 B11R0.4 COCC(O)CSCCCCF 62a_100000729493_100011215053 [0,1,0,0,0,0|3,0,0]=4 6013 B11R0.4 COCC(O)CSCCCCF 62a_100011215053_100000729493 [0,1,0,0,0,0|3,0,0]=4 6014 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [0,1,0,0,0,0|2,0,0]=3 6015 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [0,1,0,0,0,0|2,0,0]=3 6016 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|2,0,1]=4 6017 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|1,0,1]=3 6018 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,1,0,0,0,0|2,0,0]=3 6019 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,1,0,0,0,0|2,0,0]=3 6020 B11R0.4 COCCCCOC(C)CCBr 34a_100012276601_100000755781 [0,1,0,0,0,0|3,0,0]=4 6021 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,1,0,0,0,0|2,0,0]=3 6022 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,1,0,0,0,0|2,0,0]=3 6023 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,1,0,0,0,0|2,0,0]=3 6024 B11R0.4 COCCCOCC(C)CCN 34a_106354213184_100000740836 [0,1,0,0,0,0|3,0,0]=4 6025 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,1,0,0,0,0|2,0,1]=4 6026 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,1,0,0,0,0|2,0,1]=4 6027 B11R0.4 COCCOCCN(C)CCO 2230a_100000210263_100000695917 [0,1,0,0,0,0|3,0,0]=4 6028 B11R0.4 COCCOCCN(C)CCO 269982a_100000210263_100000695917 [0,1,0,0,0,0|3,0,0]=4 6029 B11R0.4 COCCOCN[C@H](C)CCO 2230a_100000706166_100000231047 [0,1,0,0,0,0|3,0,0]=4 6030 B11R0.4 COCCOCSC(C)CCO 62a_100000231047_100009893172 [0,1,0,0,0,0|3,0,0]=4 6031 B11R0.4 COCCOCSC(C)CCO 62a_100009893172_100000231047 [0,1,0,0,0,0|3,0,0]=4 6032 B11R0.4 COC[C@@H](C)NCCCCCF 2230a_100000764878_100000729378 [0,1,0,0,0,0|3,0,0]=4 6033 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,1,0,0,0,0|2,0,0]=3 6034 B11R0.4 COC[C@@H](C)NCCOCCO 2230a_100000764878_100011215305 [0,1,0,0,0,0|3,0,0]=4 6035 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,1,0,0,0,0|3,0,0]=4 6036 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,1,0,0,0,0|2,0,0]=3 6037 B11R0.4 COC[C@@H](C)OCCOCCO 34a_100011934205_100000692535 [0,1,0,0,0,0|3,0,0]=4 6038 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|2,0,1]=4 6039 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|1,0,1]=3 6040 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,0,0,0,0|2,0,1]=4 6041 B11R0.4 CSCC(C)NCCCCCO 270004a_100000762737_100011216314 [0,1,0,0,0,0|2,0,0]=3 6042 B11R0.4 CSCC(C)NCCOCCO 270004a_100000211614_100011216314 [0,1,0,0,0,0|3,0,0]=4 6043 B11R0.4 CSCC(C)NCCSCCO 270004a_100011219999_100011216314 [0,1,0,0,0,0|3,0,0]=4 6044 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,1,0,0,0,0|2,0,0]=3 6045 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,1,0,0,0,0|2,0,0]=3 6046 B11R0.4 C[C@@H](CC#N)NCCCCCO 2230a_100016994482_100000746330 [0,1,0,0,0,0|2,0,1]=4 6047 B11R0.4 C[C@H](CCO)NCCCCC#N 2230a_100000706166_100000211819 [0,1,0,0,0,0|2,0,1]=4 6048 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [0,1,0,0,0,0|2,0,1]=4 6049 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,1,0,0,0,0|2,0,0]=3 6050 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,1,0,0,0,0|2,0,0]=3 6051 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,1,0,0,0,0|2,0,0]=3 6052 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,1,0,0,0,0|2,0,0]=3 6053 B11R0.4 C[C@H](CCO)NCCOCCO 2230a_100000706166_100011215305 [0,1,0,0,0,0|3,0,0]=4 6054 B11R0.4 C[C@H](CCO)NCCOCCO 34a_100000706166_100000692535 [0,1,0,0,0,0|3,0,0]=4 6055 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,0,0,0,0|1,0,2]=4 6056 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,0,0,0,0|1,0,2]=4 6057 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,1,0,0,0,0|1,0,2]=4 6058 B11R0.4 N#CC[C@H](O)CNCCCCO 2230a_100000750430_100000001066 [0,1,0,0,0,0|2,0,1]=4 6059 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000001066_100000210776 [0,1,0,0,0,0|2,0,1]=4 6060 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000210776_100000001066 [0,1,0,0,0,0|2,0,1]=4 6061 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|1,0,1]=3 6062 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|1,0,1]=3 6063 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|1,0,1]=3 6064 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|1,0,1]=3 6065 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,0,0,0,0|2,0,1]=4 6066 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|1,0,2]=4 6067 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,0,0,0,0|0,0,3]=4 6068 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,1,0,0,0,0|2,0,1]=4 6069 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,1,0,0,0,0|2,0,1]=4 6070 B11R0.40 C#CC(C)NCCCCCCO 2230a_100000707721_100000766143 [0,1,0,0,0,0|1,0,2]=4 6071 B11R0.40 C#CC(C)NCCCCCCO 34a_100000686447_200000035995 [0,1,0,0,0,0|1,0,2]=4 6072 B11R0.40 C#CC(C)NCCCCCCO 34a_100000707721_100000766143 [0,1,0,0,0,0|1,0,2]=4 6073 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,1,0,0,0,0|2,0,1]=4 6074 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,1,0,0,0,0|2,0,1]=4 6075 B11R0.40 C#CC(C)SCCCCCCO 62a_200000035995_100000766143 [0,1,0,0,0,0|1,0,2]=4 6076 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,1,0,0,0,0|2,0,1]=4 6077 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,1,0,0,0,0|2,0,1]=4 6078 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,1,0,0,0,0|2,0,1]=4 6079 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,1,0,0,0,0|2,0,1]=4 6080 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|1,0,2]=4 6081 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|1,0,2]=4 6082 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,0,0,0,0|0,0,3]=4 6083 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 6084 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 6085 B11R0.40 C#CCCCCCNC(C)CC 2230a_100000209981_100012094781 [0,1,0,0,0,0|2,0,1]=4 6086 B11R0.40 C#CCCCCCN[C@H](C)CO 2230a_100000737577_100012094781 [0,1,0,0,0,0|1,0,2]=4 6087 B11R0.40 C#CCCCCCOC(C)CC 34a_100000766912_100011215416 [0,1,0,0,0,0|2,0,1]=4 6088 B11R0.40 C#CCCCCCOC(C)CC 7a_100000210228_100012094781 [0,1,0,0,0,0|2,0,1]=4 6089 B11R0.40 C#CCCCCCOC(C)CC 7a_100000766912_100000758301 [0,1,0,0,0,0|2,0,1]=4 6090 B11R0.40 C#CCCCCCOC(C)CO 34a_100000766912_100012180447 [0,1,0,0,0,0|1,0,2]=4 6091 B11R0.40 C#CCCCCCOC(C)CO 7a_100000766912_100012180447 [0,1,0,0,0,0|1,0,2]=4 6092 B11R0.40 C#CCCCCCSC(C)CC 62a_100000758301_100012094781 [0,1,0,0,0,0|2,0,1]=4 6093 B11R0.40 C#CCCCCCSC(C)CC 62a_100012094781_100000758301 [0,1,0,0,0,0|2,0,1]=4 6094 B11R0.40 C#CCCCCCSC(C)CO 62a_100012180447_100012094781 [0,1,0,0,0,0|1,0,2]=4 6095 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100012094781_100016084084 [0,1,0,0,0,0|1,0,2]=4 6096 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100016084084_100012094781 [0,1,0,0,0,0|1,0,2]=4 6097 B11R0.40 C#CCCCCNCC(C)CC 2230a_100000706060_100000748023 [0,1,0,0,0,0|2,0,1]=4 6098 B11R0.40 C#CCCCCNCC(C)CC 2230a_100020588543_100010269958 [0,1,0,0,0,0|2,0,1]=4 6099 B11R0.40 C#CCCCCNCC(C)CC 34a_100000706060_100000748023 [0,1,0,0,0,0|2,0,1]=4 6100 B11R0.40 C#CCCCCNCC(C)CO 34a_100000744482_100010269958 [0,1,0,0,0,0|1,0,2]=4 6101 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,1,0,0,0,0|2,0,1]=4 6102 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,1,0,0,0,0|2,0,1]=4 6103 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,1,0,0,0,0|2,0,1]=4 6104 B11R0.40 C#CCCCCNCC(O)CO 2230a_100000706060_100011219619 [0,1,0,0,0,0|1,0,2]=4 6105 B11R0.40 C#CCCCCNCC(O)CO 34a_100000706060_100011219619 [0,1,0,0,0,0|1,0,2]=4 6106 B11R0.40 C#CCCCCNC[C@@H](C)CC 2230a_100000706060_100009816398 [0,1,0,0,0,0|2,0,1]=4 6107 B11R0.40 C#CCCCCNC[C@@H](C)CC 34a_100000706060_100009816398 [0,1,0,0,0,0|2,0,1]=4 6108 B11R0.40 C#CCCCCNC[C@@H](C)CO 2230a_100000706060_100000059175 [0,1,0,0,0,0|1,0,2]=4 6109 B11R0.40 C#CCCCCNC[C@@H](C)CO 34a_100000706060_100000059175 [0,1,0,0,0,0|1,0,2]=4 6110 B11R0.40 C#CCCCCNC[C@@H](F)CO 34a_100015665980_100010269958 [0,1,0,0,0,0|1,0,2]=4 6111 B11R0.40 C#CCCCCNC[C@@H](O)CO 2230a_100000706060_100009815848 [0,1,0,0,0,0|1,0,2]=4 6112 B11R0.40 C#CCCCCNC[C@@H](O)CO 34a_100000706060_100009815848 [0,1,0,0,0,0|1,0,2]=4 6113 B11R0.40 C#CCCCCNC[C@H](O)CO 2230a_100020644852_100010269958 [0,1,0,0,0,0|1,0,2]=4 6114 B11R0.40 C#CCCCCOCC(C)CC 34a_100000766709_100000748023 [0,1,0,0,0,0|2,0,1]=4 6115 B11R0.40 C#CCCCCOCC(C)CC 7a_100000766709_100000748023 [0,1,0,0,0,0|2,0,1]=4 6116 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,1,0,0,0,0|2,0,1]=4 6117 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,1,0,0,0,0|2,0,1]=4 6118 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [0,1,0,0,0,0|1,0,2]=4 6119 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [0,1,0,0,0,0|1,0,2]=4 6120 B11R0.40 C#CCCCCOC[C@@H](C)CC 34a_100000766709_100009816398 [0,1,0,0,0,0|2,0,1]=4 6121 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100000766709_100009816398 [0,1,0,0,0,0|2,0,1]=4 6122 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100009816381_100010269958 [0,1,0,0,0,0|2,0,1]=4 6123 B11R0.40 C#CCCCCOC[C@@H](C)CO 34a_100000766709_100000059175 [0,1,0,0,0,0|1,0,2]=4 6124 B11R0.40 C#CCCCCOC[C@@H](C)CO 7a_100000766709_100000059175 [0,1,0,0,0,0|1,0,2]=4 6125 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [0,1,0,0,0,0|1,0,2]=4 6126 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [0,1,0,0,0,0|1,0,2]=4 6127 B11R0.40 C#CCCCCSCC(C)CC 62a_100000748023_100010269958 [0,1,0,0,0,0|2,0,1]=4 6128 B11R0.40 C#CCCCCSCC(C)CC 62a_100010269958_100000748023 [0,1,0,0,0,0|2,0,1]=4 6129 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,1,0,0,0,0|2,0,1]=4 6130 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,1,0,0,0,0|2,0,1]=4 6131 B11R0.40 C#CCCCCSCC(O)CO 62a_100010269958_100011219619 [0,1,0,0,0,0|1,0,2]=4 6132 B11R0.40 C#CCCCCSCC(O)CO 62a_100011219619_100010269958 [0,1,0,0,0,0|1,0,2]=4 6133 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100009816398_100010269958 [0,1,0,0,0,0|2,0,1]=4 6134 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100010269958_100009816398 [0,1,0,0,0,0|2,0,1]=4 6135 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100000059175_100010269958 [0,1,0,0,0,0|1,0,2]=4 6136 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100010269958_100000059175 [0,1,0,0,0,0|1,0,2]=4 6137 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100009815848_100010269958 [0,1,0,0,0,0|1,0,2]=4 6138 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100010269958_100009815848 [0,1,0,0,0,0|1,0,2]=4 6139 B11R0.40 C#CCCCNCCC(C)CC 2230a_100020591266_100000731252 [0,1,0,0,0,0|2,0,1]=4 6140 B11R0.40 C#CCCCNCCC(C)CO 2230a_106354213184_100000731252 [0,1,0,0,0,0|1,0,2]=4 6141 B11R0.40 C#CCCCNCCC(C)CO 34a_106354213184_100000695029 [0,1,0,0,0,0|1,0,2]=4 6142 B11R0.40 C#CCCCOCCC(C)CC 7a_100011215188_100011215417 [0,1,0,0,0,0|2,0,1]=4 6143 B11R0.40 C#CCCOCCCC(C)CC 7a_100011216074_100000688953 [0,1,0,0,0,0|2,0,1]=4 6144 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,1,0,0,0,0|2,0,1]=4 6145 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,1,0,0,0,0|2,0,1]=4 6146 B11R0.40 C#C[C@@H](C)OCCCCCCO 34a_100009815206_100000766143 [0,1,0,0,0,0|1,0,2]=4 6147 B11R0.40 C#C[C@@H](C)OCCCCCCO 7a_100009815206_100000766143 [0,1,0,0,0,0|1,0,2]=4 6148 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|1,0,2]=4 6149 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|0,0,3]=4 6150 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,1,0,0,0,0|2,0,1]=4 6151 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,1,0,0,0,0|2,0,1]=4 6152 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,1,0,0,0,0|1,0,2]=4 6153 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,1,0,0,0,0|1,0,2]=4 6154 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,1,0,0,0,0|2,0,1]=4 6155 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,1,0,0,0,0|1,0,2]=4 6156 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,1,0,0,0,0|2,0,1]=4 6157 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,1,0,0,0,0|1,0,2]=4 6158 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,1,0,0,0,0|2,0,1]=4 6159 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,1,0,0,0,0|1,0,2]=4 6160 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,1,0,0,0,0|1,0,2]=4 6161 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,1,0,0,0,0|2,0,1]=4 6162 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,1,0,0,0,0|2,0,1]=4 6163 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,1,0,0,0,0|2,0,1]=4 6164 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,1,0,0,0,0|2,0,1]=4 6165 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,1,0,0,0,0|1,0,2]=4 6166 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,1,0,0,0,0|1,0,2]=4 6167 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|1,0,2]=4 6168 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|1,0,2]=4 6169 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|0,0,3]=4 6170 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,1,0,0,0,0|2,0,1]=4 6171 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,1,0,0,0,0|2,0,1]=4 6172 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,1,0,0,0,0|2,0,1]=4 6173 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,1,0,0,0,0|1,0,2]=4 6174 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,1,0,0,0,0|2,0,1]=4 6175 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,1,0,0,0,0|2,0,1]=4 6176 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,1,0,0,0,0|2,0,1]=4 6177 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,1,0,0,0,0|1,0,2]=4 6178 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,1,0,0,0,0|1,0,2]=4 6179 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,1,0,0,0,0|2,0,1]=4 6180 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,1,0,0,0,0|2,0,1]=4 6181 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,1,0,0,0,0|1,0,2]=4 6182 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,1,0,0,0,0|1,0,2]=4 6183 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,1,0,0,0,0|1,0,2]=4 6184 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,1,0,0,0,0|2,0,1]=4 6185 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,1,0,0,0,0|2,0,1]=4 6186 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,1,0,0,0,0|2,0,1]=4 6187 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,1,0,0,0,0|2,0,1]=4 6188 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,1,0,0,0,0|1,0,2]=4 6189 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,1,0,0,0,0|2,0,1]=4 6190 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,1,0,0,0,0|2,0,1]=4 6191 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,1,0,0,0,0|2,0,1]=4 6192 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,1,0,0,0,0|1,0,2]=4 6193 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,1,0,0,0,0|1,0,2]=4 6194 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,1,0,0,0,0|2,0,1]=4 6195 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,1,0,0,0,0|2,0,1]=4 6196 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,1,0,0,0,0|1,0,2]=4 6197 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,1,0,0,0,0|1,0,2]=4 6198 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [0,1,0,0,0,0|1,0,2]=4 6199 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,1,0,0,0,0|1,0,2]=4 6200 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,1,0,0,0,0|1,0,2]=4 6201 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,1,0,0,0,0|1,0,2]=4 6202 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,1,0,0,0,0|2,0,1]=4 6203 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,1,0,0,0,0|2,0,1]=4 6204 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,1,0,0,0,0|2,0,1]=4 6205 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,1,0,0,0,0|2,0,1]=4 6206 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,1,0,0,0,0|1,0,2]=4 6207 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,1,0,0,0,0|1,0,2]=4 6208 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,1,0,0,0,0|2,0,1]=4 6209 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,1,0,0,0,0|2,0,1]=4 6210 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,1,0,0,0,0|2,0,1]=4 6211 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,1,0,0,0,0|1,0,2]=4 6212 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,1,0,0,0,0|1,0,2]=4 6213 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,1,0,0,0,0|1,0,2]=4 6214 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,1,0,0,0,0|1,0,2]=4 6215 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,1,0,0,0,0|2,0,1]=4 6216 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,1,0,0,0,0|2,0,1]=4 6217 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,1,0,0,0,0|2,0,1]=4 6218 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,1,0,0,0,0|2,0,1]=4 6219 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,1,0,0,0,0|1,0,2]=4 6220 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,1,0,0,0,0|1,0,2]=4 6221 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,1,0,0,0,0|2,0,1]=4 6222 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,1,0,0,0,0|2,0,1]=4 6223 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,1,0,0,0,0|1,0,2]=4 6224 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,1,0,0,0,0|1,0,2]=4 6225 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,1,0,0,0,0|1,0,2]=4 6226 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,1,0,0,0,0|1,0,2]=4 6227 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,1,0,0,0,0|2,0,1]=4 6228 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,1,0,0,0,0|1,0,2]=4 6229 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,1,0,0,0,0|1,0,2]=4 6230 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,1,0,0,0,0|2,0,1]=4 6231 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,1,0,0,0,0|2,0,1]=4 6232 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,1,0,0,0,0|2,0,1]=4 6233 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,1,0,0,0,0|1,0,2]=4 6234 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000686447_100000184139 [0,1,0,0,0,0|2,0,1]=4 6235 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000737613_100000766143 [0,1,0,0,0,0|2,0,1]=4 6236 B11R0.40 CC(C#N)OCCCCCCO 34a_100011218135_100000766143 [0,1,0,0,0,0|2,0,1]=4 6237 B11R0.40 CC(C#N)SCCCCCCO 62a_100000703298_100000766143 [0,1,0,0,0,0|2,0,1]=4 6238 B11R0.40 CC(C#N)SCCCCCCO 62a_100000766143_100000703298 [0,1,0,0,0,0|2,0,1]=4 6239 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [0,1,0,0,0,0|3,0,0]=4 6240 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [0,1,0,0,0,0|3,0,0]=4 6241 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,1,0,0,0,0|2,0,0]=3 6242 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,1,0,0,0,0|2,0,0]=3 6243 B11R0.40 CC(CN)COCCCCCF 34a_100000744482_100000729378 [0,1,0,0,0,0|3,0,0]=4 6244 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,1,0,0,0,0|2,0,0]=3 6245 B11R0.40 CC(CN)COCCOCCO 34a_100000744482_100000692535 [0,1,0,0,0,0|3,0,0]=4 6246 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|3,0,0]=4 6247 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|2,0,0]=3 6248 B11R0.40 CC(CO)CCNCCCC#N 2230a_106354213184_100000687738 [0,1,0,0,0,0|2,0,1]=4 6249 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,1,0,0,0,0|2,0,1]=4 6250 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [0,1,0,0,0,0|2,0,0]=3 6251 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [0,1,0,0,0,0|2,0,0]=3 6252 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,1,0,0,0,0|2,0,0]=3 6253 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,1,0,0,0,0|2,0,0]=3 6254 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,1,0,0,0,0|2,0,0]=3 6255 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,1,0,0,0,0|2,0,0]=3 6256 B11R0.40 CC(CO)CNCCOCCO 34a_100000744482_100000692535 [0,1,0,0,0,0|3,0,0]=4 6257 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,1,0,0,0,0|2,0,0]=3 6258 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,1,0,0,0,0|2,0,0]=3 6259 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,1,0,0,0,0|2,0,0]=3 6260 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,1,0,0,0,0|2,0,0]=3 6261 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,1,0,0,0,0|2,0,0]=3 6262 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,1,0,0,0,0|2,0,0]=3 6263 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,1,0,0,0,0|2,0,0]=3 6264 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,1,0,0,0,0|2,0,0]=3 6265 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,1,0,0,0,0|2,0,0]=3 6266 B11R0.40 CC(CO)SCCCCCC#N 62a_100012180447_100009813376 [0,1,0,0,0,0|2,0,1]=4 6267 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,1,0,0,0,0|2,0,1]=4 6268 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [0,1,0,0,0,0|2,0,0]=3 6269 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,1,0,0,0,0|2,0,0]=3 6270 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,1,0,0,0,0|1,0,2]=4 6271 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,1,0,0,0,0|1,0,2]=4 6272 B11R0.40 CC/C=C\CCNCC(C)CO 34a_100000744482_100015370543 [0,1,0,0,0,0|1,0,2]=4 6273 B11R0.40 CC/C=C\CCNC[C@@H](F)CO 34a_100015665980_100015370543 [0,1,0,0,0,0|1,0,2]=4 6274 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,1,0,0,0,0|1,0,2]=4 6275 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,1,0,0,0,0|1,0,2]=4 6276 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,1,0,0,0,0|1,0,2]=4 6277 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,1,0,0,0,0|1,0,2]=4 6278 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,1,0,0,0,0|1,0,2]=4 6279 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,1,0,0,0,0|1,0,2]=4 6280 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,1,0,0,0,0|1,0,2]=4 6281 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,1,0,0,0,0|1,0,2]=4 6282 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,1,0,0,0,0|1,0,2]=4 6283 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100000059175_100015370543 [0,1,0,0,0,0|1,0,2]=4 6284 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100015370543_100000059175 [0,1,0,0,0,0|1,0,2]=4 6285 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,1,0,0,0,0|1,0,2]=4 6286 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,1,0,0,0,0|1,0,2]=4 6287 B11R0.40 CC/C=C\CNCCC(C)CO 2230a_106354213184_100103147603 [0,1,0,0,0,0|1,0,2]=4 6288 B11R0.40 CC/C=C\CNCCC(C)CO 34a_106354213184_100103147603 [0,1,0,0,0,0|1,0,2]=4 6289 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,1,0,0,0,0|1,0,2]=4 6290 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [0,1,0,0,0,0|1,0,2]=4 6291 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,1,0,0,0,0|1,0,2]=4 6292 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,1,0,0,0,0|1,0,2]=4 6293 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,1,0,0,0,0|1,0,2]=4 6294 B11R0.40 CCC#CCCOC[C@@H](C)CO 34a_100000036655_100000059175 [0,1,0,0,0,0|1,0,2]=4 6295 B11R0.40 CCC#CCCOC[C@@H](C)CO 7a_100000036655_100000059175 [0,1,0,0,0,0|1,0,2]=4 6296 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,1,0,0,0,0|1,0,2]=4 6297 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,1,0,0,0,0|1,0,2]=4 6298 B11R0.40 CCC#CCNCCC(C)CO 2230a_106354213184_100009813939 [0,1,0,0,0,0|1,0,2]=4 6299 B11R0.40 CCC#CCNCCC(C)CO 34a_106354213184_100009813939 [0,1,0,0,0,0|1,0,2]=4 6300 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|1,0,2]=4 6301 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|0,0,1]=2 6302 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|0,0,1]=2 6303 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|2,0,1]=4 6304 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|2,0,1]=4 6305 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|2,0,1]=4 6306 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|2,0,1]=4 6307 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|2,0,1]=4 6308 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|1,0,1]=3 6309 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,1,0,0,0,0|2,0,1]=4 6310 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,1,0,0,0,0|2,0,1]=4 6311 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|2,0,1]=4 6312 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|2,0,1]=4 6313 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|1,0,1]=3 6314 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|1,0,1]=3 6315 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,1,0,0,0,0|2,0,1]=4 6316 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,1,0,0,0,0|2,0,1]=4 6317 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|1,0,1]=3 6318 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|1,0,1]=3 6319 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,1,0,0,0,0|2,0,1]=4 6320 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,1,0,0,0,0|2,0,1]=4 6321 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,1,0,0,0,0|2,0,1]=4 6322 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,1,0,0,0,0|2,0,1]=4 6323 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,1,0,0,0,0|2,0,0]=3 6324 B11R0.40 CCC(C)CCCOCCC#N 7a_100011216074_100000184422 [0,1,0,0,0,0|2,0,1]=4 6325 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,1,0,0,0,0|2,0,0]=3 6326 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,1,0,0,0,0|1,0,0]=2 6327 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,1,0,0,0,0|3,0,0]=4 6328 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,1,0,0,0,0|3,0,0]=4 6329 B11R0.40 CCC(C)CCNCC#CCO 2230a_100020591266_200000047223 [0,1,0,0,0,0|1,0,2]=4 6330 B11R0.40 CCC(C)CCNCCCC#N 2230a_100020591266_100000687738 [0,1,0,0,0,0|2,0,1]=4 6331 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,1,0,0,0,0|1,0,2]=4 6332 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,1,0,0,0,0|2,0,0]=3 6333 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,1,0,0,0,0|1,0,0]=2 6334 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,1,0,0,0,0|3,0,0]=4 6335 B11R0.40 CCC(C)CCOCC#CCO 7a_100011215188_200000047223 [0,1,0,0,0,0|1,0,2]=4 6336 B11R0.40 CCC(C)CCOCCCC#N 7a_100011215188_100000687738 [0,1,0,0,0,0|2,0,1]=4 6337 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,1,0,0,0,0|1,0,2]=4 6338 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,1,0,0,0,0|2,0,0]=3 6339 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,1,0,0,0,0|1,0,0]=2 6340 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,1,0,0,0,0|3,0,0]=4 6341 B11R0.40 CCC(C)CNCCCCC#N 2230a_100020588543_100000211819 [0,1,0,0,0,0|2,0,1]=4 6342 B11R0.40 CCC(C)CNCCCCC#N 270004a_100000751965_100000243153 [0,1,0,0,0,0|2,0,1]=4 6343 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,1,0,0,0,0|1,0,2]=4 6344 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,1,0,0,0,0|2,0,0]=3 6345 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,1,0,0,0,0|1,0,0]=2 6346 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,1,0,0,0,0|1,0,0]=2 6347 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,1,0,0,0,0|1,0,0]=2 6348 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,1,0,0,0,0|1,0,0]=2 6349 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,1,0,0,0,0|3,0,0]=4 6350 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [0,1,0,0,0,0|2,0,0]=3 6351 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [0,1,0,0,0,0|2,0,0]=3 6352 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [0,1,0,0,0,0|2,0,0]=3 6353 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [0,1,0,0,0,0|2,0,0]=3 6354 B11R0.40 CCC(C)CNCCSCCO 2230a_100011219999_100000748023 [0,1,0,0,0,0|2,0,0]=3 6355 B11R0.40 CCC(C)CNCCSCCO 270004a_100011219999_100000243153 [0,1,0,0,0,0|2,0,0]=3 6356 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,1,0,0,0,0|2,0,0]=3 6357 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,1,0,0,0,0|2,0,0]=3 6358 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,1,0,0,0,0|2,0,0]=3 6359 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,1,0,0,0,0|2,0,0]=3 6360 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,1,0,0,0,0|2,0,0]=3 6361 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,1,0,0,0,0|2,0,0]=3 6362 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,1,0,0,0,0|2,0,0]=3 6363 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,1,0,0,0,0|3,0,0]=4 6364 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,1,0,0,0,0|3,0,0]=4 6365 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,1,0,0,0,0|3,0,0]=4 6366 B11R0.40 CCC(C)COCCOCCBr 34a_100000692535_100000748023 [0,1,0,0,0,0|3,0,0]=4 6367 B11R0.40 CCC(C)COCCOCCBr 7a_100000692535_100000748023 [0,1,0,0,0,0|3,0,0]=4 6368 B11R0.40 CCC(C)COCCOCCCl 34a_100011215305_100000748023 [0,1,0,0,0,0|3,0,0]=4 6369 B11R0.40 CCC(C)COCCOCCCl 7a_100011215305_100000748023 [0,1,0,0,0,0|3,0,0]=4 6370 B11R0.40 CCC(C)COCCOCCF 34a_200015357709_100000748023 [0,1,0,0,0,0|3,0,0]=4 6371 B11R0.40 CCC(C)COCCOCCF 7a_200015357709_100000748023 [0,1,0,0,0,0|3,0,0]=4 6372 B11R0.40 CCC(C)COCCOCCI 34a_100012149058_100000748023 [0,1,0,0,0,0|3,0,0]=4 6373 B11R0.40 CCC(C)COCCOCCI 7a_100012149058_100000748023 [0,1,0,0,0,0|3,0,0]=4 6374 B11R0.40 CCC(C)COCCOCCN 34a_100000211614_100000748023 [0,1,0,0,0,0|3,0,0]=4 6375 B11R0.40 CCC(C)CSCCCCC#N 62a_100000748023_100000211819 [0,1,0,0,0,0|2,0,1]=4 6376 B11R0.40 CCC(C)CSCCCCC#N 62a_100011219923_100000748023 [0,1,0,0,0,0|2,0,1]=4 6377 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,1,0,0,0,0|1,0,2]=4 6378 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,1,0,0,0,0|1,0,2]=4 6379 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,1,0,0,0,0|2,0,0]=3 6380 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,1,0,0,0,0|2,0,0]=3 6381 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,1,0,0,0,0|1,0,0]=2 6382 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,1,0,0,0,0|1,0,0]=2 6383 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,1,0,0,0,0|3,0,0]=4 6384 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,1,0,0,0,0|3,0,0]=4 6385 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [0,1,0,0,0,0|2,0,0]=3 6386 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [0,1,0,0,0,0|2,0,0]=3 6387 B11R0.40 CCC(C)NCCCCCC#N 2230a_100000209981_100009813376 [0,1,0,0,0,0|2,0,1]=4 6388 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,1,0,0,0,0|1,0,2]=4 6389 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,1,0,0,0,0|2,0,0]=3 6390 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,1,0,0,0,0|1,0,0]=2 6391 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,1,0,0,0,0|1,0,0]=2 6392 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,1,0,0,0,0|1,0,0]=2 6393 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,1,0,0,0,0|3,0,0]=4 6394 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,1,0,0,0,0|3,0,0]=4 6395 B11R0.40 CCC(C)NN=CCCCCO 4a_100000718999_100000031955 [0,1,0,0,0,0|2,0,1]=4 6396 B11R0.40 CCC(C)OCCCCCC#N 7a_100000210228_100009813376 [0,1,0,0,0,0|2,0,1]=4 6397 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,1,0,0,0,0|1,0,2]=4 6398 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,1,0,0,0,0|2,0,0]=3 6399 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,1,0,0,0,0|2,0,0]=3 6400 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,1,0,0,0,0|2,0,0]=3 6401 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,1,0,0,0,0|2,0,0]=3 6402 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,1,0,0,0,0|2,0,0]=3 6403 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,1,0,0,0,0|2,0,0]=3 6404 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,1,0,0,0,0|2,0,0]=3 6405 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,0]=3 6406 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,1,0,0,0,0|1,0,0]=2 6407 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,1,0,0,0,0|3,0,0]=4 6408 B11R0.40 CCC(C)SCCCCCC#N 62a_100000758301_100009813376 [0,1,0,0,0,0|2,0,1]=4 6409 B11R0.40 CCC(C)SCCCCCC#N 62a_100009813376_100000758301 [0,1,0,0,0,0|2,0,1]=4 6410 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,1,0,0,0,0|1,0,2]=4 6411 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,1,0,0,0,0|1,0,2]=4 6412 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,1,0,0,0,0|2,0,0]=3 6413 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,1,0,0,0,0|2,0,0]=3 6414 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,1,0,0,0,0|1,0,0]=2 6415 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,1,0,0,0,0|1,0,0]=2 6416 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,1,0,0,0,0|2,0,1]=4 6417 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,1,0,0,0,0|1,0,2]=4 6418 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,1,0,0,0,0|2,0,0]=3 6419 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,1,0,0,0,0|1,0,0]=2 6420 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,1,0,0,0,0|1,0,0]=2 6421 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,0]=2 6422 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,1,0,0,0,0|3,0,0]=4 6423 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,1,0,0,0,0|2,0,0]=3 6424 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,1,0,0,0,0|2,0,0]=3 6425 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,1,0,0,0,0|2,0,0]=3 6426 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,1,0,0,0,0|2,0,0]=3 6427 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,1,0,0,0,0|2,0,0]=3 6428 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,1,0,0,0,0|2,0,0]=3 6429 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,1,0,0,0,0|2,0,0]=3 6430 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,1,0,0,0,0|2,0,0]=3 6431 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,1,0,0,0,0|2,0,0]=3 6432 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,1,0,0,0,0|2,0,0]=3 6433 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,1,0,0,0,0|2,0,0]=3 6434 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,1,0,0,0,0|3,0,0]=4 6435 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,1,0,0,0,0|3,0,0]=4 6436 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,1,0,0,0,0|3,0,0]=4 6437 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,1,0,0,0,0|3,0,0]=4 6438 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,1,0,0,0,0|3,0,0]=4 6439 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,1,0,0,0,0|3,0,0]=4 6440 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,1,0,0,0,0|3,0,0]=4 6441 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,1,0,0,0,0|3,0,0]=4 6442 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,1,0,0,0,0|3,0,0]=4 6443 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,1,0,0,0,0|3,0,0]=4 6444 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,1,0,0,0,0|3,0,0]=4 6445 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,1,0,0,0,0|3,0,0]=4 6446 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,1,0,0,0,0|2,0,1]=4 6447 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,1,0,0,0,0|2,0,1]=4 6448 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,1,0,0,0,0|1,0,2]=4 6449 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,1,0,0,0,0|1,0,2]=4 6450 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,1,0,0,0,0|2,0,0]=3 6451 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,1,0,0,0,0|2,0,0]=3 6452 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,1,0,0,0,0|1,0,0]=2 6453 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,1,0,0,0,0|1,0,0]=2 6454 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,1,0,0,0,0|3,0,0]=4 6455 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,1,0,0,0,0|3,0,0]=4 6456 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,1,0,0,0,0|2,0,0]=3 6457 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,1,0,0,0,0|2,0,0]=3 6458 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,1,0,0,0,0|1,0,2]=4 6459 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,1,0,0,0,0|1,0,2]=4 6460 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,1,0,0,0,0|1,0,2]=4 6461 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,1,0,0,0,0|1,0,2]=4 6462 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,1,0,0,0,0|1,0,2]=4 6463 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,1,0,0,0,0|1,0,2]=4 6464 B11R0.40 CCCC#CCCOC(C)CO 34a_100000042726_100012180447 [0,1,0,0,0,0|1,0,2]=4 6465 B11R0.40 CCCC#CCCOC(C)CO 7a_100000042726_100012180447 [0,1,0,0,0,0|1,0,2]=4 6466 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [0,1,0,0,0,0|1,0,2]=4 6467 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [0,1,0,0,0,0|1,0,2]=4 6468 B11R0.40 CCCC#CCOC[C@@H](C)CO 34a_100000034806_100000059175 [0,1,0,0,0,0|1,0,2]=4 6469 B11R0.40 CCCC#CCOC[C@@H](C)CO 7a_100000034806_100000059175 [0,1,0,0,0,0|1,0,2]=4 6470 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [0,1,0,0,0,0|1,0,2]=4 6471 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [0,1,0,0,0,0|1,0,2]=4 6472 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [0,1,0,0,0,0|1,0,2]=4 6473 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [0,1,0,0,0,0|1,0,2]=4 6474 B11R0.40 CCCCC#CCOC(C)CO 34a_200000034558_100012180447 [0,1,0,0,0,0|1,0,2]=4 6475 B11R0.40 CCCCC#CCOC(C)CO 7a_200000034558_100012180447 [0,1,0,0,0,0|1,0,2]=4 6476 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|0,0,3]=4 6477 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,1]=3 6478 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,1]=3 6479 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|1,0,1]=3 6480 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|0,0,1]=2 6481 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|2,0,1]=4 6482 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 6483 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 6484 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 6485 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,0]=3 6486 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|2,0,0]=3 6487 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|2,0,0]=3 6488 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|2,0,0]=3 6489 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|2,0,0]=3 6490 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|2,0,0]=3 6491 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|2,0,0]=3 6492 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|2,0,0]=3 6493 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|2,0,0]=3 6494 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|2,0,0]=3 6495 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|2,0,1]=4 6496 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|2,0,1]=4 6497 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|2,0,1]=4 6498 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|2,0,1]=4 6499 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,1]=3 6500 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,1]=3 6501 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,1,0,0,0,0|2,0,1]=4 6502 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,1,0,0,0,0|2,0,1]=4 6503 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|2,0,0]=3 6504 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|2,0,0]=3 6505 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|1,0,0]=2 6506 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|1,0,0]=2 6507 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,1,0,0,0,0|2,0,1]=4 6508 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,1,0,0,0,0|2,0,1]=4 6509 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|2,0,0]=3 6510 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|2,0,0]=3 6511 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|2,0,0]=3 6512 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,1,0,0,0,0|2,0,0]=3 6513 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,1,0,0,0,0|2,0,0]=3 6514 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,1,0,0,0,0|2,0,0]=3 6515 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|1,0,0]=2 6516 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|1,0,0]=2 6517 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,1,0,0,0,0|2,0,1]=4 6518 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,1,0,0,0,0|2,0,1]=4 6519 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|2,0,0]=3 6520 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|2,0,0]=3 6521 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|1,0,0]=2 6522 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|3,0,0]=4 6523 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|3,0,0]=4 6524 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,1,0,0,0,0|2,0,1]=4 6525 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,1,0,0,0,0|2,0,1]=4 6526 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|1,0,0]=2 6527 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|1,0,0]=2 6528 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,1,0,0,0,0|2,0,0]=3 6529 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,1,0,0,0,0|2,0,0]=3 6530 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,1,0,0,0,0|2,0,0]=3 6531 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|1,0,0]=2 6532 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|2,0,0]=3 6533 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|2,0,0]=3 6534 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,0]=2 6535 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,1,0,0,0,0|2,0,0]=3 6536 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|1,0,0]=2 6537 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|3,0,0]=4 6538 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|1,0,0]=2 6539 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,1,0,0,0,0|2,0,0]=3 6540 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,0]=2 6541 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,0]=2 6542 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|2,0,1]=4 6543 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|2,0,1]=4 6544 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,1,0,0,0,0|2,0,0]=3 6545 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,1,0,0,0,0|2,0,0]=3 6546 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,0]=3 6547 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|3,0,0]=4 6548 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,1,0,0,0,0|2,0,0]=3 6549 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|2,0,0]=3 6550 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|2,0,0]=3 6551 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,0]=2 6552 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,0]=2 6553 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,1,0,0,0,0|2,0,0]=3 6554 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,1,0,0,0,0|2,0,0]=3 6555 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,1,0,0,0,0|2,0,0]=3 6556 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|1,0,0]=2 6557 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|1,0,0]=2 6558 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,1,0,0,0,0|2,0,0]=3 6559 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,1,0,0,0,0|2,0,0]=3 6560 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,0]=2 6561 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,0]=2 6562 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,0]=3 6563 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|2,0,1]=4 6564 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|2,0,1]=4 6565 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,1,0,0,0,0|2,0,0]=3 6566 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,1,0,0,0,0|2,0,0]=3 6567 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|2,0,0]=3 6568 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|2,0,0]=3 6569 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,0]=2 6570 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,0]=2 6571 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,1,0,0,0,0|2,0,0]=3 6572 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,1,0,0,0,0|2,0,0]=3 6573 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|1,0,0]=2 6574 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|1,0,0]=2 6575 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,1,0,0,0,0|2,0,0]=3 6576 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,1,0,0,0,0|2,0,0]=3 6577 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,0]=2 6578 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,0]=2 6579 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,1,0,0,0,0|2,0,0]=3 6580 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|1,0,0]=2 6581 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|1,0,0]=2 6582 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,1,0,0,0,0|2,0,1]=4 6583 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,1,0,0,0,0|2,0,1]=4 6584 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,1,0,0,0,0|2,0,0]=3 6585 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|3,0,0]=4 6586 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,1,0,0,0,0|3,0,0]=4 6587 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,1,0,0,0,0|3,0,0]=4 6588 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,1,0,0,0,0|2,0,0]=3 6589 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,1,0,0,0,0|3,0,0]=4 6590 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,1,0,0,0,0|2,0,0]=3 6591 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,1,0,0,0,0|3,0,0]=4 6592 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,1,0,0,0,0|2,0,0]=3 6593 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,1,0,0,0,0|3,0,0]=4 6594 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,1,0,0,0,0|3,0,0]=4 6595 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,1,0,0,0,0|3,0,0]=4 6596 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,1,0,0,0,0|3,0,0]=4 6597 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,1,0,0,0,0|3,0,0]=4 6598 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,1,0,0,0,0|3,0,0]=4 6599 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,1,0,0,0,0|2,0,0]=3 6600 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,1,0,0,0,0|2,0,0]=3 6601 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,1,0,0,0,0|3,0,0]=4 6602 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,1,0,0,0,0|3,0,0]=4 6603 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,1,0,0,0,0|2,0,0]=3 6604 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,1,0,0,0,0|2,0,0]=3 6605 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,1,0,0,0,0|2,0,0]=3 6606 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,1,0,0,0,0|3,0,0]=4 6607 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,1,0,0,0,0|2,0,0]=3 6608 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,1,0,0,0,0|3,0,0]=4 6609 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,1,0,0,0,0|2,0,0]=3 6610 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,1,0,0,0,0|2,0,0]=3 6611 B11R0.40 CCCCOCOCC(C)CN 34a_100000744482_100011995733 [0,1,0,0,0,0|3,0,0]=4 6612 B11R0.40 CCCCOCOCC(Cl)CCl 34a_100000033668_100011995733 [0,1,0,0,0,0|3,0,0]=4 6613 B11R0.40 CCCCOCOC[C@H](F)CN 34a_100015665980_100011995733 [0,1,0,0,0,0|3,0,0]=4 6614 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,1,0,0,0,0|3,0,0]=4 6615 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,1,0,0,0,0|3,0,0]=4 6616 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,1,0,0,0,0|3,0,0]=4 6617 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,1,0,0,0,0|3,0,0]=4 6618 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,1,0,0,0,0|2,0,0]=3 6619 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,1,0,0,0,0|2,0,0]=3 6620 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,1,0,0,0,0|3,0,0]=4 6621 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,1,0,0,0,0|3,0,0]=4 6622 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,1,0,0,0,0|2,0,0]=3 6623 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,1,0,0,0,0|2,0,0]=3 6624 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,1,0,0,0,0|3,0,0]=4 6625 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,1,0,0,0,0|3,0,0]=4 6626 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,1,0,0,0,0|2,0,0]=3 6627 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,1,0,0,0,0|2,0,0]=3 6628 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,1,0,0,0,0|3,0,0]=4 6629 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|2,0,1]=4 6630 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|2,0,1]=4 6631 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,1,0,0,0,0|3,0,0]=4 6632 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,1,0,0,0,0|2,0,0]=3 6633 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,1,0,0,0,0|3,0,0]=4 6634 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,1,0,0,0,0|3,0,0]=4 6635 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,1,0,0,0,0|2,0,0]=3 6636 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,1,0,0,0,0|2,0,0]=3 6637 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|2,0,1]=4 6638 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|2,0,1]=4 6639 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,1,0,0,0,0|3,0,0]=4 6640 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,1,0,0,0,0|3,0,0]=4 6641 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,1,0,0,0,0|2,0,0]=3 6642 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,1,0,0,0,0|2,0,0]=3 6643 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,1,0,0,0,0|3,0,0]=4 6644 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,1,0,0,0,0|3,0,0]=4 6645 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,1,0,0,0,0|3,0,0]=4 6646 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,1,0,0,0,0|3,0,0]=4 6647 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,1,0,0,0,0|2,0,0]=3 6648 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,1,0,0,0,0|3,0,0]=4 6649 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,1,0,0,0,0|3,0,0]=4 6650 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,1,0,0,0,0|3,0,0]=4 6651 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,1,0,0,0,0|2,0,0]=3 6652 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,1,0,0,0,0|2,0,0]=3 6653 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,1,0,0,0,0|3,0,0]=4 6654 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,1,0,0,0,0|3,0,0]=4 6655 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,1,0,0,0,0|2,0,0]=3 6656 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,1,0,0,0,0|2,0,0]=3 6657 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,1,0,0,0,0|2,0,0]=3 6658 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,1,0,0,0,0|3,0,0]=4 6659 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,1,0,0,0,0|3,0,0]=4 6660 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,1,0,0,0,0|2,0,0]=3 6661 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,1,0,0,0,0|2,0,0]=3 6662 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,1,0,0,0,0|2,0,0]=3 6663 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,1,0,0,0,0|3,0,0]=4 6664 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,1,0,0,0,0|3,0,0]=4 6665 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,1,0,0,0,0|3,0,0]=4 6666 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,1,0,0,0,0|3,0,0]=4 6667 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,1,0,0,0,0|3,0,0]=4 6668 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,1,0,0,0,0|3,0,0]=4 6669 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,1,0,0,0,0|2,0,0]=3 6670 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,1,0,0,0,0|2,0,0]=3 6671 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,1,0,0,0,0|3,0,0]=4 6672 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,1,0,0,0,0|3,0,0]=4 6673 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,1,0,0,0,0|3,0,0]=4 6674 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,1,0,0,0,0|2,0,0]=3 6675 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,1,0,0,0,0|2,0,0]=3 6676 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,1,0,0,0,0|3,0,0]=4 6677 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,1,0,0,0,0|3,0,0]=4 6678 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,1,0,0,0,0|2,0,0]=3 6679 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,1,0,0,0,0|2,0,0]=3 6680 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,1,0,0,0,0|3,0,0]=4 6681 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,1,0,0,0,0|3,0,0]=4 6682 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,1,0,0,0,0|3,0,0]=4 6683 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,1,0,0,0,0|3,0,0]=4 6684 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,1,0,0,0,0|3,0,0]=4 6685 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,1,0,0,0,0|2,0,0]=3 6686 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,1,0,0,0,0|2,0,0]=3 6687 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,1,0,0,0,0|3,0,0]=4 6688 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,1,0,0,0,0|3,0,0]=4 6689 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,1,0,0,0,0|2,0,0]=3 6690 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,1,0,0,0,0|2,0,0]=3 6691 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,1,0,0,0,0|3,0,0]=4 6692 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,1,0,0,0,0|3,0,0]=4 6693 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,1,0,0,0,0|2,0,0]=3 6694 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,1,0,0,0,0|2,0,0]=3 6695 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,1,0,0,0,0|3,0,0]=4 6696 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,1,0,0,0,0|3,0,0]=4 6697 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,1,0,0,0,0|3,0,0]=4 6698 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,1,0,0,0,0|2,0,0]=3 6699 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,1,0,0,0,0|3,0,0]=4 6700 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,1,0,0,0,0|2,0,0]=3 6701 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,1,0,0,0,0|3,0,0]=4 6702 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,1,0,0,0,0|2,0,0]=3 6703 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,1,0,0,0,0|3,0,0]=4 6704 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,1,0,0,0,0|3,0,0]=4 6705 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,1,0,0,0,0|3,0,0]=4 6706 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,1,0,0,0,0|3,0,0]=4 6707 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,1,0,0,0,0|2,0,0]=3 6708 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,1,0,0,0,0|2,0,0]=3 6709 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,1,0,0,0,0|3,0,0]=4 6710 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,1,0,0,0,0|3,0,0]=4 6711 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,1,0,0,0,0|2,0,0]=3 6712 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,1,0,0,0,0|2,0,0]=3 6713 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,1,0,0,0,0|3,0,0]=4 6714 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,1,0,0,0,0|3,0,0]=4 6715 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,1,0,0,0,0|2,0,0]=3 6716 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,1,0,0,0,0|2,0,0]=3 6717 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 6718 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 6719 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,1,0,0,0,0|1,0,0]=2 6720 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,1,0,0,0,0|1,0,0]=2 6721 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,1,0,0,0,0|3,0,0]=4 6722 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,1,0,0,0,0|3,0,0]=4 6723 B11R0.40 CCN(C)CCCNCCCF 2230a_100015189416_100015186262 [0,1,0,0,0,0|3,0,0]=4 6724 B11R0.40 CCN(C)CCCSCCCF 62a_100011934791_100015186262 [0,1,0,0,0,0|3,0,0]=4 6725 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,1,0,0,0,0|2,0,0]=3 6726 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,1,0,0,0,0|2,0,0]=3 6727 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,1,0,0,0,0|3,0,0]=4 6728 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,1,0,0,0,0|3,0,0]=4 6729 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,1,0,0,0,0|3,0,0]=4 6730 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,1,0,0,0,0|3,0,0]=4 6731 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,1,0,0,0,0|2,0,0]=3 6732 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,1,0,0,0,0|3,0,0]=4 6733 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,1,0,0,0,0|3,0,0]=4 6734 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,1,0,0,0,0|3,0,0]=4 6735 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,1,0,0,0,0|2,0,0]=3 6736 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,1,0,0,0,0|2,0,0]=3 6737 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,1,0,0,0,0|3,0,0]=4 6738 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,1,0,0,0,0|3,0,0]=4 6739 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,1,0,0,0,0|2,0,0]=3 6740 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,1,0,0,0,0|2,0,0]=3 6741 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,1,0,0,0,0|2,0,0]=3 6742 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,1,0,0,0,0|3,0,0]=4 6743 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,1,0,0,0,0|3,0,0]=4 6744 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,1,0,0,0,0|2,0,0]=3 6745 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,1,0,0,0,0|2,0,0]=3 6746 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,1,0,0,0,0|2,0,0]=3 6747 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,1,0,0,0,0|3,0,0]=4 6748 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,1,0,0,0,0|3,0,0]=4 6749 B11R0.40 CCOCCCOCC(C)CN 34a_100000744482_100012232248 [0,1,0,0,0,0|3,0,0]=4 6750 B11R0.40 CCOCCCOCC(Cl)CCl 34a_100000033668_100012232248 [0,1,0,0,0,0|3,0,0]=4 6751 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,1,0,0,0,0|3,0,0]=4 6752 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,1,0,0,0,0|3,0,0]=4 6753 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,1,0,0,0,0|2,0,0]=3 6754 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,1,0,0,0,0|2,0,0]=3 6755 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,1,0,0,0,0|3,0,0]=4 6756 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,1,0,0,0,0|3,0,0]=4 6757 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,1,0,0,0,0|3,0,0]=4 6758 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,1,0,0,0,0|2,0,0]=3 6759 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,1,0,0,0,0|2,0,0]=3 6760 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,1,0,0,0,0|3,0,0]=4 6761 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,1,0,0,0,0|3,0,0]=4 6762 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,1,0,0,0,0|2,0,0]=3 6763 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,1,0,0,0,0|2,0,0]=3 6764 B11R0.40 CCOCCCOC[C@H](F)CN 34a_100015665980_100012232248 [0,1,0,0,0,0|3,0,0]=4 6765 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,1,0,0,0,0|3,0,0]=4 6766 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,1,0,0,0,0|3,0,0]=4 6767 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,1,0,0,0,0|3,0,0]=4 6768 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,1,0,0,0,0|3,0,0]=4 6769 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,1,0,0,0,0|2,0,0]=3 6770 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,1,0,0,0,0|2,0,0]=3 6771 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,1,0,0,0,0|3,0,0]=4 6772 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,1,0,0,0,0|3,0,0]=4 6773 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,1,0,0,0,0|2,0,0]=3 6774 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,1,0,0,0,0|2,0,0]=3 6775 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,1,0,0,0,0|3,0,0]=4 6776 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,1,0,0,0,0|3,0,0]=4 6777 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,1,0,0,0,0|2,0,0]=3 6778 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,1,0,0,0,0|2,0,0]=3 6779 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,1,0,0,0,0|3,0,0]=4 6780 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,1,0,0,0,0|2,0,0]=3 6781 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,1,0,0,0,0|2,0,0]=3 6782 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,0,0,0,0|2,0,1]=4 6783 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,1,0,0,0,0|3,0,0]=4 6784 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,1,0,0,0,0|3,0,0]=4 6785 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,1,0,0,0,0|3,0,0]=4 6786 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,1,0,0,0,0|3,0,0]=4 6787 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,1,0,0,0,0|3,0,0]=4 6788 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,1,0,0,0,0|2,0,0]=3 6789 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,1,0,0,0,0|2,0,0]=3 6790 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,1,0,0,0,0|3,0,0]=4 6791 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,1,0,0,0,0|3,0,0]=4 6792 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,1,0,0,0,0|2,0,0]=3 6793 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,1,0,0,0,0|2,0,0]=3 6794 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,1,0,0,0,0|3,0,0]=4 6795 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,1,0,0,0,0|3,0,0]=4 6796 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,1,0,0,0,0|2,0,0]=3 6797 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,1,0,0,0,0|2,0,0]=3 6798 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,1,0,0,0,0|3,0,0]=4 6799 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,1,0,0,0,0|2,0,0]=3 6800 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,1,0,0,0,0|2,0,0]=3 6801 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,1,0,0,0,0|3,0,0]=4 6802 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,1,0,0,0,0|1,0,0]=2 6803 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,1,0,0,0,0|1,0,0]=2 6804 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [0,1,0,0,0,0|2,0,0]=3 6805 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [0,1,0,0,0,0|2,0,0]=3 6806 B11R0.40 CC[C@H](C)CNCCSCCO 2230a_100011219999_100009816398 [0,1,0,0,0,0|2,0,0]=3 6807 B11R0.40 CC[C@H](C)COCCCCC#N 7a_100009816381_100000211819 [0,1,0,0,0,0|2,0,1]=4 6808 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,1,0,0,0,0|1,0,2]=4 6809 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,1,0,0,0,0|2,0,0]=3 6810 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,1,0,0,0,0|2,0,0]=3 6811 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,1,0,0,0,0|2,0,0]=3 6812 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,1,0,0,0,0|2,0,0]=3 6813 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,1,0,0,0,0|2,0,0]=3 6814 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,1,0,0,0,0|2,0,0]=3 6815 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,1,0,0,0,0|2,0,0]=3 6816 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,1,0,0,0,0|2,0,0]=3 6817 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,1,0,0,0,0|1,0,0]=2 6818 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,1,0,0,0,0|3,0,0]=4 6819 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,1,0,0,0,0|3,0,0]=4 6820 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,1,0,0,0,0|3,0,0]=4 6821 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,1,0,0,0,0|3,0,0]=4 6822 B11R0.40 CC[C@H](C)COCCOCCBr 34a_100000692535_100009816398 [0,1,0,0,0,0|3,0,0]=4 6823 B11R0.40 CC[C@H](C)COCCOCCBr 7a_100000692535_100009816398 [0,1,0,0,0,0|3,0,0]=4 6824 B11R0.40 CC[C@H](C)COCCOCCCl 34a_100011215305_100009816398 [0,1,0,0,0,0|3,0,0]=4 6825 B11R0.40 CC[C@H](C)COCCOCCCl 7a_100011215305_100009816398 [0,1,0,0,0,0|3,0,0]=4 6826 B11R0.40 CC[C@H](C)COCCOCCF 34a_200015357709_100009816398 [0,1,0,0,0,0|3,0,0]=4 6827 B11R0.40 CC[C@H](C)COCCOCCF 7a_200015357709_100009816398 [0,1,0,0,0,0|3,0,0]=4 6828 B11R0.40 CC[C@H](C)COCCOCCI 34a_100012149058_100009816398 [0,1,0,0,0,0|3,0,0]=4 6829 B11R0.40 CC[C@H](C)COCCOCCI 7a_100012149058_100009816398 [0,1,0,0,0,0|3,0,0]=4 6830 B11R0.40 CC[C@H](C)COCCOCCN 34a_100000211614_100009816398 [0,1,0,0,0,0|3,0,0]=4 6831 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [0,1,0,0,0,0|2,0,0]=3 6832 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100009816398_100000211819 [0,1,0,0,0,0|2,0,1]=4 6833 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100011219923_100009816398 [0,1,0,0,0,0|2,0,1]=4 6834 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,1,0,0,0,0|1,0,2]=4 6835 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,1,0,0,0,0|1,0,2]=4 6836 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,1,0,0,0,0|2,0,0]=3 6837 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,1,0,0,0,0|2,0,0]=3 6838 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,1,0,0,0,0|1,0,0]=2 6839 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,1,0,0,0,0|1,0,0]=2 6840 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,1,0,0,0,0|3,0,0]=4 6841 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,1,0,0,0,0|3,0,0]=4 6842 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [0,1,0,0,0,0|2,0,0]=3 6843 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [0,1,0,0,0,0|2,0,0]=3 6844 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,1]=3 6845 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,0,0,0,0|2,0,1]=4 6846 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,0,0,0,0|2,0,1]=4 6847 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,0,0,0,0|2,0,1]=4 6848 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,0,0,0,0|2,0,1]=4 6849 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,0,0,0,0|2,0,1]=4 6850 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,0,0,0,0|2,0,1]=4 6851 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,0,0,0,0|2,0,1]=4 6852 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,1]=4 6853 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,0,0,0,0|2,0,1]=4 6854 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,0,0,0,0|2,0,1]=4 6855 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,0,0,0,0|2,0,1]=4 6856 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|2,0,1]=4 6857 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 6858 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 6859 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|2,0,1]=4 6860 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|2,0,1]=4 6861 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 6862 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,1]=4 6863 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,1]=4 6864 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,1]=4 6865 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,1]=4 6866 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,1]=4 6867 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,1,0,0,0,0|2,0,0]=3 6868 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [0,1,0,0,0,0|3,0,0]=4 6869 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|2,0,1]=4 6870 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|2,0,1]=4 6871 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|2,0,1]=4 6872 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|2,0,1]=4 6873 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|2,0,1]=4 6874 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|2,0,1]=4 6875 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|2,0,1]=4 6876 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|2,0,1]=4 6877 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|2,0,1]=4 6878 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|2,0,1]=4 6879 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|2,0,1]=4 6880 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|2,0,1]=4 6881 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|2,0,1]=4 6882 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,1]=4 6883 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|2,0,1]=4 6884 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|2,0,1]=4 6885 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,1,0,0,0,0|3,0,0]=4 6886 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,1,0,0,0,0|2,0,0]=3 6887 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,1,0,0,0,0|3,0,0]=4 6888 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,1,0,0,0,0|2,0,0]=3 6889 B11R0.40 COC(C)COCCOCCO 34a_100000690652_100000692535 [0,1,0,0,0,0|3,0,0]=4 6890 B11R0.40 COC(C)SCCCCCCF 62a_100009879195_100015922095 [0,1,0,0,0,0|3,0,0]=4 6891 B11R0.40 COC(C)SCCCCCCF 62a_100015922095_100009879195 [0,1,0,0,0,0|3,0,0]=4 6892 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,1,0,0,0,0|2,0,0]=3 6893 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,1,0,0,0,0|2,0,0]=3 6894 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|1,0,1]=3 6895 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|2,0,1]=4 6896 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|2,0,1]=4 6897 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,1,0,0,0,0|2,0,0]=3 6898 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,1,0,0,0,0|2,0,0]=3 6899 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,1,0,0,0,0|2,0,0]=3 6900 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,1,0,0,0,0|2,0,0]=3 6901 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,1,0,0,0,0|2,0,0]=3 6902 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [0,1,0,0,0,0|3,0,0]=4 6903 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [0,1,0,0,0,0|3,0,0]=4 6904 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,1,0,0,0,0|2,0,0]=3 6905 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,1,0,0,0,0|2,0,0]=3 6906 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,1,0,0,0,0|3,0,0]=4 6907 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,1,0,0,0,0|2,0,0]=3 6908 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [0,1,0,0,0,0|3,0,0]=4 6909 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,1,0,0,0,0|2,0,0]=3 6910 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,1,0,0,0,0|2,0,0]=3 6911 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,1,0,0,0,0|2,0,0]=3 6912 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,1,0,0,0,0|2,0,0]=3 6913 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,1,0,0,0,0|3,0,0]=4 6914 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,1,0,0,0,0|3,0,0]=4 6915 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,1,0,0,0,0|2,0,0]=3 6916 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,1,0,0,0,0|2,0,0]=3 6917 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [0,1,0,0,0,0|2,0,0]=3 6918 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [0,1,0,0,0,0|2,0,0]=3 6919 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,0,0,0,0|2,0,1]=4 6920 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,1,0,0,0,0|3,0,0]=4 6921 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [0,1,0,0,0,0|3,0,0]=4 6922 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [0,1,0,0,0,0|3,0,0]=4 6923 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [0,1,0,0,0,0|3,0,0]=4 6924 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [0,1,0,0,0,0|3,0,0]=4 6925 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [0,1,0,0,0,0|3,0,0]=4 6926 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [0,1,0,0,0,0|3,0,0]=4 6927 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [0,1,0,0,0,0|3,0,0]=4 6928 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [0,1,0,0,0,0|3,0,0]=4 6929 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,1,0,0,0,0|3,0,0]=4 6930 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,1,0,0,0,0|3,0,0]=4 6931 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,1,0,0,0,0|3,0,0]=4 6932 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [0,1,0,0,0,0|3,0,0]=4 6933 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [0,1,0,0,0,0|3,0,0]=4 6934 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,1,0,0,0,0|3,0,0]=4 6935 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,1,0,0,0,0|3,0,0]=4 6936 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,1,0,0,0,0|3,0,0]=4 6937 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,1,0,0,0,0|2,0,0]=3 6938 B11R0.40 CO[C@H](C)CNCCOCCO 2230a_100020591295_100011215305 [0,1,0,0,0,0|3,0,0]=4 6939 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,1,0,0,0,0|2,0,0]=3 6940 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,1,0,0,0,0|2,0,0]=3 6941 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,1,0,0,0,0|2,0,0]=3 6942 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,1,0,0,0,0|2,0,0]=3 6943 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,1,0,0,0,0|3,0,0]=4 6944 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,1,0,0,0,0|3,0,0]=4 6945 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,1,0,0,0,0|2,0,0]=3 6946 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,1,0,0,0,0|2,0,0]=3 6947 B11R0.40 CSCCOCCC[C@@H](C)CN 34a_100160569302_100000212216 [0,1,0,0,0,0|3,0,0]=4 6948 B11R0.40 C[C@@H](CN)CCCOCCCF 34a_100160569302_100011934791 [0,1,0,0,0,0|3,0,0]=4 6949 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,1,0,0,0,0|2,0,0]=3 6950 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,1,0,0,0,0|2,0,0]=3 6951 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,1,0,0,0,0|2,0,0]=3 6952 B11R0.40 C[C@@H](CO)CNCCOCCO 2230a_100000211614_100000059175 [0,1,0,0,0,0|3,0,0]=4 6953 B11R0.40 C[C@@H](CO)CNCCOCCO 34a_100000211614_100000059175 [0,1,0,0,0,0|3,0,0]=4 6954 B11R0.40 C[C@@H](CO)CNCCSCCO 2230a_100011219999_100000059175 [0,1,0,0,0,0|3,0,0]=4 6955 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,1,0,0,0,0|2,0,0]=3 6956 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,1,0,0,0,0|2,0,0]=3 6957 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,1,0,0,0,0|2,0,0]=3 6958 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,1,0,0,0,0|2,0,0]=3 6959 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,1,0,0,0,0|2,0,0]=3 6960 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,1,0,0,0,0|2,0,0]=3 6961 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,1,0,0,0,0|2,0,0]=3 6962 B11R0.40 C[C@@H](CO)COCCOCCBr 34a_100000692535_100000059175 [0,1,0,0,0,0|3,0,0]=4 6963 B11R0.40 C[C@@H](CO)COCCOCCBr 7a_100000692535_100000059175 [0,1,0,0,0,0|3,0,0]=4 6964 B11R0.40 C[C@@H](CO)COCCOCCCl 34a_100011215305_100000059175 [0,1,0,0,0,0|3,0,0]=4 6965 B11R0.40 C[C@@H](CO)COCCOCCCl 7a_100011215305_100000059175 [0,1,0,0,0,0|3,0,0]=4 6966 B11R0.40 C[C@@H](CO)COCCOCCF 34a_200015357709_100000059175 [0,1,0,0,0,0|3,0,0]=4 6967 B11R0.40 C[C@@H](CO)COCCOCCF 7a_200015357709_100000059175 [0,1,0,0,0,0|3,0,0]=4 6968 B11R0.40 C[C@@H](CO)COCCOCCI 34a_100012149058_100000059175 [0,1,0,0,0,0|3,0,0]=4 6969 B11R0.40 C[C@@H](CO)COCCOCCI 7a_100012149058_100000059175 [0,1,0,0,0,0|3,0,0]=4 6970 B11R0.40 C[C@@H](CO)COCCOCCN 34a_100000211614_100000059175 [0,1,0,0,0,0|3,0,0]=4 6971 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100000059175_100000211819 [0,1,0,0,0,0|2,0,1]=4 6972 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100011219923_100000059175 [0,1,0,0,0,0|2,0,1]=4 6973 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,1,0,0,0,0|2,0,1]=4 6974 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,1,0,0,0,0|2,0,1]=4 6975 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,1,0,0,0,0|2,0,0]=3 6976 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,1,0,0,0,0|2,0,0]=3 6977 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,1,0,0,0,0|2,0,0]=3 6978 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,1,0,0,0,0|2,0,0]=3 6979 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100000059175_100011215305 [0,1,0,0,0,0|3,0,0]=4 6980 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100011215305_100000059175 [0,1,0,0,0,0|3,0,0]=4 6981 B11R0.40 C[C@H](CO)NCCCCCC#N 2230a_100000737577_100009813376 [0,1,0,0,0,0|2,0,1]=4 6982 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,1,0,0,0,0|2,0,1]=4 6983 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [0,1,0,0,0,0|2,0,0]=3 6984 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,1,0,0,0,0|2,0,0]=3 6985 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100009813376_100016084084 [0,1,0,0,0,0|2,0,1]=4 6986 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100016084084_100009813376 [0,1,0,0,0,0|2,0,1]=4 6987 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,1,0,0,0,0|2,0,1]=4 6988 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,1,0,0,0,0|2,0,1]=4 6989 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [0,1,0,0,0,0|2,0,0]=3 6990 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [0,1,0,0,0,0|2,0,0]=3 6991 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,1,0,0,0,0|2,0,0]=3 6992 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,1,0,0,0,0|2,0,0]=3 6993 B11R0.40 FCCCCCOCC(Cl)CCl 34a_100000033668_100000729378 [0,1,0,0,0,0|3,0,0]=4 6994 B11R0.40 N#CC(F)SCCCCCCO 62a_100000766143_200000117898 [0,1,0,0,0,0|2,0,1]=4 6995 B11R0.40 N#CC(F)SCCCCCCO 62a_200000117898_100000766143 [0,1,0,0,0,0|2,0,1]=4 6996 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,0,0,0,0|1,0,2]=4 6997 B11R0.40 N#CCCCCNC[C@H](O)CO 2230a_100020644852_100000211819 [0,1,0,0,0,0|2,0,1]=4 6998 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219619_100000211819 [0,1,0,0,0,0|2,0,1]=4 6999 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219923_100011219619 [0,1,0,0,0,0|2,0,1]=4 7000 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100009815848_100000211819 [0,1,0,0,0,0|2,0,1]=4 7001 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100011219923_100009815848 [0,1,0,0,0,0|2,0,1]=4 7002 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,0]=3 7003 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|3,0,0]=4 7004 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,0]=3 7005 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,1,0,0,0,0|3,0,0]=4 7006 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,1,0,0,0,0|3,0,0]=4 7007 B11R0.40 NC[C@@H](F)COCCCCCF 34a_100015665980_100000729378 [0,1,0,0,0,0|3,0,0]=4 7008 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,1,0,0,0,0|2,0,0]=3 7009 B11R0.40 NC[C@@H](F)COCCOCCO 34a_100015665980_100000692535 [0,1,0,0,0,0|3,0,0]=4 7010 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|1,0,1]=3 7011 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|1,0,1]=3 7012 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|2,0,1]=4 7013 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|2,0,1]=4 7014 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,1,0,0,0,0|2,0,1]=4 7015 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,1,0,0,0,0|2,0,1]=4 7016 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,1,0,0,0,0|2,0,1]=4 7017 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,1,0,0,0,0|2,0,1]=4 7018 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,1,0,0,0,0|2,0,1]=4 7019 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,1,0,0,0,0|2,0,0]=3 7020 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,1,0,0,0,0|2,0,0]=3 7021 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,1,0,0,0,0|2,0,0]=3 7022 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,1,0,0,0,0|2,0,0]=3 7023 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,1,0,0,0,0|2,0,0]=3 7024 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,1,0,0,0,0|2,0,0]=3 7025 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,1,0,0,0,0|3,0,0]=4 7026 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,1,0,0,0,0|3,0,0]=4 7027 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,1,0,0,0,0|3,0,0]=4 7028 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,1,0,0,0,0|3,0,0]=4 7029 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,1,0,0,0,0|3,0,0]=4 7030 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,1,0,0,0,0|3,0,0]=4 7031 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,1,0,0,0,0|3,0,0]=4 7032 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,1,0,0,0,0|3,0,0]=4 7033 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,1,0,0,0,0|2,0,0]=3 7034 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,1,0,0,0,0|2,0,0]=3 7035 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,1,0,0,0,0|2,0,0]=3 7036 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,0]=3 7037 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,1,0,0,0,0|2,0,0]=3 7038 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,1,0,0,0,0|2,0,0]=3 7039 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|2,0,0]=3 7040 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,1,0,0,0,0|2,0,0]=3 7041 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,0]=3 7042 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,1,0,0,0,0|2,0,0]=3 7043 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,1,0,0,0,0|2,0,0]=3 7044 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,1,0,0,0,0|2,0,0]=3 7045 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,1,0,0,0,0|2,0,0]=3 7046 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,1,0,0,0,0|2,0,0]=3 7047 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,1,0,0,0,0|2,0,0]=3 7048 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,1,0,0,0,0|2,0,0]=3 7049 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,1,0,0,0,0|2,0,0]=3 7050 B11R0.40 OCCOCCNCC(O)CO 2230a_100000211614_100011219619 [0,1,0,0,0,0|3,0,0]=4 7051 B11R0.40 OCCOCCNCC(O)CO 34a_100000211614_100011219619 [0,1,0,0,0,0|3,0,0]=4 7052 B11R0.40 OCCOCCNC[C@@H](F)CO 34a_100015665980_100000692535 [0,1,0,0,0,0|3,0,0]=4 7053 B11R0.40 OCCOCCNC[C@@H](O)CF 2230a_100000211614_100015614560 [0,1,0,0,0,0|3,0,0]=4 7054 B11R0.40 OCCOCCNC[C@@H](O)CF 34a_100000211614_100015614560 [0,1,0,0,0,0|3,0,0]=4 7055 B11R0.40 OCCOCCNC[C@@H](O)CO 2230a_100000211614_100009815848 [0,1,0,0,0,0|3,0,0]=4 7056 B11R0.40 OCCOCCNC[C@@H](O)CO 34a_100000211614_100009815848 [0,1,0,0,0,0|3,0,0]=4 7057 B11R0.40 OCCOCCNC[C@H](O)CO 2230a_100020644852_100011215305 [0,1,0,0,0,0|3,0,0]=4 7058 B11R0.40 OCCOCCOCC(Cl)CCl 34a_100000033668_100000692535 [0,1,0,0,0,0|3,0,0]=4 7059 B11R0.40 OCCOCCSCC(O)CO 62a_100011215305_100011219619 [0,1,0,0,0,0|3,0,0]=4 7060 B11R0.40 OCCOCCSCC(O)CO 62a_100011219619_100011215305 [0,1,0,0,0,0|3,0,0]=4 7061 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100011215305_100015614560 [0,1,0,0,0,0|3,0,0]=4 7062 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100015614560_100011215305 [0,1,0,0,0,0|3,0,0]=4 7063 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100009815848_100011215305 [0,1,0,0,0,0|3,0,0]=4 7064 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100011215305_100009815848 [0,1,0,0,0,0|3,0,0]=4 7065 B11R0.40 OCCSCCNCC(O)CO 2230a_100011219999_100011219619 [0,1,0,0,0,0|3,0,0]=4 7066 B11R0.40 OCCSCCNC[C@@H](O)CF 2230a_100011219999_100015614560 [0,1,0,0,0,0|3,0,0]=4 7067 B11R0.40 OCCSCCNC[C@@H](O)CO 2230a_100011219999_100009815848 [0,1,0,0,0,0|3,0,0]=4 7068 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,1,0,0,0,0|2,0,0]=3 7069 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,1,0,0,0,0|2,0,0]=3 7070 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,1,0,0,0,0|2,0,0]=3 7071 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,1,0,0,0,0|2,0,0]=3 7072 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,1,0,0,0,0|2,0,0]=3 7073 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,1,0,0,0,0|2,0,0]=3 7074 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,1,0,0,0,0|2,0,0]=3 7075 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,1,0,0,0,0|2,0,0]=3 7076 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,1,0,0,0,0|3,0,0]=4 7077 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,1,0,0,0,0|3,0,0]=4 7078 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,1,0,0,0,0|3,0,0]=4 7079 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,1,0,0,0,0|3,0,0]=4 7080 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,1,0,0,0,0|3,0,0]=4 7081 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,1,0,0,0,0|3,0,0]=4 7082 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,1,0,0,0,0|3,0,0]=4 7083 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,1,0,0,0,0|3,0,0]=4 7084 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,1,0,0,0,0|2,0,0]=3 7085 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,1,0,0,0,0|2,0,0]=3 7086 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,1,0,0,0,0|3,0,0]=4 7087 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,1,0,0,0,0|3,0,0]=4 7088 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,1,0,0,0,0|3,0,0]=4 7089 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,1,0,0,0,0|3,0,0]=4 7090 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,1,0,0,0,0|3,0,0]=4 7091 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,1,0,0,0,0|3,0,0]=4 7092 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,1,0,0,0,0|3,0,0]=4 7093 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,1,0,0,0,0|3,0,0]=4 7094 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,0,0,0,0|1,0,2]=4 7095 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,0,0,0,0|1,0,2]=4 7096 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,1,0,0,0,0|0,0,3]=4 7097 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,1,0,0,0,0|0,0,3]=4 7098 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,1,0,0,0,0|1,0,2]=4 7099 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,1,0,0,0,0|1,0,2]=4 7100 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,1,0,0,0,0|0,0,3]=4 7101 B11R0.81 C#CCCCCN(C)CCCC 2230a_100000207549_100010269958 [0,1,0,0,0,0|2,0,1]=4 7102 B11R0.81 C#CCCCCN(C)CCCC 269982a_100000207549_100010269958 [0,1,0,0,0,0|2,0,1]=4 7103 B11R0.81 C#CCCCCN(C)CCCO 2230a_100000213112_100010269958 [0,1,0,0,0,0|1,0,2]=4 7104 B11R0.81 C#CCCCCN(C)CCCO 269982a_100000213112_100010269958 [0,1,0,0,0,0|1,0,2]=4 7105 B11R0.81 C#CCCCNC(C)CCCC 2230a_100000126638_100000731252 [0,1,0,0,0,0|2,0,1]=4 7106 B11R0.81 C#CCCCNC(C)CCCC 270004a_100000718082_100000210087 [0,1,0,0,0,0|2,0,1]=4 7107 B11R0.81 C#CCCCNC(C)CCCC 34a_100000718082_200011215066 [0,1,0,0,0,0|2,0,1]=4 7108 B11R0.81 C#CCCCOC(C)CCCC 34a_100000215630_200011215066 [0,1,0,0,0,0|2,0,1]=4 7109 B11R0.81 C#CCCCOC(C)CCCC 34a_100000687866_100000695029 [0,1,0,0,0,0|2,0,1]=4 7110 B11R0.81 C#CCCCOC(C)CCCC 7a_100000215630_200011215066 [0,1,0,0,0,0|2,0,1]=4 7111 B11R0.81 C#CCCCOC(C)CCCC 7a_100000687866_100011215417 [0,1,0,0,0,0|2,0,1]=4 7112 B11R0.81 C#CCCCSC(C)CCCC 62a_100011215417_200011215066 [0,1,0,0,0,0|2,0,1]=4 7113 B11R0.81 C#CCCCSC(C)CCCC 62a_200011215066_100011215417 [0,1,0,0,0,0|2,0,1]=4 7114 B11R0.81 C#CCCN(C)CCCCCC 2230a_106256046315_100000688953 [0,1,0,0,0,0|2,0,1]=4 7115 B11R0.81 C#CCCN(C)CCCCCC 269982a_106256046315_100000730999 [0,1,0,0,0,0|2,0,1]=4 7116 B11R0.81 C#CCCN(C)CCCCCO 2230a_100000722520_100000688953 [0,1,0,0,0,0|1,0,2]=4 7117 B11R0.81 C#CCCN(C)CCCCCO 269982a_100000722520_100000730999 [0,1,0,0,0,0|1,0,2]=4 7118 B11R0.81 C#CCCNC[C@H](C)CCCO 2230a_100160569302_100000688953 [0,1,0,0,0,0|1,0,2]=4 7119 B11R0.81 C#CCCNC[C@H](C)CCCO 34a_100160569302_100000688953 [0,1,0,0,0,0|1,0,2]=4 7120 B11R0.81 C#CCCOCC(C)CCCC 34a_100011995851_100000688953 [0,1,0,0,0,0|2,0,1]=4 7121 B11R0.81 C#CCCOCC(C)CCCC 7a_100011995851_100000688953 [0,1,0,0,0,0|2,0,1]=4 7122 B11R0.81 C#CCCOC[C@@H](N)CCCC 34a_100011934283_100000688953 [0,1,0,0,0,0|2,0,1]=4 7123 B11R0.81 C#CCNC(C)CCCCCC 2230a_100000210919_100000038162 [0,1,0,0,0,0|2,0,1]=4 7124 B11R0.81 C#CCNC(C)CCCCCC 34a_100000210919_100000184674 [0,1,0,0,0,0|2,0,1]=4 7125 B11R0.81 C#CCNC(C)CCCCCC 34a_100000212058_100011215978 [0,1,0,0,0,0|2,0,1]=4 7126 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,1,0,0,0,0|2,0,1]=4 7127 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,1,0,0,0,0|2,0,1]=4 7128 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,1,0,0,0,0|2,0,1]=4 7129 B11R0.81 C#CCSC(C)CCCCCC 62a_100000038162_100011215978 [0,1,0,0,0,0|2,0,1]=4 7130 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,1,0,0,0,0|0,0,3]=4 7131 B11R0.81 C/C=C/CN(C)CCCCCO 269982a_100000722520_100102629194 [0,1,0,0,0,0|1,0,2]=4 7132 B11R0.81 C/C=C/CNC[C@H](C)CCCO 34a_100160569302_100102629194 [0,1,0,0,0,0|1,0,2]=4 7133 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,0,0,0,0|1,0,2]=4 7134 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,0,0,0,0|1,0,2]=4 7135 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,1,0,0,0,0|0,0,3]=4 7136 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,1,0,0,0,0|0,0,3]=4 7137 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,1,0,0,0,0|2,0,1]=4 7138 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [0,1,0,0,0,0|1,0,2]=4 7139 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,1,0,0,0,0|2,0,1]=4 7140 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,1,0,0,0,0|2,0,1]=4 7141 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [0,1,0,0,0,0|1,0,2]=4 7142 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [0,1,0,0,0,0|1,0,2]=4 7143 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,1,0,0,0,0|1,0,2]=4 7144 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,1,0,0,0,0|1,0,2]=4 7145 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,1,0,0,0,0|0,0,3]=4 7146 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [0,1,0,0,0,0|2,0,1]=4 7147 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [0,1,0,0,0,0|2,0,1]=4 7148 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [0,1,0,0,0,0|2,0,1]=4 7149 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [0,1,0,0,0,0|2,0,1]=4 7150 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [0,1,0,0,0,0|1,0,2]=4 7151 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [0,1,0,0,0,0|1,0,2]=4 7152 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [0,1,0,0,0,0|1,0,2]=4 7153 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [0,1,0,0,0,0|1,0,2]=4 7154 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [0,1,0,0,0,0|2,0,1]=4 7155 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [0,1,0,0,0,0|2,0,1]=4 7156 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [0,1,0,0,0,0|2,0,1]=4 7157 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [0,1,0,0,0,0|2,0,1]=4 7158 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [0,1,0,0,0,0|2,0,1]=4 7159 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [0,1,0,0,0,0|2,0,1]=4 7160 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [0,1,0,0,0,0|2,0,1]=4 7161 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [0,1,0,0,0,0|2,0,1]=4 7162 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [0,1,0,0,0,0|2,0,1]=4 7163 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [0,1,0,0,0,0|2,0,1]=4 7164 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,1,0,0,0,0|2,0,1]=4 7165 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,1,0,0,0,0|2,0,1]=4 7166 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,1,0,0,0,0|2,0,1]=4 7167 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,1,0,0,0,0|2,0,1]=4 7168 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [0,1,0,0,0,0|1,0,2]=4 7169 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [0,1,0,0,0,0|1,0,2]=4 7170 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [0,1,0,0,0,0|1,0,2]=4 7171 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [0,1,0,0,0,0|1,0,2]=4 7172 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [0,1,0,0,0,0|1,0,2]=4 7173 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [0,1,0,0,0,0|1,0,2]=4 7174 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [0,1,0,0,0,0|2,0,1]=4 7175 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [0,1,0,0,0,0|2,0,1]=4 7176 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [0,1,0,0,0,0|2,0,1]=4 7177 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,1,0,0,0,0|2,0,1]=4 7178 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,1,0,0,0,0|2,0,1]=4 7179 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,1,0,0,0,0|2,0,1]=4 7180 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,1,0,0,0,0|2,0,1]=4 7181 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,1,0,0,0,0|2,0,1]=4 7182 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,1,0,0,0,0|2,0,1]=4 7183 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,1,0,0,0,0|2,0,1]=4 7184 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,1,0,0,0,0|2,0,1]=4 7185 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,1,0,0,0,0|2,0,1]=4 7186 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,1,0,0,0,0|0,0,3]=4 7187 B11R0.81 CC#CCN(C)CCCCCO 2230a_100000722520_100000748600 [0,1,0,0,0,0|1,0,2]=4 7188 B11R0.81 CC#CCNC[C@H](C)CCCO 2230a_100160569302_100000748600 [0,1,0,0,0,0|1,0,2]=4 7189 B11R0.81 CC#CCNC[C@H](C)CCCO 34a_100160569302_100000748600 [0,1,0,0,0,0|1,0,2]=4 7190 B11R0.81 CC(CCCCl)OCCCCF 34a_200000718107_100000729493 [0,1,0,0,0,0|3,0,0]=4 7191 B11R0.81 CC(CCCCl)OCCCCF 7a_200000718107_100000729493 [0,1,0,0,0,0|3,0,0]=4 7192 B11R0.81 CC(CCCCl)OCCCCO 34a_200000718107_100011216708 [0,1,0,0,0,0|2,0,0]=3 7193 B11R0.81 CC(CCCCl)OCCCCO 7a_200000718107_100000210776 [0,1,0,0,0,0|2,0,0]=3 7194 B11R0.81 CC/C=C\CCN(C)CCCO 2230a_100000213112_100015370543 [0,1,0,0,0,0|1,0,2]=4 7195 B11R0.81 CC/C=C\CCN(C)CCCO 269982a_100000213112_100015370543 [0,1,0,0,0,0|1,0,2]=4 7196 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,1,0,0,0,0|0,0,3]=4 7197 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,1,0,0,0,0|0,0,3]=4 7198 B11R0.81 CC=CCN(C)CCCCCO 2230a_100000722520_100000070051 [0,1,0,0,0,0|1,0,2]=4 7199 B11R0.81 CC=CCNC[C@H](C)CCCO 2230a_100160569302_100000070051 [0,1,0,0,0,0|1,0,2]=4 7200 B11R0.81 CC=CCNC[C@H](C)CCCO 34a_100160569302_100000070051 [0,1,0,0,0,0|1,0,2]=4 7201 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,1,0,0,0,0|0,0,3]=4 7202 B11R0.81 CCC#CC(C)OCCCCO 34a_100000033903_100011216708 [0,1,0,0,0,0|1,0,2]=4 7203 B11R0.81 CCC#CC(C)OCCCCO 7a_100000033903_100000210776 [0,1,0,0,0,0|1,0,2]=4 7204 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,1,0,0,0,0|0,0,3]=4 7205 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,1,0,0,0,0|0,0,3]=4 7206 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,1,0,0,0,0|1,0,2]=4 7207 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,0,0,0,0|1,0,1]=3 7208 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,0,0,0,0|0,0,1]=2 7209 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,0,0,0,0|0,0,1]=2 7210 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,0,0,0,0|2,0,1]=4 7211 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,1,0,0,0,0|2,0,1]=4 7212 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,1,0,0,0,0|2,0,1]=4 7213 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,1,0,0,0,0|1,0,1]=3 7214 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,1,0,0,0,0|1,0,1]=3 7215 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,1,0,0,0,0|1,0,1]=3 7216 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,1,0,0,0,0|1,0,1]=3 7217 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,1,0,0,0,0|2,0,0]=3 7218 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,1,0,0,0,0|2,0,0]=3 7219 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,1,0,0,0,0|2,0,0]=3 7220 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,1,0,0,0,0|2,0,0]=3 7221 B11R0.81 CCCCC(C)COCCC#N 7a_100011995851_100000184422 [0,1,0,0,0,0|2,0,1]=4 7222 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [0,1,0,0,0,0|2,0,0]=3 7223 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [0,1,0,0,0,0|2,0,0]=3 7224 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,1,0,0,0,0|1,0,0]=2 7225 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,1,0,0,0,0|1,0,0]=2 7226 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,1,0,0,0,0|3,0,0]=4 7227 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,1,0,0,0,0|3,0,0]=4 7228 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [0,1,0,0,0,0|3,0,0]=4 7229 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [0,1,0,0,0,0|3,0,0]=4 7230 B11R0.81 CCCCC(C)NCC#CCO 2230a_100000126638_200000047223 [0,1,0,0,0,0|1,0,2]=4 7231 B11R0.81 CCCCC(C)NCCCC#N 2230a_100000126638_100000687738 [0,1,0,0,0,0|2,0,1]=4 7232 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,1,0,0,0,0|1,0,2]=4 7233 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [0,1,0,0,0,0|2,0,0]=3 7234 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,1,0,0,0,0|1,0,0]=2 7235 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,1,0,0,0,0|1,0,0]=2 7236 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,1,0,0,0,0|1,0,0]=2 7237 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,1,0,0,0,0|1,0,0]=2 7238 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [0,1,0,0,0,0|3,0,0]=4 7239 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [0,1,0,0,0,0|3,0,0]=4 7240 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [0,1,0,0,0,0|3,0,0]=4 7241 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [0,1,0,0,0,0|3,0,0]=4 7242 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [0,1,0,0,0,0|3,0,0]=4 7243 B11R0.81 CCCCC(C)NCCOCC 2230a_100000126638_100011215890 [0,1,0,0,0,0|3,0,0]=4 7244 B11R0.81 CCCCC(C)NCCOCC 2230a_102516460346_200011215066 [0,1,0,0,0,0|3,0,0]=4 7245 B11R0.81 CCCCC(C)NCCOCC 270004a_102516460346_100000210087 [0,1,0,0,0,0|3,0,0]=4 7246 B11R0.81 CCCCC(C)NCCOCC 34a_102516460346_200011215066 [0,1,0,0,0,0|3,0,0]=4 7247 B11R0.81 CCCCC(C)NCCSCC 2230a_100000106463_200011215066 [0,1,0,0,0,0|3,0,0]=4 7248 B11R0.81 CCCCC(C)NCCSCC 2230a_100000126638_100000757381 [0,1,0,0,0,0|3,0,0]=4 7249 B11R0.81 CCCCC(C)NCCSCC 270004a_100000106463_100000210087 [0,1,0,0,0,0|3,0,0]=4 7250 B11R0.81 CCCCC(C)OCC#CCO 34a_100000687866_200000047223 [0,1,0,0,0,0|1,0,2]=4 7251 B11R0.81 CCCCC(C)OCC#CCO 7a_100000687866_200000047223 [0,1,0,0,0,0|1,0,2]=4 7252 B11R0.81 CCCCC(C)OCCCC#N 7a_100000687866_100000687738 [0,1,0,0,0,0|2,0,1]=4 7253 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,1,0,0,0,0|1,0,2]=4 7254 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [0,1,0,0,0,0|2,0,0]=3 7255 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [0,1,0,0,0,0|2,0,0]=3 7256 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [0,1,0,0,0,0|2,0,0]=3 7257 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [0,1,0,0,0,0|2,0,0]=3 7258 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [0,1,0,0,0,0|2,0,0]=3 7259 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [0,1,0,0,0,0|2,0,0]=3 7260 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [0,1,0,0,0,0|2,0,0]=3 7261 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [0,1,0,0,0,0|2,0,0]=3 7262 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [0,1,0,0,0,0|2,0,0]=3 7263 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,1,0,0,0,0|1,0,0]=2 7264 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,1,0,0,0,0|1,0,0]=2 7265 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [0,1,0,0,0,0|3,0,0]=4 7266 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,1,0,0,0,0|3,0,0]=4 7267 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,1,0,0,0,0|3,0,0]=4 7268 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,1,0,0,0,0|3,0,0]=4 7269 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [0,1,0,0,0,0|3,0,0]=4 7270 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [0,1,0,0,0,0|3,0,0]=4 7271 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [0,1,0,0,0,0|3,0,0]=4 7272 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [0,1,0,0,0,0|3,0,0]=4 7273 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [0,1,0,0,0,0|3,0,0]=4 7274 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [0,1,0,0,0,0|3,0,0]=4 7275 B11R0.81 CCCCC(C)OCCSCC 34a_100000212035_200011215066 [0,1,0,0,0,0|3,0,0]=4 7276 B11R0.81 CCCCC(C)OCCSCC 34a_100000687866_100000757381 [0,1,0,0,0,0|3,0,0]=4 7277 B11R0.81 CCCCC(C)OCCSCC 7a_100000212035_200011215066 [0,1,0,0,0,0|3,0,0]=4 7278 B11R0.81 CCCCC(C)OCCSCC 7a_100000687866_100000757381 [0,1,0,0,0,0|3,0,0]=4 7279 B11R0.81 CCCCC(C)SCC#CCO 62a_200000047223_200011215066 [0,1,0,0,0,0|1,0,2]=4 7280 B11R0.81 CCCCC(C)SCC#CCO 62a_200011215066_200000047223 [0,1,0,0,0,0|1,0,2]=4 7281 B11R0.81 CCCCC(C)SCCCC#N 62a_100000687738_200011215066 [0,1,0,0,0,0|2,0,1]=4 7282 B11R0.81 CCCCC(C)SCCCC#N 62a_200011215066_100000687738 [0,1,0,0,0,0|2,0,1]=4 7283 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,1,0,0,0,0|1,0,2]=4 7284 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,1,0,0,0,0|1,0,2]=4 7285 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [0,1,0,0,0,0|2,0,0]=3 7286 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [0,1,0,0,0,0|2,0,0]=3 7287 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,1,0,0,0,0|1,0,0]=2 7288 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,1,0,0,0,0|1,0,0]=2 7289 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [0,1,0,0,0,0|3,0,0]=4 7290 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [0,1,0,0,0,0|3,0,0]=4 7291 B11R0.81 CCCCC(C)SCCOCC 62a_100000210147_200011215066 [0,1,0,0,0,0|3,0,0]=4 7292 B11R0.81 CCCCC(C)SCCOCC 62a_200011215066_100011215890 [0,1,0,0,0,0|3,0,0]=4 7293 B11R0.81 CCCCC(C)SCCSCC 62a_100000757381_200011215066 [0,1,0,0,0,0|3,0,0]=4 7294 B11R0.81 CCCCC(C)SCCSCC 62a_200011215066_100000757381 [0,1,0,0,0,0|3,0,0]=4 7295 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,1,0,0,0,0|0,0,3]=4 7296 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,1,0,0,0,0|0,0,3]=4 7297 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,0,0,0,0|1,0,2]=4 7298 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,0,0,0,0|1,0,2]=4 7299 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,0,0,0,0|1,0,1]=3 7300 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,0,0,0,0|1,0,1]=3 7301 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,0,0,0,0|1,0,1]=3 7302 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|0,0,1]=2 7303 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,0,0,0,0|2,0,1]=4 7304 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,0,0,0,0|2,0,1]=4 7305 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,0,0,0,0|2,0,1]=4 7306 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,0,0,0,0|2,0,1]=4 7307 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,1,0,0,0,0|2,0,1]=4 7308 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,1,0,0,0,0|2,0,1]=4 7309 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,1,0,0,0,0|2,0,1]=4 7310 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,1,0,0,0,0|2,0,1]=4 7311 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,1,0,0,0,0|2,0,1]=4 7312 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,1,0,0,0,0|2,0,1]=4 7313 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 7314 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 7315 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 7316 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 7317 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,0,0,0,0|1,0,1]=3 7318 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,0,0,0,0|1,0,1]=3 7319 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,1,0,0,0,0|2,0,0]=3 7320 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,1,0,0,0,0|2,0,0]=3 7321 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,1,0,0,0,0|2,0,0]=3 7322 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,1,0,0,0,0|2,0,0]=3 7323 B11R0.81 CCCCCCC(C)NCC#N 2230a_100000210919_100011215382 [0,1,0,0,0,0|2,0,1]=4 7324 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,1,0,0,0,0|1,0,2]=4 7325 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,1,0,0,0,0|1,0,2]=4 7326 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,1,0,0,0,0|2,0,0]=3 7327 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,1,0,0,0,0|2,0,0]=3 7328 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,1,0,0,0,0|2,0,0]=3 7329 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,1,0,0,0,0|2,0,0]=3 7330 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,1,0,0,0,0|2,0,0]=3 7331 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,1,0,0,0,0|2,0,0]=3 7332 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,1,0,0,0,0|1,0,0]=2 7333 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,1,0,0,0,0|1,0,0]=2 7334 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,1,0,0,0,0|1,0,0]=2 7335 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,1,0,0,0,0|1,0,0]=2 7336 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,1,0,0,0,0|1,0,0]=2 7337 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,1,0,0,0,0|3,0,0]=4 7338 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,1,0,0,0,0|3,0,0]=4 7339 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,1,0,0,0,0|3,0,0]=4 7340 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,1,0,0,0,0|2,0,1]=4 7341 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,1,0,0,0,0|1,0,2]=4 7342 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,1,0,0,0,0|1,0,2]=4 7343 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,1,0,0,0,0|2,0,0]=3 7344 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,1,0,0,0,0|2,0,0]=3 7345 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,1,0,0,0,0|2,0,0]=3 7346 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,1,0,0,0,0|2,0,0]=3 7347 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,1,0,0,0,0|2,0,0]=3 7348 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,1,0,0,0,0|2,0,0]=3 7349 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,1,0,0,0,0|2,0,0]=3 7350 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,1,0,0,0,0|1,0,0]=2 7351 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,1,0,0,0,0|1,0,0]=2 7352 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,1,0,0,0,0|3,0,0]=4 7353 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215382_100011215978 [0,1,0,0,0,0|2,0,1]=4 7354 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215978_100011215382 [0,1,0,0,0,0|2,0,1]=4 7355 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,1,0,0,0,0|1,0,2]=4 7356 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,1,0,0,0,0|1,0,2]=4 7357 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,1,0,0,0,0|2,0,0]=3 7358 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,1,0,0,0,0|2,0,0]=3 7359 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,1,0,0,0,0|2,0,0]=3 7360 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,1,0,0,0,0|2,0,0]=3 7361 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,1,0,0,0,0|1,0,0]=2 7362 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,1,0,0,0,0|1,0,0]=2 7363 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,1,0,0,0,0|3,0,0]=4 7364 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,1,0,0,0,0|3,0,0]=4 7365 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,1,0,0,0,0|3,0,0]=4 7366 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,1,0,0,0,0|3,0,0]=4 7367 B11R0.81 CCCCCCN(C)CCC#N 2230a_100000184479_100000210314 [0,1,0,0,0,0|2,0,1]=4 7368 B11R0.81 CCCCCCN(C)CCC#N 2230a_106256046315_100011215226 [0,1,0,0,0,0|2,0,1]=4 7369 B11R0.81 CCCCCCN(C)CCC#N 2230a_200000177771_200000210301 [0,1,0,0,0,0|2,0,1]=4 7370 B11R0.81 CCCCCCN(C)CCC#N 269982a_106256046315_100011215226 [0,1,0,0,0,0|2,0,1]=4 7371 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,1,0,0,0,0|2,0,0]=3 7372 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,1,0,0,0,0|2,0,0]=3 7373 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,1,0,0,0,0|2,0,0]=3 7374 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,1,0,0,0,0|2,0,0]=3 7375 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,1,0,0,0,0|2,0,0]=3 7376 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,1,0,0,0,0|2,0,0]=3 7377 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,1,0,0,0,0|2,0,0]=3 7378 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,1,0,0,0,0|2,0,0]=3 7379 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,1,0,0,0,0|1,0,0]=2 7380 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,1,0,0,0,0|1,0,0]=2 7381 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,1,0,0,0,0|1,0,0]=2 7382 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,1,0,0,0,0|1,0,0]=2 7383 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,1,0,0,0,0|3,0,0]=4 7384 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,1,0,0,0,0|3,0,0]=4 7385 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,1,0,0,0,0|3,0,0]=4 7386 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,1,0,0,0,0|3,0,0]=4 7387 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,1,0,0,0,0|3,0,0]=4 7388 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,1,0,0,0,0|3,0,0]=4 7389 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,1,0,0,0,0|3,0,0]=4 7390 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,1,0,0,0,0|3,0,0]=4 7391 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,1,0,0,0,0|3,0,0]=4 7392 B11R0.81 CCCCCCN([13CH3])CCC#N 2230a_200000177771_200025704644 [0,1,0,0,0,0|2,0,1]=4 7393 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,1,0,0,0,0|2,0,0]=3 7394 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,1,0,0,0,0|2,0,0]=3 7395 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,1,0,0,0,0|2,0,1]=4 7396 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,1,0,0,0,0|2,0,1]=4 7397 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,1,0,0,0,0|2,0,1]=4 7398 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,1,0,0,0,0|2,0,1]=4 7399 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 7400 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 7401 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,0,0,0,0|2,0,1]=4 7402 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 7403 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,1,0,0,0,0|2,0,0]=3 7404 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,1,0,0,0,0|2,0,0]=3 7405 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,1,0,0,0,0|2,0,0]=3 7406 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,1,0,0,0,0|3,0,0]=4 7407 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [0,1,0,0,0,0|3,0,0]=4 7408 B11R0.81 CCCCCNC(C)CSCC 270004a_100000209983_200011216171 [0,1,0,0,0,0|3,0,0]=4 7409 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,1,0,0,0,0|2,0,0]=3 7410 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,1,0,0,0,0|2,0,0]=3 7411 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,1,0,0,0,0|2,0,0]=3 7412 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,1,0,0,0,0|2,0,0]=3 7413 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,1,0,0,0,0|2,0,0]=3 7414 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,1,0,0,0,0|2,0,0]=3 7415 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,1,0,0,0,0|3,0,0]=4 7416 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,1,0,0,0,0|3,0,0]=4 7417 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,1,0,0,0,0|2,0,0]=3 7418 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,1,0,0,0,0|2,0,0]=3 7419 B11R0.81 CCCCN(C)CCCCC#N 2230a_100000207549_100000211819 [0,1,0,0,0,0|2,0,1]=4 7420 B11R0.81 CCCCN(C)CCCCC#N 269982a_100000207549_100011219923 [0,1,0,0,0,0|2,0,1]=4 7421 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,1,0,0,0,0|1,0,2]=4 7422 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,1,0,0,0,0|1,0,2]=4 7423 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [0,1,0,0,0,0|2,0,0]=3 7424 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [0,1,0,0,0,0|2,0,0]=3 7425 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,1,0,0,0,0|1,0,0]=2 7426 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,1,0,0,0,0|1,0,0]=2 7427 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,1,0,0,0,0|1,0,0]=2 7428 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,1,0,0,0,0|1,0,0]=2 7429 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [0,1,0,0,0,0|3,0,0]=4 7430 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [0,1,0,0,0,0|3,0,0]=4 7431 B11R0.81 CCCCN(C)CCCOCC 2230a_100000207549_100012232248 [0,1,0,0,0,0|3,0,0]=4 7432 B11R0.81 CCCCN(C)CCCOCC 269982a_100000207549_100012232248 [0,1,0,0,0,0|3,0,0]=4 7433 B11R0.81 CCCCN(C)CCOCCC 2230a_100000207549_100011215938 [0,1,0,0,0,0|3,0,0]=4 7434 B11R0.81 CCCCN(C)CCOCCC 269982a_100000207549_100011215938 [0,1,0,0,0,0|3,0,0]=4 7435 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [0,1,0,0,0,0|2,0,0]=3 7436 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [0,1,0,0,0,0|2,0,0]=3 7437 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [0,1,0,0,0,0|2,0,0]=3 7438 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [0,1,0,0,0,0|2,0,0]=3 7439 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [0,1,0,0,0,0|3,0,0]=4 7440 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [0,1,0,0,0,0|3,0,0]=4 7441 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [0,1,0,0,0,0|3,0,0]=4 7442 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [0,1,0,0,0,0|3,0,0]=4 7443 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,1,0,0,0,0|1,0,0]=2 7444 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,1,0,0,0,0|1,0,0]=2 7445 B11R0.81 CCCCNN=C(C)CCCO 4a_100025702795_100000759063 [0,1,0,0,0,0|2,0,1]=4 7446 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,1,0,0,0,0|2,0,1]=4 7447 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,1,0,0,0,0|2,0,1]=4 7448 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,1,0,0,0,0|2,0,1]=4 7449 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,1,0,0,0,0|1,0,1]=3 7450 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,1,0,0,0,0|2,0,1]=4 7451 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,1,0,0,0,0|2,0,1]=4 7452 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [0,1,0,0,0,0|2,0,0]=3 7453 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [0,1,0,0,0,0|2,0,0]=3 7454 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,1,0,0,0,0|3,0,0]=4 7455 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,1,0,0,0,0|3,0,0]=4 7456 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,1,0,0,0,0|3,0,0]=4 7457 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,1,0,0,0,0|3,0,0]=4 7458 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,1,0,0,0,0|2,0,0]=3 7459 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,1,0,0,0,0|2,0,0]=3 7460 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [0,1,0,0,0,0|3,0,0]=4 7461 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [0,1,0,0,0,0|3,0,0]=4 7462 B11R0.81 CCCCOCN(C)CCCO 2230a_100000213112_100011995733 [0,1,0,0,0,0|2,0,0]=3 7463 B11R0.81 CCCCOCN(C)CCCO 269982a_100000213112_100011995733 [0,1,0,0,0,0|2,0,0]=3 7464 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [0,1,0,0,0,0|2,0,0]=3 7465 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [0,1,0,0,0,0|3,0,0]=4 7466 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,1,0,0,0,0|2,0,1]=4 7467 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,1,0,0,0,0|2,0,1]=4 7468 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,1,0,0,0,0|1,0,1]=3 7469 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,1,0,0,0,0|2,0,1]=4 7470 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,1,0,0,0,0|2,0,1]=4 7471 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [0,1,0,0,0,0|2,0,0]=3 7472 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,1,0,0,0,0|1,0,0]=2 7473 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,1,0,0,0,0|3,0,0]=4 7474 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [0,1,0,0,0,0|3,0,0]=4 7475 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,1,0,0,0,0|1,0,1]=3 7476 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,1,0,0,0,0|2,0,1]=4 7477 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,1,0,0,0,0|2,0,1]=4 7478 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,1,0,0,0,0|2,0,1]=4 7479 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,1,0,0,0,0|2,0,1]=4 7480 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,1,0,0,0,0|2,0,1]=4 7481 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,1,0,0,0,0|2,0,1]=4 7482 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,1,0,0,0,0|2,0,1]=4 7483 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,1,0,0,0,0|2,0,1]=4 7484 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,1,0,0,0,0|2,0,1]=4 7485 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,1,0,0,0,0|2,0,1]=4 7486 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,1,0,0,0,0|2,0,1]=4 7487 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,1,0,0,0,0|2,0,1]=4 7488 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,1,0,0,0,0|2,0,1]=4 7489 B11R0.81 CCCOC(C)CNCCCF 2230a_100015185124_100011934791 [0,1,0,0,0,0|3,0,0]=4 7490 B11R0.81 CCCOC(C)CNCCCF 34a_100015185124_100011934791 [0,1,0,0,0,0|3,0,0]=4 7491 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,1,0,0,0,0|2,0,0]=3 7492 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,1,0,0,0,0|2,0,0]=3 7493 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [0,1,0,0,0,0|2,0,0]=3 7494 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [0,1,0,0,0,0|2,0,0]=3 7495 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,1,0,0,0,0|2,0,1]=4 7496 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,1,0,0,0,0|2,0,1]=4 7497 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,1,0,0,0,0|1,0,1]=3 7498 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,1,0,0,0,0|2,0,1]=4 7499 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,1,0,0,0,0|2,0,1]=4 7500 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,1,0,0,0,0|2,0,1]=4 7501 B11R0.81 CCOCC(C)OCCCCF 34a_100000718985_100000729493 [0,1,0,0,0,0|3,0,0]=4 7502 B11R0.81 CCOCC(C)OCCCCF 7a_100000718985_100000729493 [0,1,0,0,0,0|3,0,0]=4 7503 B11R0.81 CCOCC(C)OCCCCO 34a_100000718985_100011216708 [0,1,0,0,0,0|2,0,0]=3 7504 B11R0.81 CCOCC(C)OCCCCO 7a_100000718985_100000210776 [0,1,0,0,0,0|2,0,0]=3 7505 B11R0.81 CCOCC(O)CNCCCF 2230a_102515437182_100011934791 [0,1,0,0,0,0|3,0,0]=4 7506 B11R0.81 CCOCC(O)CNCCCF 34a_102515437182_100011934791 [0,1,0,0,0,0|3,0,0]=4 7507 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [0,1,0,0,0,0|2,0,0]=3 7508 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [0,1,0,0,0,0|2,0,0]=3 7509 B11R0.81 CCOCCCN(C)CCCO 2230a_100000213112_100012232248 [0,1,0,0,0,0|2,0,0]=3 7510 B11R0.81 CCOCCCN(C)CCCO 269982a_100000213112_100012232248 [0,1,0,0,0,0|2,0,0]=3 7511 B11R0.81 CCOCCOC(C)CCCCl 34a_200000718107_100000210147 [0,1,0,0,0,0|3,0,0]=4 7512 B11R0.81 CCOCCOC(C)CCCCl 7a_200000718107_100011215890 [0,1,0,0,0,0|3,0,0]=4 7513 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [0,1,0,0,0,0|2,0,0]=3 7514 B11R0.81 CCOCN(C)CCOCCO 269982a_100000228057_100000739092 [0,1,0,0,0,0|3,0,0]=4 7515 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,1,0,0,0,0|2,0,1]=4 7516 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,1,0,0,0,0|1,0,1]=3 7517 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,1,0,0,0,0|2,0,1]=4 7518 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,1,0,0,0,0|2,0,1]=4 7519 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,1,0,0,0,0|2,0,1]=4 7520 B11R0.81 CCSCC(C)NCCCCO 270004a_100000750430_200011216171 [0,1,0,0,0,0|2,0,0]=3 7521 B11R0.81 CCSCCOC(C)CCCCl 34a_200000718107_100000757381 [0,1,0,0,0,0|3,0,0]=4 7522 B11R0.81 CCSCCOC(C)CCCCl 7a_200000718107_100000757381 [0,1,0,0,0,0|3,0,0]=4 7523 B11R0.81 CN(CCC#N)CCCCCO 2230a_100000184479_100000746330 [0,1,0,0,0,0|2,0,1]=4 7524 B11R0.81 CN(CCC#N)CCCCCO 2230a_100000722520_100011215226 [0,1,0,0,0,0|2,0,1]=4 7525 B11R0.81 CN(CCC#N)CCCCCO 269982a_100000722520_100011215226 [0,1,0,0,0,0|2,0,1]=4 7526 B11R0.81 CN(CCCF)CCCCCO 2230a_100000722520_100011934791 [0,1,0,0,0,0|2,0,0]=3 7527 B11R0.81 CN(CCCF)CCCCCO 269982a_100000722520_100011934791 [0,1,0,0,0,0|2,0,0]=3 7528 B11R0.81 CN(CCCF)CCOCCO 2230a_100000228057_100011934791 [0,1,0,0,0,0|3,0,0]=4 7529 B11R0.81 CN(CCCF)CCOCCO 269982a_100000228057_100011934791 [0,1,0,0,0,0|3,0,0]=4 7530 B11R0.81 CN(CCCO)CCCCC#N 2230a_100000213112_100000211819 [0,1,0,0,0,0|2,0,1]=4 7531 B11R0.81 CN(CCCO)CCCCC#N 269982a_100000213112_100011219923 [0,1,0,0,0,0|2,0,1]=4 7532 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [0,1,0,0,0,0|2,0,1]=4 7533 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [0,1,0,0,0,0|2,0,1]=4 7534 B11R0.81 CN(CCCO)CCCCCF 2230a_100000213112_100000729378 [0,1,0,0,0,0|2,0,0]=3 7535 B11R0.81 CN(CCCO)CCCCCF 269982a_100000213112_100000729378 [0,1,0,0,0,0|2,0,0]=3 7536 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [0,1,0,0,0,0|2,0,0]=3 7537 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [0,1,0,0,0,0|2,0,0]=3 7538 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [0,1,0,0,0,0|2,0,0]=3 7539 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [0,1,0,0,0,0|2,0,0]=3 7540 B11R0.81 CN(CCCO)CCOCCO 2230a_100000213112_100011215305 [0,1,0,0,0,0|3,0,0]=4 7541 B11R0.81 CN(CCCO)CCOCCO 2230a_100000228057_100000230001 [0,1,0,0,0,0|3,0,0]=4 7542 B11R0.81 CN(CCCO)CCOCCO 269982a_100000213112_100011215305 [0,1,0,0,0,0|3,0,0]=4 7543 B11R0.81 CN(CCCO)CCOCCO 269982a_100000228057_100011215043 [0,1,0,0,0,0|3,0,0]=4 7544 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,1,0,0,0,0|2,0,1]=4 7545 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,1,0,0,0,0|1,0,1]=3 7546 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,1,0,0,0,0|1,0,1]=3 7547 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,1,0,0,0,0|2,0,1]=4 7548 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,1,0,0,0,0|2,0,1]=4 7549 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,1,0,0,0,0|2,0,1]=4 7550 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,1,0,0,0,0|2,0,1]=4 7551 B11R0.81 COCCC(C)NCCCCO 270004a_100000750430_100000742357 [0,1,0,0,0,0|2,0,0]=3 7552 B11R0.81 COCCCCN(C)CCCO 2230a_100000213112_100000730899 [0,1,0,0,0,0|2,0,0]=3 7553 B11R0.81 COCCCCN(C)CCCO 269982a_100000213112_100000730899 [0,1,0,0,0,0|2,0,0]=3 7554 B11R0.81 COCCCOC(C)CCCCl 34a_200000718107_100000740836 [0,1,0,0,0,0|3,0,0]=4 7555 B11R0.81 COCCCOC(C)CCCCl 7a_200000718107_100000740836 [0,1,0,0,0,0|3,0,0]=4 7556 B11R0.81 COCCN(C)CCCCCF 2230a_100000743101_100000729378 [0,1,0,0,0,0|3,0,0]=4 7557 B11R0.81 COCCN(C)CCCCCF 269982a_100000743101_100000729378 [0,1,0,0,0,0|3,0,0]=4 7558 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [0,1,0,0,0,0|2,0,0]=3 7559 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [0,1,0,0,0,0|2,0,0]=3 7560 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [0,1,0,0,0,0|2,0,0]=3 7561 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [0,1,0,0,0,0|2,0,0]=3 7562 B11R0.81 COCCN(C)CCOCCO 2230a_100000228057_100011201679 [0,1,0,0,0,0|3,0,0]=4 7563 B11R0.81 COCCN(C)CCOCCO 2230a_100000743101_100011215305 [0,1,0,0,0,0|3,0,0]=4 7564 B11R0.81 COCCN(C)CCOCCO 269982a_100000228057_100000233755 [0,1,0,0,0,0|3,0,0]=4 7565 B11R0.81 COCCN(C)CCOCCO 269982a_100000743101_100011215305 [0,1,0,0,0,0|3,0,0]=4 7566 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [0,1,0,0,0,0|2,0,0]=3 7567 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [0,1,0,0,0,0|2,0,0]=3 7568 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,1,0,0,0,0|2,0,1]=4 7569 B11R0.81 COCCOCN(C)CCCO 2230a_100000213112_100000231047 [0,1,0,0,0,0|3,0,0]=4 7570 B11R0.81 COCCOCN(C)CCCO 269982a_100000213112_100000231047 [0,1,0,0,0,0|3,0,0]=4 7571 B11R0.81 COCO[C@H](C)COCCCO 34a_100016172286_100000230001 [0,1,0,0,0,0|3,0,0]=4 7572 B11R0.81 COCO[C@H](C)COCCCO 7a_100016172286_100011215043 [0,1,0,0,0,0|3,0,0]=4 7573 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,1,0,0,0,0|2,0,1]=4 7574 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,1,0,0,0,0|1,0,1]=3 7575 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,1,0,0,0,0|1,0,1]=3 7576 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,1,0,0,0,0|2,0,1]=4 7577 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,1,0,0,0,0|2,0,1]=4 7578 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,1,0,0,0,0|2,0,1]=4 7579 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,1,0,0,0,0|2,0,1]=4 7580 B11R0.81 CSCCC(C)NCCCCO 270004a_100000750430_100011217047 [0,1,0,0,0,0|2,0,0]=3 7581 B11R0.81 CSCCN(C)CCCCCF 2230a_100000686725_100000729378 [0,1,0,0,0,0|3,0,0]=4 7582 B11R0.81 CSCCN(C)CCCCCF 269982a_100000686725_100000729378 [0,1,0,0,0,0|3,0,0]=4 7583 B11R0.81 CSCCN(C)CCCCCO 2230a_100000686725_100000746330 [0,1,0,0,0,0|2,0,0]=3 7584 B11R0.81 CSCCN(C)CCCCCO 2230a_100000722520_100000751147 [0,1,0,0,0,0|2,0,0]=3 7585 B11R0.81 CSCCN(C)CCCCCO 269982a_100000686725_100000746330 [0,1,0,0,0,0|2,0,0]=3 7586 B11R0.81 CSCCN(C)CCCCCO 269982a_100000722520_100000212216 [0,1,0,0,0,0|2,0,0]=3 7587 B11R0.81 CSCCN(C)CCOCCO 2230a_100000228057_100000751147 [0,1,0,0,0,0|3,0,0]=4 7588 B11R0.81 CSCCN(C)CCOCCO 2230a_100000686725_100011215305 [0,1,0,0,0,0|3,0,0]=4 7589 B11R0.81 CSCCN(C)CCOCCO 269982a_100000228057_100000212216 [0,1,0,0,0,0|3,0,0]=4 7590 B11R0.81 CSCCN(C)CCOCCO 269982a_100000686725_100011215305 [0,1,0,0,0,0|3,0,0]=4 7591 B11R0.81 CSCCNC[C@H](C)CCCO 2230a_100160569302_100000751147 [0,1,0,0,0,0|2,0,0]=3 7592 B11R0.81 CSCCNC[C@H](C)CCCO 34a_100160569302_100000212216 [0,1,0,0,0,0|2,0,0]=3 7593 B11R0.81 CSCC[C@H](N)COCCCF 34a_100011827619_100011934791 [0,1,0,0,0,0|3,0,0]=4 7594 B11R0.81 CSCC[C@H](N)COCCCO 34a_100011827619_100000230001 [0,1,0,0,0,0|2,0,0]=3 7595 B11R0.81 C[C@H](CCCO)CNCCC#N 2230a_100160569302_100011215226 [0,1,0,0,0,0|2,0,1]=4 7596 B11R0.81 C[C@H](CCCO)CNCCCF 2230a_100160569302_100011934791 [0,1,0,0,0,0|2,0,0]=3 7597 B11R0.81 C[C@H](CCCO)CNCCCF 34a_100160569302_100011934791 [0,1,0,0,0,0|2,0,0]=3 7598 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [0,1,0,0,0,0|2,0,0]=3 7599 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [0,1,0,0,0,0|2,0,0]=3 7600 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,1,0,0,0,0|1,0,2]=4 7601 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,1,0,0,0,0|1,0,2]=4 7602 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,1,0,0,0,0|2,0,1]=4 7603 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,1,0,0,0,0|2,0,1]=4 7604 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,1,0,0,0,0|1,0,1]=3 7605 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,1,0,0,0,0|2,0,1]=4 7606 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,1,0,0,0,0|1,0,1]=3 7607 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,1,0,0,0,0|2,0,1]=4 7608 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,1,0,0,0,0|1,0,2]=4 7609 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,1,0,0,0,0|1,0,2]=4 7610 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [0,1,0,0,0,0|0,0,3]=4 7611 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [0,1,0,0,0,0|0,0,3]=4 7612 B11R0.140 C#CCCCN(C)CCCCC 2230a_100000223495_100000731252 [0,1,0,0,0,0|2,0,1]=4 7613 B11R0.140 C#CCCCN(C)CCCCC 269982a_100000223495_100011215417 [0,1,0,0,0,0|2,0,1]=4 7614 B11R0.140 C#CCCCN(C)CCCCO 2230a_100000717598_100000731252 [0,1,0,0,0,0|1,0,2]=4 7615 B11R0.140 C#CCCCN(C)CCCCO 269982a_100000717598_100011215417 [0,1,0,0,0,0|1,0,2]=4 7616 B11R0.140 C#CCCNC(C)CCCCC 2230a_100000211957_100000688953 [0,1,0,0,0,0|2,0,1]=4 7617 B11R0.140 C#CCCNC(C)CCCCC 34a_100000755551_200011218191 [0,1,0,0,0,0|2,0,1]=4 7618 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,1,0,0,0,0|2,0,1]=4 7619 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,1,0,0,0,0|2,0,1]=4 7620 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,1,0,0,0,0|2,0,1]=4 7621 B11R0.140 C#CCCSC(C)CCCCC 62a_100000688953_200011218191 [0,1,0,0,0,0|2,0,1]=4 7622 B11R0.140 C#CCCSC(C)CCCCC 62a_200011218191_100000688953 [0,1,0,0,0,0|2,0,1]=4 7623 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,1,0,0,0,0|1,0,2]=4 7624 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,1,0,0,0,0|1,0,2]=4 7625 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,1,0,0,0,0|0,0,3]=4 7626 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,1,0,0,0,0|0,0,3]=4 7627 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,1,0,0,0,0|2,0,1]=4 7628 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,1,0,0,0,0|2,0,1]=4 7629 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [0,1,0,0,0,0|1,0,2]=4 7630 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [0,1,0,0,0,0|1,0,2]=4 7631 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,1,0,0,0,0|2,0,1]=4 7632 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,1,0,0,0,0|2,0,1]=4 7633 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,1,0,0,0,0|2,0,1]=4 7634 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,1,0,0,0,0|2,0,1]=4 7635 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,1,0,0,0,0|2,0,1]=4 7636 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,1,0,0,0,0|2,0,1]=4 7637 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,1,0,0,0,0|2,0,1]=4 7638 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,1,0,0,0,0|2,0,1]=4 7639 B11R0.140 CC(CCCC#N)NCCCO 270004a_100000182051_200000032708 [0,1,0,0,0,0|2,0,1]=4 7640 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,1,0,0,0,0|0,0,3]=4 7641 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,1,0,0,0,0|0,0,3]=4 7642 B11R0.140 CC/C=C\CN(C)CCCCO 2230a_100000717598_100103147603 [0,1,0,0,0,0|1,0,2]=4 7643 B11R0.140 CC/C=C\CN(C)CCCCO 269982a_100000717598_100103147603 [0,1,0,0,0,0|1,0,2]=4 7644 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [0,1,0,0,0,0|0,0,3]=4 7645 B11R0.140 CCC#CCC(C)OCCCO 34a_200000035118_100000230001 [0,1,0,0,0,0|1,0,2]=4 7646 B11R0.140 CCC#CCC(C)OCCCO 7a_200000035118_100011215043 [0,1,0,0,0,0|1,0,2]=4 7647 B11R0.140 CCC#CCN(C)CCCCO 2230a_100000717598_100009813939 [0,1,0,0,0,0|1,0,2]=4 7648 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [0,1,0,0,0,0|0,0,3]=4 7649 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,1,0,0,0,0|0,0,3]=4 7650 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,1,0,0,0,0|2,0,1]=4 7651 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,1,0,0,0,0|0,0,3]=4 7652 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,1,0,0,0,0|1,0,2]=4 7653 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,1,0,0,0,0|1,0,2]=4 7654 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,1,0,0,0,0|1,0,1]=3 7655 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,1,0,0,0,0|1,0,1]=3 7656 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,1,0,0,0,0|0,0,1]=2 7657 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,1,0,0,0,0|0,0,1]=2 7658 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,1,0,0,0,0|2,0,1]=4 7659 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,1,0,0,0,0|2,0,1]=4 7660 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,1,0,0,0,0|2,0,1]=4 7661 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,1,0,0,0,0|2,0,1]=4 7662 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,1,0,0,0,0|2,0,1]=4 7663 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,1,0,0,0,0|2,0,1]=4 7664 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,1,0,0,0,0|2,0,1]=4 7665 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,1,0,0,0,0|2,0,1]=4 7666 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,1,0,0,0,0|1,0,1]=3 7667 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,1,0,0,0,0|1,0,1]=3 7668 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,1,0,0,0,0|2,0,1]=4 7669 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,1,0,0,0,0|2,0,1]=4 7670 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,1,0,0,0,0|2,0,1]=4 7671 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,1,0,0,0,0|2,0,1]=4 7672 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,1,0,0,0,0|1,0,1]=3 7673 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,1,0,0,0,0|2,0,1]=4 7674 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,1,0,0,0,0|2,0,1]=4 7675 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,1,0,0,0,0|2,0,1]=4 7676 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,1,0,0,0,0|2,0,1]=4 7677 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,1,0,0,0,0|2,0,1]=4 7678 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,1,0,0,0,0|1,0,1]=3 7679 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,1,0,0,0,0|1,0,1]=3 7680 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,1,0,0,0,0|2,0,1]=4 7681 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,1,0,0,0,0|2,0,1]=4 7682 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,1,0,0,0,0|2,0,1]=4 7683 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,1,0,0,0,0|2,0,1]=4 7684 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,1,0,0,0,0|2,0,1]=4 7685 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,1,0,0,0,0|2,0,1]=4 7686 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,1,0,0,0,0|2,0,1]=4 7687 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,1,0,0,0,0|2,0,1]=4 7688 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,1,0,0,0,0|1,0,1]=3 7689 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,1,0,0,0,0|1,0,1]=3 7690 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,1,0,0,0,0|2,0,1]=4 7691 B11R0.140 CCCCCC(C)NCCC#N 2230a_100000211957_100011215226 [0,1,0,0,0,0|2,0,1]=4 7692 B11R0.140 CCCCCC(C)NCCC#N 270004a_100000720768_100000211708 [0,1,0,0,0,0|2,0,1]=4 7693 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,1,0,0,0,0|2,0,0]=3 7694 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,1,0,0,0,0|2,0,0]=3 7695 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,1,0,0,0,0|2,0,0]=3 7696 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,1,0,0,0,0|2,0,0]=3 7697 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,1,0,0,0,0|2,0,0]=3 7698 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,1,0,0,0,0|2,0,0]=3 7699 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,1,0,0,0,0|2,0,0]=3 7700 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,1,0,0,0,0|2,0,0]=3 7701 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,1,0,0,0,0|1,0,0]=2 7702 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,1,0,0,0,0|1,0,0]=2 7703 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,1,0,0,0,0|3,0,0]=4 7704 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,1,0,0,0,0|3,0,0]=4 7705 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,1,0,0,0,0|3,0,0]=4 7706 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,1,0,0,0,0|3,0,0]=4 7707 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,1,0,0,0,0|3,0,0]=4 7708 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,1,0,0,0,0|3,0,0]=4 7709 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,1,0,0,0,0|2,0,1]=4 7710 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,1,0,0,0,0|2,0,0]=3 7711 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,1,0,0,0,0|2,0,0]=3 7712 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,1,0,0,0,0|2,0,0]=3 7713 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,1,0,0,0,0|2,0,0]=3 7714 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,1,0,0,0,0|2,0,0]=3 7715 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,1,0,0,0,0|2,0,0]=3 7716 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,1,0,0,0,0|2,0,0]=3 7717 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,1,0,0,0,0|2,0,0]=3 7718 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,1,0,0,0,0|2,0,0]=3 7719 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,1,0,0,0,0|2,0,0]=3 7720 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,1,0,0,0,0|1,0,0]=2 7721 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,1,0,0,0,0|1,0,0]=2 7722 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,1,0,0,0,0|3,0,0]=4 7723 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,1,0,0,0,0|3,0,0]=4 7724 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,1,0,0,0,0|3,0,0]=4 7725 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,1,0,0,0,0|3,0,0]=4 7726 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,1,0,0,0,0|3,0,0]=4 7727 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,1,0,0,0,0|3,0,0]=4 7728 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,1,0,0,0,0|3,0,0]=4 7729 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,1,0,0,0,0|3,0,0]=4 7730 B11R0.140 CCCCCC(C)SCCC#N 62a_100011215226_200011218191 [0,1,0,0,0,0|2,0,1]=4 7731 B11R0.140 CCCCCC(C)SCCC#N 62a_200011218191_100011215226 [0,1,0,0,0,0|2,0,1]=4 7732 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,1,0,0,0,0|2,0,0]=3 7733 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,1,0,0,0,0|2,0,0]=3 7734 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,1,0,0,0,0|2,0,0]=3 7735 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,1,0,0,0,0|2,0,0]=3 7736 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,1,0,0,0,0|1,0,0]=2 7737 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,1,0,0,0,0|1,0,0]=2 7738 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,1,0,0,0,0|3,0,0]=4 7739 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,1,0,0,0,0|3,0,0]=4 7740 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,1,0,0,0,0|3,0,0]=4 7741 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,1,0,0,0,0|3,0,0]=4 7742 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [0,1,0,0,0,0|3,0,0]=4 7743 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [0,1,0,0,0,0|3,0,0]=4 7744 B11R0.140 CCCCCN(C)CC#CCO 2230a_100000223495_200000047223 [0,1,0,0,0,0|1,0,2]=4 7745 B11R0.140 CCCCCN(C)CCCC#N 2230a_100000223495_100000687738 [0,1,0,0,0,0|2,0,1]=4 7746 B11R0.140 CCCCCN(C)CCCC#N 269982a_100000223495_100000687738 [0,1,0,0,0,0|2,0,1]=4 7747 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,1,0,0,0,0|1,0,2]=4 7748 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,1,0,0,0,0|1,0,2]=4 7749 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,1,0,0,0,0|2,0,0]=3 7750 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,1,0,0,0,0|2,0,0]=3 7751 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,1,0,0,0,0|2,0,0]=3 7752 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,1,0,0,0,0|2,0,0]=3 7753 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,1,0,0,0,0|2,0,0]=3 7754 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,1,0,0,0,0|2,0,0]=3 7755 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,1,0,0,0,0|1,0,0]=2 7756 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,1,0,0,0,0|1,0,0]=2 7757 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,1,0,0,0,0|1,0,0]=2 7758 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,1,0,0,0,0|1,0,0]=2 7759 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,1,0,0,0,0|3,0,0]=4 7760 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,1,0,0,0,0|3,0,0]=4 7761 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,1,0,0,0,0|3,0,0]=4 7762 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,1,0,0,0,0|3,0,0]=4 7763 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [0,1,0,0,0,0|3,0,0]=4 7764 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [0,1,0,0,0,0|3,0,0]=4 7765 B11R0.140 CCCCCN(C)CCSCC 2230a_100000223495_100000757381 [0,1,0,0,0,0|3,0,0]=4 7766 B11R0.140 CCCCCN(C)CCSCC 269982a_100000223495_100000757381 [0,1,0,0,0,0|3,0,0]=4 7767 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,1,0,0,0,0|2,0,0]=3 7768 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,1,0,0,0,0|2,0,0]=3 7769 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,1,0,0,0,0|1,0,1]=3 7770 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [0,1,0,0,0,0|2,0,1]=4 7771 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [0,1,0,0,0,0|2,0,1]=4 7772 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,1,0,0,0,0|2,0,1]=4 7773 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,1,0,0,0,0|2,0,1]=4 7774 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [0,1,0,0,0,0|2,0,1]=4 7775 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [0,1,0,0,0,0|2,0,1]=4 7776 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,1,0,0,0,0|2,0,1]=4 7777 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,1,0,0,0,0|2,0,1]=4 7778 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,1,0,0,0,0|2,0,1]=4 7779 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,1,0,0,0,0|2,0,1]=4 7780 B11R0.140 CCCCNC(C)CCCC#N 270004a_100000102301_200000032708 [0,1,0,0,0,0|2,0,1]=4 7781 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [0,1,0,0,0,0|3,0,0]=4 7782 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [0,1,0,0,0,0|3,0,0]=4 7783 B11R0.140 CCCCNC(C)CSCCC 270004a_100000102301_100011343953 [0,1,0,0,0,0|3,0,0]=4 7784 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,1,0,0,0,0|2,0,1]=4 7785 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,1,0,0,0,0|2,0,1]=4 7786 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,1,0,0,0,0|2,0,1]=4 7787 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,1,0,0,0,0|2,0,1]=4 7788 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,1,0,0,0,0|3,0,0]=4 7789 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,1,0,0,0,0|3,0,0]=4 7790 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,1,0,0,0,0|2,0,1]=4 7791 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,1,0,0,0,0|1,0,1]=3 7792 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [0,1,0,0,0,0|2,0,1]=4 7793 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [0,1,0,0,0,0|2,0,1]=4 7794 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [0,1,0,0,0,0|2,0,0]=3 7795 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [0,1,0,0,0,0|2,0,1]=4 7796 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,1,0,0,0,0|1,0,1]=3 7797 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [0,1,0,0,0,0|2,0,1]=4 7798 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [0,1,0,0,0,0|2,0,1]=4 7799 B11R0.140 CCCSCC(C)NCCCF 270004a_100015189416_100011343953 [0,1,0,0,0,0|3,0,0]=4 7800 B11R0.140 CCCSCC(C)NCCCO 270004a_100000182051_100011343953 [0,1,0,0,0,0|2,0,0]=3 7801 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,1,0,0,0,0|2,0,1]=4 7802 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,1,0,0,0,0|1,0,1]=3 7803 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,1,0,0,0,0|1,0,1]=3 7804 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,1,0,0,0,0|2,0,1]=4 7805 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [0,1,0,0,0,0|2,0,1]=4 7806 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [0,1,0,0,0,0|2,0,1]=4 7807 B11R0.140 CCOCCC(C)NCCCF 270004a_100015189416_200011216536 [0,1,0,0,0,0|3,0,0]=4 7808 B11R0.140 CCOCCC(C)NCCCO 270004a_100000182051_200011216536 [0,1,0,0,0,0|2,0,0]=3 7809 B11R0.140 CCOCCN(C)CCCCO 2230a_100000717598_100011215890 [0,1,0,0,0,0|2,0,0]=3 7810 B11R0.140 CCOCCN(C)CCCCO 269982a_100000717598_100011215890 [0,1,0,0,0,0|2,0,0]=3 7811 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [0,1,0,0,0,0|2,0,1]=4 7812 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,1,0,0,0,0|1,0,1]=3 7813 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,1,0,0,0,0|1,0,1]=3 7814 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,1,0,0,0,0|2,0,1]=4 7815 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [0,1,0,0,0,0|2,0,1]=4 7816 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [0,1,0,0,0,0|2,0,1]=4 7817 B11R0.140 CCSCCN(C)CCCCO 2230a_100000717598_100000757381 [0,1,0,0,0,0|2,0,0]=3 7818 B11R0.140 CCSCCN(C)CCCCO 269982a_100000717598_100000757381 [0,1,0,0,0,0|2,0,0]=3 7819 B11R0.140 CN(CCCC#N)CCCCO 2230a_100000717598_100000687738 [0,1,0,0,0,0|2,0,1]=4 7820 B11R0.140 CN(CCCC#N)CCCCO 269982a_100000717598_100000687738 [0,1,0,0,0,0|2,0,1]=4 7821 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [0,1,0,0,0,0|2,0,1]=4 7822 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [0,1,0,0,0,0|2,0,1]=4 7823 B11R0.140 CN(CCCCO)CCCCF 2230a_100000717598_100000729493 [0,1,0,0,0,0|2,0,0]=3 7824 B11R0.140 CN(CCCCO)CCCCF 269982a_100000717598_100000729493 [0,1,0,0,0,0|2,0,0]=3 7825 B11R0.140 CN(CCCCO)CCCCO 2230a_100000717598_100000210776 [0,1,0,0,0,0|2,0,0]=3 7826 B11R0.140 CN(CCCCO)CCCCO 2230a_100012279056_200000210301 [0,1,0,0,0,0|2,0,0]=3 7827 B11R0.140 CN(CCCCO)CCCCO 269982a_100000717598_100000210776 [0,1,0,0,0,0|2,0,0]=3 7828 B11R0.140 CN(CCCCO)CCCCO 34a_100012279056_200000210301 [0,1,0,0,0,0|2,0,0]=3 7829 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,1,0,0,0,0|2,0,1]=4 7830 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,1,0,0,0,0|1,0,1]=3 7831 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,1,0,0,0,0|1,0,1]=3 7832 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,1,0,0,0,0|2,0,1]=4 7833 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [0,1,0,0,0,0|2,0,1]=4 7834 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [0,1,0,0,0,0|2,0,1]=4 7835 B11R0.140 COCCCC(C)OCCCF 34a_200011539412_100011934791 [0,1,0,0,0,0|3,0,0]=4 7836 B11R0.140 COCCCC(C)OCCCF 7a_200011539412_100011934791 [0,1,0,0,0,0|3,0,0]=4 7837 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [0,1,0,0,0,0|2,0,0]=3 7838 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [0,1,0,0,0,0|2,0,0]=3 7839 B11R0.140 COCCCN(C)CCCCF 2230a_100000224831_100000729493 [0,1,0,0,0,0|3,0,0]=4 7840 B11R0.140 COCCCN(C)CCCCF 269982a_100000224831_100000729493 [0,1,0,0,0,0|3,0,0]=4 7841 B11R0.140 COCCCN(C)CCCCO 2230a_100000224831_100000210776 [0,1,0,0,0,0|2,0,0]=3 7842 B11R0.140 COCCCN(C)CCCCO 2230a_100000717598_100000740836 [0,1,0,0,0,0|2,0,0]=3 7843 B11R0.140 COCCCN(C)CCCCO 269982a_100000224831_100000210776 [0,1,0,0,0,0|2,0,0]=3 7844 B11R0.140 COCCCN(C)CCCCO 269982a_100000717598_100000740836 [0,1,0,0,0,0|2,0,0]=3 7845 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [0,1,0,0,0,0|2,0,1]=4 7846 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [0,1,0,0,0,0|2,0,1]=4 7847 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,1,0,0,0,0|1,0,1]=3 7848 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [0,1,0,0,0,0|2,0,1]=4 7849 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [0,1,0,0,0,0|2,0,1]=4 7850 B11R0.140 CSCCCC(C)NCCCF 270004a_100015189416_100011399439 [0,1,0,0,0,0|3,0,0]=4 7851 B11R0.140 CSCCCC(C)NCCCO 270004a_100000182051_100011399439 [0,1,0,0,0,0|2,0,0]=3 7852 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [0,1,0,0,0,0|2,0,1]=4 7853 B11R0.140 CSCOC[C@@H](N)CCCCN 34a_100016993712_100011218213 [0,1,0,0,0,0|3,0,0]=4 7854 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [0,1,0,0,0,0|1,0,2]=4 7855 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [0,1,0,0,0,0|1,0,2]=4 7856 B11R0.140 NCCCC[C@H](N)COCCF 34a_100016993712_100011217306 [0,1,0,0,0,0|3,0,0]=4 7857 B11R0.140 NCCCC[C@H](N)COCCO 34a_100016993712_100000211926 [0,1,0,0,0,0|2,0,0]=3 7858 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,1,0,0,0,0|2,0,1]=4 7859 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,1,0,0,0,0|1,0,1]=3 7860 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,1,0,0,0,0|1,0,1]=3 7861 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,1,0,0,0,0|2,0,1]=4 7862 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [0,1,0,0,0,0|2,0,1]=4 7863 B11R0.140 [13CH3]N(CCCCO)CCCCO 2230a_100012279056_200025704644 [0,1,0,0,0,0|2,0,0]=3 7864 B11R0.140 [13CH3]N(CCCCO)CCCCO 34a_100012279056_200025704644 [0,1,0,0,0,0|2,0,0]=3 7865 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,0,0,0,0|1,0,2]=4 7866 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,0,0,0,0|1,0,2]=4 7867 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,0,0,0,0|1,0,2]=4 7868 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,1,0,0,0,0|2,0,1]=4 7869 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,1,0,0,0,0|2,0,1]=4 7870 B11R0.148 C#CCCCCCCNC(C)C 2230a_100138425928_100012276617 [0,1,0,0,0,0|2,0,1]=4 7871 B11R0.148 C#CCCCCCCNC(C)C 34a_100138425928_100012276617 [0,1,0,0,0,0|2,0,1]=4 7872 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,1,0,0,0,0|2,0,1]=4 7873 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,1,0,0,0,0|2,0,1]=4 7874 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,1,0,0,0,0|2,0,1]=4 7875 B11R0.148 C#CCCCCCCSC(C)C 62a_100000210206_100012276617 [0,1,0,0,0,0|2,0,1]=4 7876 B11R0.148 C#CCCCCCCSC(C)C 62a_100012276617_100000210206 [0,1,0,0,0,0|2,0,1]=4 7877 B11R0.148 C#CCCCCCNCC(C)C 2230a_100000210953_100012094781 [0,1,0,0,0,0|2,0,1]=4 7878 B11R0.148 C#CCCCCCNCC(C)C 34a_100000210953_100012094781 [0,1,0,0,0,0|2,0,1]=4 7879 B11R0.148 C#CCCCCCNCC(C)O 2230a_100000210904_100012094781 [0,1,0,0,0,0|1,0,2]=4 7880 B11R0.148 C#CCCCCCNCC(C)O 34a_100000210904_100012094781 [0,1,0,0,0,0|1,0,2]=4 7881 B11R0.148 C#CCCCCCOCC(C)Br 34a_100012180447_100012094781 [0,1,0,0,0,0|2,0,1]=4 7882 B11R0.148 C#CCCCCCOCC(C)C 34a_100000210257_100012094781 [0,1,0,0,0,0|2,0,1]=4 7883 B11R0.148 C#CCCCCCOCC(C)C 34a_100000766912_100000210624 [0,1,0,0,0,0|2,0,1]=4 7884 B11R0.148 C#CCCCCCOCC(C)C 7a_100000766912_100000210760 [0,1,0,0,0,0|2,0,1]=4 7885 B11R0.148 C#CCCCCCOCC(C)F 34a_100015925927_100012094781 [0,1,0,0,0,0|2,0,1]=4 7886 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [0,1,0,0,0,0|1,0,2]=4 7887 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [0,1,0,0,0,0|1,0,2]=4 7888 B11R0.148 C#CCCCCCOC[C@@H](C)Cl 34a_100016084084_100012094781 [0,1,0,0,0,0|2,0,1]=4 7889 B11R0.148 C#CCCCCCOC[C@@H](C)N 34a_100000737577_100012094781 [0,1,0,0,0,0|2,0,1]=4 7890 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [0,1,0,0,0,0|1,0,2]=4 7891 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [0,1,0,0,0,0|1,0,2]=4 7892 B11R0.148 C#CCCCCCSCC(C)C 62a_100000210624_100012094781 [0,1,0,0,0,0|2,0,1]=4 7893 B11R0.148 C#CCCCCCSCC(C)C 62a_100012094781_100000210760 [0,1,0,0,0,0|2,0,1]=4 7894 B11R0.148 C#CCCCCCSCC(C)O 62a_100011218427_100012094781 [0,1,0,0,0,0|1,0,2]=4 7895 B11R0.148 C#CCCCCCSCC(C)O 62a_100012094781_100011218427 [0,1,0,0,0,0|1,0,2]=4 7896 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100009817552_100012094781 [0,1,0,0,0,0|1,0,2]=4 7897 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100012094781_100009817552 [0,1,0,0,0,0|1,0,2]=4 7898 B11R0.148 C#CCCCCNCCC(C)C 2230a_100000706060_100000210312 [0,1,0,0,0,0|2,0,1]=4 7899 B11R0.148 C#CCCCCNCCC(C)C 34a_100000706060_100000210312 [0,1,0,0,0,0|2,0,1]=4 7900 B11R0.148 C#CCCCCNCCC(C)O 2230a_100000706060_100012276601 [0,1,0,0,0,0|1,0,2]=4 7901 B11R0.148 C#CCCCCNCCC(C)O 2230a_200000755665_100010269958 [0,1,0,0,0,0|1,0,2]=4 7902 B11R0.148 C#CCCCCNCCC(C)O 34a_100000706060_100012276601 [0,1,0,0,0,0|1,0,2]=4 7903 B11R0.148 C#CCCCCOCCC(C)Br 34a_100009893172_100010269958 [0,1,0,0,0,0|2,0,1]=4 7904 B11R0.148 C#CCCCCOCCC(C)C 34a_100000210254_100010269958 [0,1,0,0,0,0|2,0,1]=4 7905 B11R0.148 C#CCCCCOCCC(C)C 34a_100000766709_100000210312 [0,1,0,0,0,0|2,0,1]=4 7906 B11R0.148 C#CCCCCOCCC(C)C 7a_100000210254_100010269958 [0,1,0,0,0,0|2,0,1]=4 7907 B11R0.148 C#CCCCCOCCC(C)C 7a_100000766709_100000210626 [0,1,0,0,0,0|2,0,1]=4 7908 B11R0.148 C#CCCCCOCCC(C)O 34a_100000766709_100012276601 [0,1,0,0,0,0|1,0,2]=4 7909 B11R0.148 C#CCCCCOCCC(C)O 7a_100000766709_100012276601 [0,1,0,0,0,0|1,0,2]=4 7910 B11R0.148 C#CCCCCOCC[C@@H](C)N 34a_100000706166_100010269958 [0,1,0,0,0,0|2,0,1]=4 7911 B11R0.148 C#CCCCCSCCC(C)C 62a_100000210312_100010269958 [0,1,0,0,0,0|2,0,1]=4 7912 B11R0.148 C#CCCCCSCCC(C)C 62a_100010269958_100000210312 [0,1,0,0,0,0|2,0,1]=4 7913 B11R0.148 C#CCCCCSCCC(C)O 62a_100010269958_100012276601 [0,1,0,0,0,0|1,0,2]=4 7914 B11R0.148 C#CCCCCSCCC(C)O 62a_100012276601_100010269958 [0,1,0,0,0,0|1,0,2]=4 7915 B11R0.148 C#CCCCNCCCC(C)C 2230a_200000737386_100000731252 [0,1,0,0,0,0|2,0,1]=4 7916 B11R0.148 C#CCCCNCCCC(C)C 34a_100000718082_100011214892 [0,1,0,0,0,0|2,0,1]=4 7917 B11R0.148 C#CCCCNCCCC(C)C 34a_200000737386_100000695029 [0,1,0,0,0,0|2,0,1]=4 7918 B11R0.148 C#CCCCNCCCC(C)O 34a_100000718082_200000718107 [0,1,0,0,0,0|1,0,2]=4 7919 B11R0.148 C#CCCCOCCCC(C)C 34a_100000210774_100000695029 [0,1,0,0,0,0|2,0,1]=4 7920 B11R0.148 C#CCCCOCCCC(C)C 34a_100000215630_100011214892 [0,1,0,0,0,0|2,0,1]=4 7921 B11R0.148 C#CCCCOCCCC(C)C 7a_100000210774_100011215417 [0,1,0,0,0,0|2,0,1]=4 7922 B11R0.148 C#CCCCOCCCC(C)C 7a_100000215630_100011214892 [0,1,0,0,0,0|2,0,1]=4 7923 B11R0.148 C#CCCCOCCCC(C)O 34a_100000215630_200000718107 [0,1,0,0,0,0|1,0,2]=4 7924 B11R0.148 C#CCCCOCCCC(C)O 7a_100000215630_200000718107 [0,1,0,0,0,0|1,0,2]=4 7925 B11R0.148 C#CCCCSCCCC(C)C 62a_100011214892_100011215417 [0,1,0,0,0,0|2,0,1]=4 7926 B11R0.148 C#CCCCSCCCC(C)C 62a_100011215417_100011214892 [0,1,0,0,0,0|2,0,1]=4 7927 B11R0.148 C#CCCCSCCCC(C)O 62a_100011215417_200000718107 [0,1,0,0,0,0|1,0,2]=4 7928 B11R0.148 C#CCCCSCCCC(C)O 62a_200000718107_100011215417 [0,1,0,0,0,0|1,0,2]=4 7929 B11R0.148 C#CCCNCCCCC(C)C 34a_100000755551_100011216152 [0,1,0,0,0,0|2,0,1]=4 7930 B11R0.148 C#CCCOCCCCC(C)C 34a_100011214890_100000688953 [0,1,0,0,0,0|2,0,1]=4 7931 B11R0.148 C#CCCOCCCCC(C)C 34a_100011215631_100011216152 [0,1,0,0,0,0|2,0,1]=4 7932 B11R0.148 C#CCCOCCCCC(C)C 7a_100011214890_100000688953 [0,1,0,0,0,0|2,0,1]=4 7933 B11R0.148 C#CCCSCCCCC(C)C 62a_100000688953_100011216152 [0,1,0,0,0,0|2,0,1]=4 7934 B11R0.148 C#CCCSCCCCC(C)C 62a_100011216152_100000688953 [0,1,0,0,0,0|2,0,1]=4 7935 B11R0.148 C#CCNCCCCCC(C)C 2230a_100011290863_100000038162 [0,1,0,0,0,0|2,0,1]=4 7936 B11R0.148 C#CCNCCCCCC(C)C 34a_100000212058_100000210682 [0,1,0,0,0,0|2,0,1]=4 7937 B11R0.148 C#CCNCCCCCC(C)C 34a_100011290863_100000184674 [0,1,0,0,0,0|2,0,1]=4 7938 B11R0.148 C#CCOCCCCCC(C)C 34a_100000210247_100000210682 [0,1,0,0,0,0|2,0,1]=4 7939 B11R0.148 C#CCOCCCCCC(C)C 34a_100011995859_100000184674 [0,1,0,0,0,0|2,0,1]=4 7940 B11R0.148 C#CCOCCCCCC(C)C 7a_100011995859_100000038162 [0,1,0,0,0,0|2,0,1]=4 7941 B11R0.148 C#CCSCCCCCC(C)C 62a_100000038162_100000210682 [0,1,0,0,0,0|2,0,1]=4 7942 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,1,0,0,0,0|1,0,2]=4 7943 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,1,0,0,0,0|2,0,1]=4 7944 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,1,0,0,0,0|1,0,2]=4 7945 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,0,0,0,0|2,0,1]=4 7946 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,1,0,0,0,0|1,0,1]=3 7947 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,1,0,0,0,0|1,0,1]=3 7948 B11R0.148 C=C(C)CCNCCOCCO 2230a_100000211614_100000730704 [0,1,0,0,0,0|2,0,1]=4 7949 B11R0.148 C=C(C)CCNCCOCCO 34a_100000211614_100000730704 [0,1,0,0,0,0|2,0,1]=4 7950 B11R0.148 C=C(C)CCNCCSCCO 2230a_100011219999_100000730704 [0,1,0,0,0,0|2,0,1]=4 7951 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,1,0,0,0,0|2,0,1]=4 7952 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,1,0,0,0,0|2,0,1]=4 7953 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,0,0,0,0|2,0,1]=4 7954 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,0,0,0,0|2,0,1]=4 7955 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,0,0,0,0|2,0,1]=4 7956 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,1,0,0,0,0|2,0,1]=4 7957 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,1,0,0,0,0|2,0,1]=4 7958 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,1,0,0,0,0|2,0,1]=4 7959 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,1,0,0,0,0|2,0,1]=4 7960 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,1,0,0,0,0|2,0,1]=4 7961 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,1,0,0,0,0|2,0,1]=4 7962 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,1,0,0,0,0|1,0,1]=3 7963 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [0,1,0,0,0,0|2,0,1]=4 7964 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,0,0,0,0|2,0,1]=4 7965 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,0,0,0,0|2,0,1]=4 7966 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,1,0,0,0,0|2,0,1]=4 7967 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,1,0,0,0,0|2,0,1]=4 7968 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,1,0,0,0,0|1,0,1]=3 7969 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,1,0,0,0,0|1,0,1]=3 7970 B11R0.148 C=C(C)CCSCCOCCO 62a_100000730704_100011215305 [0,1,0,0,0,0|2,0,1]=4 7971 B11R0.148 C=C(C)CCSCCOCCO 62a_100011215305_100000730704 [0,1,0,0,0,0|2,0,1]=4 7972 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,0,0,0,0|2,0,1]=4 7973 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,1,0,0,0,0|1,0,1]=3 7974 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,1,0,0,0,0|1,0,1]=3 7975 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,1,0,0,0,0|2,0,1]=4 7976 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,1,0,0,0,0|2,0,1]=4 7977 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,0,0,0,0|2,0,1]=4 7978 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,0,0,0,0|2,0,1]=4 7979 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,0,0,0,0|2,0,1]=4 7980 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,1,0,0,0,0|2,0,1]=4 7981 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,1,0,0,0,0|2,0,1]=4 7982 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,1,0,0,0,0|2,0,1]=4 7983 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,1,0,0,0,0|2,0,1]=4 7984 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,1,0,0,0,0|2,0,1]=4 7985 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,1,0,0,0,0|2,0,1]=4 7986 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,1,0,0,0,0|1,0,1]=3 7987 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,0,0,0,0|2,0,1]=4 7988 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,0,0,0,0|2,0,1]=4 7989 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,1,0,0,0,0|2,0,1]=4 7990 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,1,0,0,0,0|2,0,1]=4 7991 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,1,0,0,0,0|1,0,1]=3 7992 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,1,0,0,0,0|1,0,1]=3 7993 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,1,0,0,0,0|2,0,1]=4 7994 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,1,0,0,0,0|1,0,2]=4 7995 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,1,0,0,0,0|1,0,2]=4 7996 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,1,0,0,0,0|2,0,1]=4 7997 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,1,0,0,0,0|2,0,1]=4 7998 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,1,0,0,0,0|2,0,1]=4 7999 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,1,0,0,0,0|1,0,2]=4 8000 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,1,0,0,0,0|2,0,1]=4 8001 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,1,0,0,0,0|2,0,1]=4 8002 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,1,0,0,0,0|1,0,2]=4 8003 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,1,0,0,0,0|1,0,2]=4 8004 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,0,0,0,0|1,0,2]=4 8005 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,0,0,0,0|1,0,2]=4 8006 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,0,0,0,0|1,0,2]=4 8007 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,1,0,0,0,0|2,0,1]=4 8008 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,1,0,0,0,0|2,0,1]=4 8009 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,1,0,0,0,0|2,0,1]=4 8010 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,1,0,0,0,0|2,0,1]=4 8011 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,1,0,0,0,0|2,0,1]=4 8012 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,1,0,0,0,0|2,0,1]=4 8013 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,1,0,0,0,0|2,0,1]=4 8014 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,1,0,0,0,0|2,0,1]=4 8015 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,1,0,0,0,0|2,0,1]=4 8016 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,1,0,0,0,0|2,0,1]=4 8017 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,1,0,0,0,0|2,0,1]=4 8018 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,1,0,0,0,0|1,0,2]=4 8019 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,1,0,0,0,0|1,0,2]=4 8020 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,1,0,0,0,0|2,0,1]=4 8021 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,1,0,0,0,0|2,0,1]=4 8022 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,1,0,0,0,0|2,0,1]=4 8023 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,1,0,0,0,0|2,0,1]=4 8024 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,1,0,0,0,0|2,0,1]=4 8025 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,1,0,0,0,0|1,0,2]=4 8026 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,1,0,0,0,0|1,0,2]=4 8027 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,1,0,0,0,0|2,0,1]=4 8028 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,1,0,0,0,0|2,0,1]=4 8029 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,1,0,0,0,0|1,0,2]=4 8030 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,1,0,0,0,0|1,0,2]=4 8031 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,1,0,0,0,0|2,0,1]=4 8032 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,1,0,0,0,0|2,0,1]=4 8033 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,1,0,0,0,0|1,0,2]=4 8034 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,1,0,0,0,0|1,0,2]=4 8035 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,1,0,0,0,0|1,0,2]=4 8036 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,1,0,0,0,0|1,0,2]=4 8037 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,1,0,0,0,0|2,0,1]=4 8038 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,1,0,0,0,0|2,0,1]=4 8039 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,1,0,0,0,0|2,0,1]=4 8040 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,1,0,0,0,0|1,0,2]=4 8041 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,1,0,0,0,0|1,0,2]=4 8042 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,1,0,0,0,0|1,0,2]=4 8043 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,1,0,0,0,0|2,0,1]=4 8044 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,1,0,0,0,0|2,0,1]=4 8045 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,1,0,0,0,0|2,0,1]=4 8046 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,1,0,0,0,0|2,0,1]=4 8047 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,1,0,0,0,0|2,0,1]=4 8048 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,1,0,0,0,0|1,0,2]=4 8049 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,1,0,0,0,0|1,0,2]=4 8050 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,1,0,0,0,0|2,0,1]=4 8051 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,1,0,0,0,0|2,0,1]=4 8052 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,1,0,0,0,0|2,0,1]=4 8053 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,1,0,0,0,0|1,0,2]=4 8054 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,1,0,0,0,0|1,0,2]=4 8055 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,1,0,0,0,0|2,0,1]=4 8056 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,1,0,0,0,0|2,0,1]=4 8057 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,1,0,0,0,0|2,0,1]=4 8058 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,1,0,0,0,0|2,0,1]=4 8059 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,1,0,0,0,0|1,0,2]=4 8060 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,1,0,0,0,0|1,0,2]=4 8061 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,1,0,0,0,0|2,0,1]=4 8062 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,1,0,0,0,0|2,0,1]=4 8063 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,1,0,0,0,0|2,0,1]=4 8064 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,1,0,0,0,0|2,0,1]=4 8065 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,1,0,0,0,0|1,0,2]=4 8066 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,1,0,0,0,0|1,0,2]=4 8067 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,1,0,0,0,0|2,0,1]=4 8068 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,1,0,0,0,0|2,0,1]=4 8069 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,1,0,0,0,0|1,0,2]=4 8070 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,1,0,0,0,0|1,0,2]=4 8071 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,1,0,0,0,0|2,0,1]=4 8072 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,1,0,0,0,0|2,0,1]=4 8073 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,1,0,0,0,0|2,0,1]=4 8074 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,1,0,0,0,0|2,0,1]=4 8075 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,1,0,0,0,0|2,0,1]=4 8076 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,1,0,0,0,0|2,0,1]=4 8077 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,1,0,0,0,0|2,0,1]=4 8078 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,1,0,0,0,0|2,0,1]=4 8079 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,1,0,0,0,0|2,0,1]=4 8080 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,1,0,0,0,0|2,0,1]=4 8081 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,1,0,0,0,0|2,0,1]=4 8082 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,1,0,0,0,0|2,0,1]=4 8083 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,1,0,0,0,0|2,0,1]=4 8084 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,1,0,0,0,0|2,0,1]=4 8085 B11R0.148 CC#CCCOCCCC(C)O 34a_100000750427_200000718107 [0,1,0,0,0,0|1,0,2]=4 8086 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,1,0,0,0,0|1,0,2]=4 8087 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,1,0,0,0,0|1,0,2]=4 8088 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,1,0,0,0,0|1,0,2]=4 8089 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,1,0,0,0,0|1,0,2]=4 8090 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,1,0,0,0,0|1,0,2]=4 8091 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,1,0,0,0,0|1,0,2]=4 8092 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,1,0,0,0,0|1,0,2]=4 8093 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,1,0,0,0,0|1,0,2]=4 8094 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,1,0,0,0,0|1,0,2]=4 8095 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,1,0,0,0,0|1,0,2]=4 8096 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,0,0,0,0|0,0,1]=2 8097 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,0,0,0,0|2,0,1]=4 8098 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,0,0,0,0|2,0,1]=4 8099 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,0,0,0,0|2,0,1]=4 8100 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,0,0,0,0|2,0,1]=4 8101 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,0,0,0,0|2,0,1]=4 8102 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,0,0,0,0|2,0,1]=4 8103 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,0,0,0,0|2,0,1]=4 8104 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,0,0,0,0|1,0,1]=3 8105 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,0,0,0,0|1,0,1]=3 8106 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,0,0,0,0|1,0,1]=3 8107 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,0,0,0,0|2,0,1]=4 8108 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,0,0,0,0|2,0,1]=4 8109 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,0,0,0,0|2,0,1]=4 8110 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,0,0,0,0|2,0,1]=4 8111 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,0,0,0,0|2,0,1]=4 8112 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,0,0,0,0|2,0,1]=4 8113 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,0,0,0,0|2,0,1]=4 8114 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,0,0,0,0|2,0,1]=4 8115 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,1]=4 8116 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,0,0,0,0|1,0,1]=3 8117 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,0,0,0,0|1,0,1]=3 8118 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,0,0,0,0|2,0,1]=4 8119 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,0,0,0,0|2,0,1]=4 8120 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,0,0,0,0|1,0,1]=3 8121 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,0,0,0,0|1,0,1]=3 8122 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,0,0,0,0|2,0,1]=4 8123 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,0,0,0,0|2,0,1]=4 8124 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,0,0,0,0|2,0,1]=4 8125 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,0,0,0,0|2,0,1]=4 8126 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,0,0,0,0|2,0,1]=4 8127 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,0,0,0,0|1,0,1]=3 8128 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,0,0,0,0|1,0,1]=3 8129 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,1,0,0,0,0|2,0,1]=4 8130 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,1,0,0,0,0|2,0,1]=4 8131 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,1,0,0,0,0|2,0,1]=4 8132 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,1,0,0,0,0|2,0,1]=4 8133 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,0,0,0,0|2,0,1]=4 8134 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,0,0,0,0|2,0,1]=4 8135 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,0,0,0,0|1,0,1]=3 8136 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,0,0,0,0|1,0,1]=3 8137 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,1,0,0,0,0|2,0,1]=4 8138 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,1,0,0,0,0|2,0,1]=4 8139 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,0,0,0,0|2,0,1]=4 8140 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,0,0,0,0|1,0,1]=3 8141 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,0,0,0,0|1,0,1]=3 8142 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,1,0,0,0,0|2,0,1]=4 8143 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,1,0,0,0,0|2,0,1]=4 8144 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,1,0,0,0,0|2,0,1]=4 8145 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,1,0,0,0,0|2,0,1]=4 8146 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,1,0,0,0,0|2,0,1]=4 8147 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,1,0,0,0,0|2,0,1]=4 8148 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,1,0,0,0,0|2,0,1]=4 8149 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,1,0,0,0,0|2,0,1]=4 8150 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,1,0,0,0,0|2,0,1]=4 8151 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,1,0,0,0,0|2,0,1]=4 8152 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,1,0,0,0,0|2,0,1]=4 8153 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,1,0,0,0,0|2,0,1]=4 8154 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,1,0,0,0,0|2,0,1]=4 8155 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,1,0,0,0,0|2,0,1]=4 8156 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,1,0,0,0,0|2,0,1]=4 8157 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,1,0,0,0,0|2,0,1]=4 8158 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,1,0,0,0,0|2,0,1]=4 8159 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,1,0,0,0,0|2,0,1]=4 8160 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,1,0,0,0,0|2,0,1]=4 8161 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,1,0,0,0,0|2,0,1]=4 8162 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,1,0,0,0,0|2,0,1]=4 8163 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,1,0,0,0,0|2,0,1]=4 8164 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,1,0,0,0,0|2,0,1]=4 8165 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,1,0,0,0,0|2,0,1]=4 8166 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,1,0,0,0,0|2,0,1]=4 8167 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,1,0,0,0,0|2,0,1]=4 8168 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,1,0,0,0,0|2,0,1]=4 8169 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,1,0,0,0,0|2,0,1]=4 8170 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,1,0,0,0,0|2,0,1]=4 8171 B11R0.148 CC(=S)OCCCSCCCO 62a_100011215043_200135323944 [0,1,0,0,0,0|2,0,1]=4 8172 B11R0.148 CC(=S)OCCCSCCCO 62a_200135323944_100011215043 [0,1,0,0,0,0|2,0,1]=4 8173 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,1,0,0,0,0|2,0,0]=3 8174 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,1,0,0,0,0|1,0,0]=2 8175 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [0,1,0,0,0,0|2,0,0]=3 8176 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,1,0,0,0,0|2,0,0]=3 8177 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,1,0,0,0,0|1,0,0]=2 8178 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,1,0,0,0,0|2,0,0]=3 8179 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,1,0,0,0,0|2,0,0]=3 8180 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,1,0,0,0,0|2,0,0]=3 8181 B11R0.148 CC(C)CCCCCNCC#N 2230a_100011290863_100011215382 [0,1,0,0,0,0|2,0,1]=4 8182 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,1,0,0,0,0|1,0,2]=4 8183 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,1,0,0,0,0|1,0,2]=4 8184 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,1,0,0,0,0|2,0,0]=3 8185 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,1,0,0,0,0|2,0,0]=3 8186 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,1,0,0,0,0|2,0,0]=3 8187 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,1,0,0,0,0|1,0,0]=2 8188 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,1,0,0,0,0|1,0,0]=2 8189 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,1,0,0,0,0|1,0,0]=2 8190 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,1,0,0,0,0|1,0,0]=2 8191 B11R0.148 CC(C)CCCCCOCC#N 7a_100011995859_100011215382 [0,1,0,0,0,0|2,0,1]=4 8192 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,1,0,0,0,0|1,0,2]=4 8193 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,1,0,0,0,0|1,0,2]=4 8194 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,1,0,0,0,0|2,0,0]=3 8195 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,1,0,0,0,0|2,0,0]=3 8196 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,1,0,0,0,0|2,0,0]=3 8197 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,1,0,0,0,0|2,0,0]=3 8198 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,1,0,0,0,0|1,0,0]=2 8199 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,1,0,0,0,0|1,0,0]=2 8200 B11R0.148 CC(C)CCCCCSCC#N 62a_100000210682_100011215382 [0,1,0,0,0,0|2,0,1]=4 8201 B11R0.148 CC(C)CCCCCSCC#N 62a_100011215382_100000210682 [0,1,0,0,0,0|2,0,1]=4 8202 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,1,0,0,0,0|1,0,2]=4 8203 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,1,0,0,0,0|1,0,2]=4 8204 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,1,0,0,0,0|2,0,0]=3 8205 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,1,0,0,0,0|2,0,0]=3 8206 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,1,0,0,0,0|1,0,0]=2 8207 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,1,0,0,0,0|1,0,0]=2 8208 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,1,0,0,0,0|2,0,0]=3 8209 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,1,0,0,0,0|2,0,0]=3 8210 B11R0.148 CC(C)CCCCOCCC#N 7a_100011214890_100000184422 [0,1,0,0,0,0|2,0,1]=4 8211 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,1,0,0,0,0|2,0,0]=3 8212 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,1,0,0,0,0|2,0,0]=3 8213 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,1,0,0,0,0|2,0,0]=3 8214 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,1,0,0,0,0|2,0,0]=3 8215 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,1,0,0,0,0|2,0,0]=3 8216 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,1,0,0,0,0|2,0,0]=3 8217 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,1,0,0,0,0|1,0,0]=2 8218 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,1,0,0,0,0|1,0,0]=2 8219 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,1,0,0,0,0|3,0,0]=4 8220 B11R0.148 CC(C)CCCCSCCC#N 62a_100011215226_100011216152 [0,1,0,0,0,0|2,0,1]=4 8221 B11R0.148 CC(C)CCCCSCCC#N 62a_100011216152_100011215226 [0,1,0,0,0,0|2,0,1]=4 8222 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,1,0,0,0,0|2,0,0]=3 8223 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,1,0,0,0,0|2,0,0]=3 8224 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,1,0,0,0,0|1,0,0]=2 8225 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,1,0,0,0,0|1,0,0]=2 8226 B11R0.148 CC(C)CCCNCC#CCO 2230a_200000737386_200000047223 [0,1,0,0,0,0|1,0,2]=4 8227 B11R0.148 CC(C)CCCNCC#CCO 34a_200000737386_200000047223 [0,1,0,0,0,0|1,0,2]=4 8228 B11R0.148 CC(C)CCCNCCCC#N 2230a_200000737386_100000687738 [0,1,0,0,0,0|2,0,1]=4 8229 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,1,0,0,0,0|1,0,2]=4 8230 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,1,0,0,0,0|2,0,0]=3 8231 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,1,0,0,0,0|2,0,0]=3 8232 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,1,0,0,0,0|1,0,0]=2 8233 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,1,0,0,0,0|1,0,0]=2 8234 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,1,0,0,0,0|1,0,0]=2 8235 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,1,0,0,0,0|1,0,0]=2 8236 B11R0.148 CC(C)CCCOCC#CCO 34a_100000210774_200000047223 [0,1,0,0,0,0|1,0,2]=4 8237 B11R0.148 CC(C)CCCOCC#CCO 7a_100000210774_200000047223 [0,1,0,0,0,0|1,0,2]=4 8238 B11R0.148 CC(C)CCCOCCCC#N 7a_100000210774_100000687738 [0,1,0,0,0,0|2,0,1]=4 8239 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,1,0,0,0,0|1,0,2]=4 8240 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,1,0,0,0,0|2,0,0]=3 8241 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,1,0,0,0,0|2,0,0]=3 8242 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,1,0,0,0,0|2,0,0]=3 8243 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,1,0,0,0,0|2,0,0]=3 8244 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,1,0,0,0,0|2,0,0]=3 8245 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,1,0,0,0,0|2,0,0]=3 8246 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,1,0,0,0,0|2,0,0]=3 8247 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,1,0,0,0,0|2,0,0]=3 8248 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,1,0,0,0,0|2,0,0]=3 8249 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,1,0,0,0,0|1,0,0]=2 8250 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,1,0,0,0,0|1,0,0]=2 8251 B11R0.148 CC(C)CCCSCC#CCO 62a_100011214892_200000047223 [0,1,0,0,0,0|1,0,2]=4 8252 B11R0.148 CC(C)CCCSCC#CCO 62a_200000047223_100011214892 [0,1,0,0,0,0|1,0,2]=4 8253 B11R0.148 CC(C)CCCSCCCC#N 62a_100000687738_100011214892 [0,1,0,0,0,0|2,0,1]=4 8254 B11R0.148 CC(C)CCCSCCCC#N 62a_100011214892_100000687738 [0,1,0,0,0,0|2,0,1]=4 8255 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,1,0,0,0,0|1,0,2]=4 8256 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,1,0,0,0,0|1,0,2]=4 8257 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,1,0,0,0,0|2,0,0]=3 8258 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,1,0,0,0,0|2,0,0]=3 8259 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,1,0,0,0,0|1,0,0]=2 8260 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,1,0,0,0,0|1,0,0]=2 8261 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,1,0,0,0,0|1,0,0]=2 8262 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,1,0,0,0,0|1,0,0]=2 8263 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,1,0,0,0,0|1,0,0]=2 8264 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [0,1,0,0,0,0|2,0,0]=3 8265 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [0,1,0,0,0,0|2,0,0]=3 8266 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [0,1,0,0,0,0|2,0,0]=3 8267 B11R0.148 CC(C)CCNCCSCCO 2230a_100011219999_100000210312 [0,1,0,0,0,0|2,0,0]=3 8268 B11R0.148 CC(C)CCNCCSCCO 269862a_100011219999_100000185833 [0,1,0,0,0,0|2,0,0]=3 8269 B11R0.148 CC(C)CCOCCCCC#N 7a_100000210254_100000211819 [0,1,0,0,0,0|2,0,1]=4 8270 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,1,0,0,0,0|1,0,2]=4 8271 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,1,0,0,0,0|2,0,0]=3 8272 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,1,0,0,0,0|2,0,0]=3 8273 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,1,0,0,0,0|2,0,0]=3 8274 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,1,0,0,0,0|2,0,0]=3 8275 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,1,0,0,0,0|2,0,0]=3 8276 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,1,0,0,0,0|2,0,0]=3 8277 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,1,0,0,0,0|2,0,0]=3 8278 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,1,0,0,0,0|2,0,0]=3 8279 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,1,0,0,0,0|2,0,0]=3 8280 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,1,0,0,0,0|1,0,0]=2 8281 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,1,0,0,0,0|1,0,0]=2 8282 B11R0.148 CC(C)CCOCCOCCBr 34a_100000692535_100000210312 [0,1,0,0,0,0|3,0,0]=4 8283 B11R0.148 CC(C)CCOCCOCCBr 7a_100000692535_100000210626 [0,1,0,0,0,0|3,0,0]=4 8284 B11R0.148 CC(C)CCOCCOCCCl 34a_100011215305_100000210312 [0,1,0,0,0,0|3,0,0]=4 8285 B11R0.148 CC(C)CCOCCOCCCl 7a_100011215305_100000210626 [0,1,0,0,0,0|3,0,0]=4 8286 B11R0.148 CC(C)CCOCCOCCF 34a_200015357709_100000210312 [0,1,0,0,0,0|3,0,0]=4 8287 B11R0.148 CC(C)CCOCCOCCF 7a_200015357709_100000210626 [0,1,0,0,0,0|3,0,0]=4 8288 B11R0.148 CC(C)CCOCCOCCI 34a_100012149058_100000210312 [0,1,0,0,0,0|3,0,0]=4 8289 B11R0.148 CC(C)CCOCCOCCI 7a_100012149058_100000210626 [0,1,0,0,0,0|3,0,0]=4 8290 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [0,1,0,0,0,0|3,0,0]=4 8291 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [0,1,0,0,0,0|2,0,0]=3 8292 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [0,1,0,0,0,0|2,0,0]=3 8293 B11R0.148 CC(C)CCSCCCCC#N 62a_100000210312_100000211819 [0,1,0,0,0,0|2,0,1]=4 8294 B11R0.148 CC(C)CCSCCCCC#N 62a_100011219923_100000210312 [0,1,0,0,0,0|2,0,1]=4 8295 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,1,0,0,0,0|1,0,2]=4 8296 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,1,0,0,0,0|1,0,2]=4 8297 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,1,0,0,0,0|2,0,0]=3 8298 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,1,0,0,0,0|2,0,0]=3 8299 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,1,0,0,0,0|1,0,0]=2 8300 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,1,0,0,0,0|1,0,0]=2 8301 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [0,1,0,0,0,0|2,0,0]=3 8302 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [0,1,0,0,0,0|2,0,0]=3 8303 B11R0.148 CC(C)CNCCCCCC#N 2230a_100000210953_100009813376 [0,1,0,0,0,0|2,0,1]=4 8304 B11R0.148 CC(C)CNCCCCCC#N 270004a_100000061152_100000210432 [0,1,0,0,0,0|2,0,1]=4 8305 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,1,0,0,0,0|1,0,2]=4 8306 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,1,0,0,0,0|2,0,0]=3 8307 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,1,0,0,0,0|2,0,0]=3 8308 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,1,0,0,0,0|1,0,0]=2 8309 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,1,0,0,0,0|1,0,0]=2 8310 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,1,0,0,0,0|1,0,0]=2 8311 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,1,0,0,0,0|1,0,0]=2 8312 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,1,0,0,0,0|1,0,0]=2 8313 B11R0.148 CC(C)CNCCOCCCF 34a_100015185251_100011934791 [0,1,0,0,0,0|3,0,0]=4 8314 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,1,0,0,0,0|2,0,0]=3 8315 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,1,0,0,0,0|2,0,0]=3 8316 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,1,0,0,0,0|2,0,0]=3 8317 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,1,0,0,0,0|2,0,0]=3 8318 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,1,0,0,0,0|2,0,0]=3 8319 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,1,0,0,0,0|2,0,0]=3 8320 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,1,0,0,0,0|2,0,0]=3 8321 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,1,0,0,0,0|2,0,0]=3 8322 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,1,0,0,0,0|2,0,0]=3 8323 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,1,0,0,0,0|1,0,0]=2 8324 B11R0.148 CC(C)COCCCNCCF 2230a_100000205972_100011217306 [0,1,0,0,0,0|3,0,0]=4 8325 B11R0.148 CC(C)COCCCNCCF 34a_100000205972_100011217306 [0,1,0,0,0,0|3,0,0]=4 8326 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [0,1,0,0,0,0|2,0,0]=3 8327 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [0,1,0,0,0,0|2,0,0]=3 8328 B11R0.148 CC(C)COCCOCCCF 34a_100000703358_100011934791 [0,1,0,0,0,0|3,0,0]=4 8329 B11R0.148 CC(C)COCCOCCCF 7a_100000703358_100011934791 [0,1,0,0,0,0|3,0,0]=4 8330 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,1,0,0,0,0|2,0,0]=3 8331 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,1,0,0,0,0|2,0,0]=3 8332 B11R0.148 CC(C)CSCCCCCC#N 62a_100000210624_100009813376 [0,1,0,0,0,0|2,0,1]=4 8333 B11R0.148 CC(C)CSCCCCCC#N 62a_100009813376_100000210760 [0,1,0,0,0,0|2,0,1]=4 8334 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,1,0,0,0,0|1,0,2]=4 8335 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,1,0,0,0,0|1,0,2]=4 8336 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,1,0,0,0,0|2,0,0]=3 8337 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,1,0,0,0,0|2,0,0]=3 8338 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,1,0,0,0,0|1,0,0]=2 8339 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,1,0,0,0,0|1,0,0]=2 8340 B11R0.148 CC(C)CSCCOCCCF 34a_200000230437_100011934791 [0,1,0,0,0,0|3,0,0]=4 8341 B11R0.148 CC(C)CSCCOCCCF 7a_200000230437_100011934791 [0,1,0,0,0,0|3,0,0]=4 8342 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,1,0,0,0,0|2,0,0]=3 8343 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,1,0,0,0,0|2,0,0]=3 8344 B11R0.148 CC(C)NCCCCCCC#N 2230a_100138425928_100009813337 [0,1,0,0,0,0|2,0,1]=4 8345 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,1,0,0,0,0|1,0,0]=2 8346 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,1,0,0,0,0|1,0,0]=2 8347 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,1,0,0,0,0|1,0,0]=2 8348 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,1,0,0,0,0|1,0,0]=2 8349 B11R0.148 CC(C)NCCCCCOCF 34a_100011629493_100015361967 [0,1,0,0,0,0|3,0,0]=4 8350 B11R0.148 CC(C)NCCCCOCCF 34a_100011521146_100011217306 [0,1,0,0,0,0|3,0,0]=4 8351 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [0,1,0,0,0,0|2,0,0]=3 8352 B11R0.148 CC(C)NCCCOCCCF 34a_100000182298_100011934791 [0,1,0,0,0,0|3,0,0]=4 8353 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [0,1,0,0,0,0|2,0,0]=3 8354 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [0,1,0,0,0,0|2,0,0]=3 8355 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [0,1,0,0,0,0|2,0,0]=3 8356 B11R0.148 CC(C)NCCOCCCCF 34a_100000224655_100000729493 [0,1,0,0,0,0|3,0,0]=4 8357 B11R0.148 CC(C)NCCOCCCCO 34a_100000224655_100011216708 [0,1,0,0,0,0|2,0,0]=3 8358 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,1,0,0,0,0|2,0,0]=3 8359 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,1,0,0,0,0|2,0,0]=3 8360 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,1,0,0,0,0|2,0,0]=3 8361 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,1,0,0,0,0|1,0,0]=2 8362 B11R0.148 CC(C)OCCCNCCCF 2230a_100000737246_100011934791 [0,1,0,0,0,0|3,0,0]=4 8363 B11R0.148 CC(C)OCCCNCCCF 34a_100000737246_100011934791 [0,1,0,0,0,0|3,0,0]=4 8364 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,1,0,0,0,0|2,0,0]=3 8365 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,1,0,0,0,0|2,0,0]=3 8366 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,1,0,0,0,0|3,0,0]=4 8367 B11R0.148 CC(C)OCCNCCCCF 2230a_100000701111_100000729493 [0,1,0,0,0,0|3,0,0]=4 8368 B11R0.148 CC(C)OCCNCCCCF 34a_100000701111_100000729493 [0,1,0,0,0,0|3,0,0]=4 8369 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,1,0,0,0,0|2,0,0]=3 8370 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,1,0,0,0,0|2,0,0]=3 8371 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,1,0,0,0,0|2,0,0]=3 8372 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,1,0,0,0,0|2,0,0]=3 8373 B11R0.148 CC(C)OCCOCCCCBr 34a_100011216708_100000211751 [0,1,0,0,0,0|3,0,0]=4 8374 B11R0.148 CC(C)OCCOCCCCCl 34a_100000210776_100000211751 [0,1,0,0,0,0|3,0,0]=4 8375 B11R0.148 CC(C)OCCOCCCCCl 7a_100000210776_100000211751 [0,1,0,0,0,0|3,0,0]=4 8376 B11R0.148 CC(C)OCCOCCCCF 34a_100000211219_100000729493 [0,1,0,0,0,0|3,0,0]=4 8377 B11R0.148 CC(C)OCCOCCCCF 34a_100011995726_100000211751 [0,1,0,0,0,0|3,0,0]=4 8378 B11R0.148 CC(C)OCCOCCCCF 7a_100000211219_100000729493 [0,1,0,0,0,0|3,0,0]=4 8379 B11R0.148 CC(C)OCCOCCCCF 7a_100011995726_100000211751 [0,1,0,0,0,0|3,0,0]=4 8380 B11R0.148 CC(C)OCCOCCCCI 34a_200012148704_100000211751 [0,1,0,0,0,0|3,0,0]=4 8381 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,1,0,0,0,0|3,0,0]=4 8382 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,1,0,0,0,0|2,0,0]=3 8383 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,1,0,0,0,0|2,0,0]=3 8384 B11R0.148 CC(C)OCCSCCCCF 62a_100000211751_100000729493 [0,1,0,0,0,0|3,0,0]=4 8385 B11R0.148 CC(C)OCCSCCCCF 62a_100000729493_100000211751 [0,1,0,0,0,0|3,0,0]=4 8386 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,1,0,0,0,0|2,0,0]=3 8387 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,1,0,0,0,0|2,0,0]=3 8388 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,1,0,0,0,0|2,0,0]=3 8389 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,1,0,0,0,0|2,0,0]=3 8390 B11R0.148 CC(C)OCNCCOCCO 2230a_100000211614_100000709892 [0,1,0,0,0,0|3,0,0]=4 8391 B11R0.148 CC(C)OCNCCOCCO 34a_100000211614_100000709892 [0,1,0,0,0,0|3,0,0]=4 8392 B11R0.148 CC(C)OCNCCSCCO 2230a_100011219999_100000709892 [0,1,0,0,0,0|3,0,0]=4 8393 B11R0.148 CC(C)OCOCCCCCBr 34a_100000746331_100000709892 [0,1,0,0,0,0|3,0,0]=4 8394 B11R0.148 CC(C)OCOCCCCCCl 34a_100000746330_100000709892 [0,1,0,0,0,0|3,0,0]=4 8395 B11R0.148 CC(C)OCOCCCCCI 34a_200012148887_100000709892 [0,1,0,0,0,0|3,0,0]=4 8396 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,1,0,0,0,0|3,0,0]=4 8397 B11R0.148 CC(C)OCSCCCCCF 62a_100000709892_100000729378 [0,1,0,0,0,0|3,0,0]=4 8398 B11R0.148 CC(C)OCSCCCCCF 62a_100000729378_100000709892 [0,1,0,0,0,0|3,0,0]=4 8399 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,1,0,0,0,0|2,0,0]=3 8400 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,1,0,0,0,0|2,0,0]=3 8401 B11R0.148 CC(C)OCSCCOCCO 62a_100000709892_100011215305 [0,1,0,0,0,0|3,0,0]=4 8402 B11R0.148 CC(C)OCSCCOCCO 62a_100011215305_100000709892 [0,1,0,0,0,0|3,0,0]=4 8403 B11R0.148 CC(C)SCCCCCCC#N 62a_100000210206_100009813337 [0,1,0,0,0,0|2,0,1]=4 8404 B11R0.148 CC(C)SCCCCCCC#N 62a_100009813337_100000210206 [0,1,0,0,0,0|2,0,1]=4 8405 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,1,0,0,0,0|1,0,0]=2 8406 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,1,0,0,0,0|1,0,0]=2 8407 B11R0.148 CC(C)SCCNCCCCF 2230a_100000731138_100000729493 [0,1,0,0,0,0|3,0,0]=4 8408 B11R0.148 CC(C)SCCNCCCCF 34a_100000731138_100000729493 [0,1,0,0,0,0|3,0,0]=4 8409 B11R0.148 CC(C)SCCNCCCCO 2230a_100000731138_100000210776 [0,1,0,0,0,0|2,0,0]=3 8410 B11R0.148 CC(C)SCCNCCCCO 2230a_100000750430_100000730970 [0,1,0,0,0,0|2,0,0]=3 8411 B11R0.148 CC(C)SCCNCCCCO 34a_100000731138_100011216708 [0,1,0,0,0,0|2,0,0]=3 8412 B11R0.148 CC(C)SCCNCCCCO 34a_100000750430_100000730970 [0,1,0,0,0,0|2,0,0]=3 8413 B11R0.148 CC(C)SCCOCCCCBr 34a_100011216708_100000730970 [0,1,0,0,0,0|3,0,0]=4 8414 B11R0.148 CC(C)SCCOCCCCCl 34a_100000210776_100000730970 [0,1,0,0,0,0|3,0,0]=4 8415 B11R0.148 CC(C)SCCOCCCCCl 7a_100000210776_100000730970 [0,1,0,0,0,0|3,0,0]=4 8416 B11R0.148 CC(C)SCCOCCCCF 34a_100011995726_100000730970 [0,1,0,0,0,0|3,0,0]=4 8417 B11R0.148 CC(C)SCCOCCCCF 34a_200011212901_100000729493 [0,1,0,0,0,0|3,0,0]=4 8418 B11R0.148 CC(C)SCCOCCCCF 7a_100011995726_100000730970 [0,1,0,0,0,0|3,0,0]=4 8419 B11R0.148 CC(C)SCCOCCCCF 7a_200011212901_100000729493 [0,1,0,0,0,0|3,0,0]=4 8420 B11R0.148 CC(C)SCCOCCCCI 34a_200012148704_100000730970 [0,1,0,0,0,0|3,0,0]=4 8421 B11R0.148 CC(C)SCCOCCCCN 34a_100000750430_100000730970 [0,1,0,0,0,0|3,0,0]=4 8422 B11R0.148 CC(C)SCCOCCCCO 34a_200011212901_100011216708 [0,1,0,0,0,0|2,0,0]=3 8423 B11R0.148 CC(C)SCCOCCCCO 7a_200011212901_100000210776 [0,1,0,0,0,0|2,0,0]=3 8424 B11R0.148 CC(C)SCCSCCCCF 62a_100000729493_100000730970 [0,1,0,0,0,0|3,0,0]=4 8425 B11R0.148 CC(C)SCCSCCCCF 62a_100000730970_100000729493 [0,1,0,0,0,0|3,0,0]=4 8426 B11R0.148 CC(C)SCCSCCCCO 62a_100000210776_100000730970 [0,1,0,0,0,0|2,0,0]=3 8427 B11R0.148 CC(C)SCCSCCCCO 62a_100000730970_100000210776 [0,1,0,0,0,0|2,0,0]=3 8428 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,1,0,0,0,0|2,0,0]=3 8429 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,1,0,0,0,0|1,0,0]=2 8430 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,1,0,0,0,0|1,0,0]=2 8431 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,1,0,0,0,0|1,0,0]=2 8432 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,1,0,0,0,0|2,0,0]=3 8433 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,1,0,0,0,0|2,0,0]=3 8434 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,1,0,0,0,0|2,0,0]=3 8435 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,1,0,0,0,0|2,0,0]=3 8436 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,1,0,0,0,0|2,0,0]=3 8437 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,1,0,0,0,0|2,0,0]=3 8438 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,1,0,0,0,0|2,0,0]=3 8439 B11R0.148 CC(O)CCCSCC#CCO 62a_200000047223_200000718107 [0,1,0,0,0,0|1,0,2]=4 8440 B11R0.148 CC(O)CCCSCC#CCO 62a_200000718107_200000047223 [0,1,0,0,0,0|1,0,2]=4 8441 B11R0.148 CC(O)CCCSCCCC#N 62a_100000687738_200000718107 [0,1,0,0,0,0|2,0,1]=4 8442 B11R0.148 CC(O)CCCSCCCC#N 62a_200000718107_100000687738 [0,1,0,0,0,0|2,0,1]=4 8443 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,1,0,0,0,0|1,0,2]=4 8444 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,1,0,0,0,0|1,0,2]=4 8445 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,1,0,0,0,0|2,0,0]=3 8446 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,1,0,0,0,0|2,0,0]=3 8447 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,1,0,0,0,0|1,0,0]=2 8448 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,1,0,0,0,0|1,0,0]=2 8449 B11R0.148 CC(O)CCNCCCCC#N 2230a_200000755665_100000211819 [0,1,0,0,0,0|2,0,1]=4 8450 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,1,0,0,0,0|1,0,2]=4 8451 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,1,0,0,0,0|2,0,0]=3 8452 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,1,0,0,0,0|1,0,0]=2 8453 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,1,0,0,0,0|1,0,0]=2 8454 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,1,0,0,0,0|1,0,0]=2 8455 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [0,1,0,0,0,0|2,0,0]=3 8456 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [0,1,0,0,0,0|2,0,0]=3 8457 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [0,1,0,0,0,0|2,0,0]=3 8458 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [0,1,0,0,0,0|2,0,0]=3 8459 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,1,0,0,0,0|2,0,0]=3 8460 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,1,0,0,0,0|2,0,0]=3 8461 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,1,0,0,0,0|2,0,0]=3 8462 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,1,0,0,0,0|2,0,0]=3 8463 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,1,0,0,0,0|2,0,0]=3 8464 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,1,0,0,0,0|2,0,0]=3 8465 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,1,0,0,0,0|2,0,0]=3 8466 B11R0.148 CC(O)CCOCCOCCBr 34a_100000692535_100012276601 [0,1,0,0,0,0|3,0,0]=4 8467 B11R0.148 CC(O)CCOCCOCCBr 7a_100000692535_100012276601 [0,1,0,0,0,0|3,0,0]=4 8468 B11R0.148 CC(O)CCOCCOCCCl 34a_100011215305_100012276601 [0,1,0,0,0,0|3,0,0]=4 8469 B11R0.148 CC(O)CCOCCOCCCl 7a_100011215305_100012276601 [0,1,0,0,0,0|3,0,0]=4 8470 B11R0.148 CC(O)CCOCCOCCF 34a_200015357709_100012276601 [0,1,0,0,0,0|3,0,0]=4 8471 B11R0.148 CC(O)CCOCCOCCF 7a_200015357709_100012276601 [0,1,0,0,0,0|3,0,0]=4 8472 B11R0.148 CC(O)CCOCCOCCI 34a_100012149058_100012276601 [0,1,0,0,0,0|3,0,0]=4 8473 B11R0.148 CC(O)CCOCCOCCI 7a_100012149058_100012276601 [0,1,0,0,0,0|3,0,0]=4 8474 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [0,1,0,0,0,0|3,0,0]=4 8475 B11R0.148 CC(O)CCSCCCCC#N 62a_100011219923_100012276601 [0,1,0,0,0,0|2,0,1]=4 8476 B11R0.148 CC(O)CCSCCCCC#N 62a_100012276601_100000211819 [0,1,0,0,0,0|2,0,1]=4 8477 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,1,0,0,0,0|1,0,2]=4 8478 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,1,0,0,0,0|1,0,2]=4 8479 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,1,0,0,0,0|2,0,0]=3 8480 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,1,0,0,0,0|2,0,0]=3 8481 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,1,0,0,0,0|1,0,0]=2 8482 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,1,0,0,0,0|1,0,0]=2 8483 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [0,1,0,0,0,0|2,0,0]=3 8484 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [0,1,0,0,0,0|2,0,0]=3 8485 B11R0.148 CC(O)CNCCCCCC#N 2230a_100000210904_100009813376 [0,1,0,0,0,0|2,0,1]=4 8486 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,1,0,0,0,0|1,0,2]=4 8487 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,1,0,0,0,0|2,0,0]=3 8488 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|2,0,0]=3 8489 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,1,0,0,0,0|1,0,0]=2 8490 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,1,0,0,0,0|1,0,0]=2 8491 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|1,0,0]=2 8492 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,1,0,0,0,0|1,0,0]=2 8493 B11R0.148 CC(O)CNN=CCCCCO 4a_200000730056_100000031955 [0,1,0,0,0,0|2,0,1]=4 8494 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,1,0,0,0,0|2,0,0]=3 8495 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,1,0,0,0,0|2,0,0]=3 8496 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,1,0,0,0,0|2,0,0]=3 8497 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,1,0,0,0,0|2,0,0]=3 8498 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,1,0,0,0,0|2,0,0]=3 8499 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,1,0,0,0,0|2,0,0]=3 8500 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,1,0,0,0,0|2,0,0]=3 8501 B11R0.148 CC(O)CSCCCCCC#N 62a_100009813376_100011218427 [0,1,0,0,0,0|2,0,1]=4 8502 B11R0.148 CC(O)CSCCCCCC#N 62a_100011218427_100009813376 [0,1,0,0,0,0|2,0,1]=4 8503 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,1,0,0,0,0|1,0,2]=4 8504 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,1,0,0,0,0|1,0,2]=4 8505 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,1,0,0,0,0|2,0,0]=3 8506 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,1,0,0,0,0|2,0,0]=3 8507 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,1,0,0,0,0|1,0,0]=2 8508 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,1,0,0,0,0|1,0,0]=2 8509 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [0,1,0,0,0,0|1,0,2]=4 8510 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [0,1,0,0,0,0|1,0,2]=4 8511 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [0,1,0,0,0,0|1,0,2]=4 8512 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [0,1,0,0,0,0|1,0,2]=4 8513 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [0,1,0,0,0,0|1,0,2]=4 8514 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,1,0,0,0,0|1,0,2]=4 8515 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,1,0,0,0,0|1,0,2]=4 8516 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [0,1,0,0,0,0|1,0,2]=4 8517 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [0,1,0,0,0,0|1,0,2]=4 8518 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,1,0,0,0,0|1,0,2]=4 8519 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,1,0,0,0,0|1,0,2]=4 8520 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,1,0,0,0,0|1,0,2]=4 8521 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,1,0,0,0,0|1,0,2]=4 8522 B11R0.148 CCC#CCCOCCC(C)O 34a_100000036655_100012276601 [0,1,0,0,0,0|1,0,2]=4 8523 B11R0.148 CCC#CCCOCCC(C)O 7a_100000036655_100012276601 [0,1,0,0,0,0|1,0,2]=4 8524 B11R0.148 CCC#CCOCCCC(C)O 34a_100000032950_200000718107 [0,1,0,0,0,0|1,0,2]=4 8525 B11R0.148 CCC#CCSCCCC(C)O 62a_100009813939_200000718107 [0,1,0,0,0,0|1,0,2]=4 8526 B11R0.148 CCC#CCSCCCC(C)O 62a_200000718107_100009813939 [0,1,0,0,0,0|1,0,2]=4 8527 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,1,0,0,0,0|1,0,2]=4 8528 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,1,0,0,0,0|1,0,2]=4 8529 B11R0.148 CCCC#CCCOCC(C)O 34a_100000042726_100011218427 [0,1,0,0,0,0|1,0,2]=4 8530 B11R0.148 CCCC#CCCOCC(C)O 7a_100000042726_100011218427 [0,1,0,0,0,0|1,0,2]=4 8531 B11R0.148 CCCC#CCCOC[C@@H](C)O 34a_100000042726_100009817552 [0,1,0,0,0,0|1,0,2]=4 8532 B11R0.148 CCCC#CCCOC[C@@H](C)O 7a_100000042726_100009817552 [0,1,0,0,0,0|1,0,2]=4 8533 B11R0.148 CCCC#CCOCCC(C)O 34a_100000034806_100012276601 [0,1,0,0,0,0|1,0,2]=4 8534 B11R0.148 CCCC#CCOCCC(C)O 7a_100000034806_100012276601 [0,1,0,0,0,0|1,0,2]=4 8535 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [0,1,0,0,0,0|1,0,2]=4 8536 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [0,1,0,0,0,0|1,0,2]=4 8537 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [0,1,0,0,0,0|1,0,2]=4 8538 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [0,1,0,0,0,0|1,0,2]=4 8539 B11R0.148 CCCCC#CCOCC(C)O 34a_200000034558_100011218427 [0,1,0,0,0,0|1,0,2]=4 8540 B11R0.148 CCCCC#CCOCC(C)O 7a_200000034558_100011218427 [0,1,0,0,0,0|1,0,2]=4 8541 B11R0.148 CCCCC#CCOC[C@@H](C)O 34a_200000034558_100009817552 [0,1,0,0,0,0|1,0,2]=4 8542 B11R0.148 CCCCC#CCOC[C@@H](C)O 7a_200000034558_100009817552 [0,1,0,0,0,0|1,0,2]=4 8543 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,1,0,0,0,0|2,0,1]=4 8544 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,0,0,0,0|0,0,2]=3 8545 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,0,0,0,0|0,0,2]=3 8546 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,0,0,0,0|0,0,2]=3 8547 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,1,0,0,0,0|2,0,0]=3 8548 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,1,0,0,0,0|2,0,0]=3 8549 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,1,0,0,0,0|2,0,0]=3 8550 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,1,0,0,0,0|2,0,0]=3 8551 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,1,0,0,0,0|2,0,0]=3 8552 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,1,0,0,0,0|2,0,0]=3 8553 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,0,0,0,0|1,0,2]=4 8554 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,0,0,0,0|1,0,2]=4 8555 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,0,0,0,0|1,0,2]=4 8556 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,0,0,0,0|1,0,2]=4 8557 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,1,0,0,0,0|2,0,0]=3 8558 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,1,0,0,0,0|2,0,0]=3 8559 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,1,0,0,0,0|2,0,0]=3 8560 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,1,0,0,0,0|2,0,0]=3 8561 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,1,0,0,0,0|2,0,0]=3 8562 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,1,0,0,0,0|2,0,0]=3 8563 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,1,0,0,0,0|2,0,0]=3 8564 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,1,0,0,0,0|2,0,0]=3 8565 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,1,0,0,0,0|2,0,0]=3 8566 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,1,0,0,0,0|1,0,2]=4 8567 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,1,0,0,0,0|1,0,2]=4 8568 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,1,0,0,0,0|1,0,1]=3 8569 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,1,0,0,0,0|2,0,0]=3 8570 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,1,0,0,0,0|2,0,0]=3 8571 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,1,0,0,0,0|2,0,0]=3 8572 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,1,0,0,0,0|2,0,0]=3 8573 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,1,0,0,0,0|1,0,0]=2 8574 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,1,0,0,0,0|1,0,0]=2 8575 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,1,0,0,0,0|1,0,0]=2 8576 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,1,0,0,0,0|2,0,0]=3 8577 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,1,0,0,0,0|2,0,0]=3 8578 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,1,0,0,0,0|1,0,0]=2 8579 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,0,0,0,0|1,0,2]=4 8580 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,1,0,0,0,0|1,0,2]=4 8581 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,1,0,0,0,0|1,0,2]=4 8582 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,0,0,0,0|1,0,2]=4 8583 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,1,0,0,0,0|2,0,0]=3 8584 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,1,0,0,0,0|2,0,0]=3 8585 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,1,0,0,0,0|2,0,0]=3 8586 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,1,0,0,0,0|2,0,0]=3 8587 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,1,0,0,0,0|2,0,0]=3 8588 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,1,0,0,0,0|1,0,0]=2 8589 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,1,0,0,0,0|1,0,0]=2 8590 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,1,0,0,0,0|2,0,0]=3 8591 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,1,0,0,0,0|2,0,0]=3 8592 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,1,0,0,0,0|2,0,0]=3 8593 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,1,0,0,0,0|2,0,0]=3 8594 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,1,0,0,0,0|2,0,0]=3 8595 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,1,0,0,0,0|1,0,0]=2 8596 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,1,0,0,0,0|1,0,0]=2 8597 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,1,0,0,0,0|2,0,1]=4 8598 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,1,0,0,0,0|1,0,2]=4 8599 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,1,0,0,0,0|1,0,2]=4 8600 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,0,0,0,0|1,0,2]=4 8601 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,0,0,0,0|1,0,2]=4 8602 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,1,0,0,0,0|2,0,0]=3 8603 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,1,0,0,0,0|2,0,0]=3 8604 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,1,0,0,0,0|1,0,0]=2 8605 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,1,0,0,0,0|1,0,0]=2 8606 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,1,0,0,0,0|2,0,0]=3 8607 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,1,0,0,0,0|2,0,0]=3 8608 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,1,0,0,0,0|1,0,0]=2 8609 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,1,0,0,0,0|1,0,0]=2 8610 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,1,0,0,0,0|2,0,1]=4 8611 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,1,0,0,0,0|1,0,2]=4 8612 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,1,0,0,0,0|2,0,0]=3 8613 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,1,0,0,0,0|2,0,0]=3 8614 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,1,0,0,0,0|1,0,0]=2 8615 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,1,0,0,0,0|1,0,0]=2 8616 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,1,0,0,0,0|3,0,0]=4 8617 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,1,0,0,0,0|2,0,1]=4 8618 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,0,0,0,0|1,0,2]=4 8619 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,0,0,0,0|1,0,2]=4 8620 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,0,0,0,0|1,0,2]=4 8621 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,1,0,0,0,0|1,0,2]=4 8622 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,1,0,0,0,0|1,0,2]=4 8623 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,1,0,0,0,0|1,0,2]=4 8624 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,1,0,0,0,0|1,0,2]=4 8625 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,1,0,0,0,0|2,0,0]=3 8626 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,1,0,0,0,0|2,0,0]=3 8627 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,1,0,0,0,0|2,0,0]=3 8628 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,1,0,0,0,0|2,0,0]=3 8629 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,1,0,0,0,0|2,0,0]=3 8630 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,1,0,0,0,0|1,0,0]=2 8631 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,1,0,0,0,0|1,0,0]=2 8632 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,1,0,0,0,0|2,0,0]=3 8633 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,1,0,0,0,0|3,0,0]=4 8634 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,1,0,0,0,0|2,0,0]=3 8635 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,1,0,0,0,0|3,0,0]=4 8636 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,0,0,0,0|1,0,2]=4 8637 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,0,0,0,0|1,0,2]=4 8638 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,1,0,0,0,0|1,0,2]=4 8639 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,1,0,0,0,0|1,0,2]=4 8640 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,1,0,0,0,0|2,0,0]=3 8641 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,1,0,0,0,0|2,0,0]=3 8642 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,1,0,0,0,0|1,0,0]=2 8643 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,1,0,0,0,0|1,0,0]=2 8644 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,1,0,0,0,0|3,0,0]=4 8645 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,1,0,0,0,0|3,0,0]=4 8646 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,1,0,0,0,0|3,0,0]=4 8647 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,1,0,0,0,0|1,0,2]=4 8648 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,1,0,0,0,0|2,0,0]=3 8649 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,1,0,0,0,0|2,0,0]=3 8650 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,1,0,0,0,0|2,0,0]=3 8651 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,1,0,0,0,0|1,0,0]=2 8652 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,0,0,0,0|2,0,1]=4 8653 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,1,0,0,0,0|3,0,0]=4 8654 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,1,0,0,0,0|3,0,0]=4 8655 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,1,0,0,0,0|3,0,0]=4 8656 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,1,0,0,0,0|3,0,0]=4 8657 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,1,0,0,0,0|3,0,0]=4 8658 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,1,0,0,0,0|3,0,0]=4 8659 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,1,0,0,0,0|3,0,0]=4 8660 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,0,0,0,0|1,0,2]=4 8661 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,0,0,0,0|1,0,2]=4 8662 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,0,0,0,0|1,0,2]=4 8663 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,0,0,0,0|1,0,2]=4 8664 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,1,0,0,0,0|1,0,2]=4 8665 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,1,0,0,0,0|1,0,2]=4 8666 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,1,0,0,0,0|2,0,0]=3 8667 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,1,0,0,0,0|2,0,0]=3 8668 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,1,0,0,0,0|2,0,0]=3 8669 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,1,0,0,0,0|2,0,0]=3 8670 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,1,0,0,0,0|1,0,0]=2 8671 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,1,0,0,0,0|1,0,0]=2 8672 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,1,0,0,0,0|3,0,0]=4 8673 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,1,0,0,0,0|2,0,1]=4 8674 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,1,0,0,0,0|3,0,0]=4 8675 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,1,0,0,0,0|3,0,0]=4 8676 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,1,0,0,0,0|3,0,0]=4 8677 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,1,0,0,0,0|3,0,0]=4 8678 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,1,0,0,0,0|3,0,0]=4 8679 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,1,0,0,0,0|3,0,0]=4 8680 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,1,0,0,0,0|3,0,0]=4 8681 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,1,0,0,0,0|3,0,0]=4 8682 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,1,0,0,0,0|3,0,0]=4 8683 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,1,0,0,0,0|3,0,0]=4 8684 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,1,0,0,0,0|3,0,0]=4 8685 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,0,0,0,0|1,0,2]=4 8686 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,0,0,0,0|1,0,2]=4 8687 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,1,0,0,0,0|1,0,2]=4 8688 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,1,0,0,0,0|1,0,2]=4 8689 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,1,0,0,0,0|2,0,0]=3 8690 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,1,0,0,0,0|2,0,0]=3 8691 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,1,0,0,0,0|1,0,0]=2 8692 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,1,0,0,0,0|1,0,0]=2 8693 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,1,0,0,0,0|3,0,0]=4 8694 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,1,0,0,0,0|3,0,0]=4 8695 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,1,0,0,0,0|3,0,0]=4 8696 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,1,0,0,0,0|3,0,0]=4 8697 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,1,0,0,0,0|3,0,0]=4 8698 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,1,0,0,0,0|2,0,0]=3 8699 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,1,0,0,0,0|2,0,0]=3 8700 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,0,0,0,0|1,0,2]=4 8701 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,1,0,0,0,0|1,0,2]=4 8702 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,1,0,0,0,0|2,0,0]=3 8703 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,1,0,0,0,0|2,0,0]=3 8704 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,1,0,0,0,0|3,0,0]=4 8705 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,1,0,0,0,0|3,0,0]=4 8706 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,1,0,0,0,0|2,0,1]=4 8707 B11R0.148 CCCCNCCOCC(F)F 2230a_100000102301_200012177212 [0,1,0,0,0,0|3,0,0]=4 8708 B11R0.148 CCCCNCCOCC(F)F 7a_106832991798_200012177212 [0,1,0,0,0,0|3,0,0]=4 8709 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,1,0,0,0,0|2,0,0]=3 8710 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,1,0,0,0,0|2,0,0]=3 8711 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,0,0,0,0|1,0,2]=4 8712 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,0,0,0,0|1,0,2]=4 8713 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,1,0,0,0,0|1,0,2]=4 8714 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,1,0,0,0,0|1,0,2]=4 8715 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,1,0,0,0,0|2,0,0]=3 8716 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,1,0,0,0,0|2,0,0]=3 8717 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,1,0,0,0,0|2,0,0]=3 8718 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,1,0,0,0,0|2,0,0]=3 8719 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,1,0,0,0,0|2,0,1]=4 8720 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,1,0,0,0,0|2,0,1]=4 8721 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,1,0,0,0,0|3,0,0]=4 8722 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,1,0,0,0,0|3,0,0]=4 8723 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,1,0,0,0,0|3,0,0]=4 8724 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,1,0,0,0,0|3,0,0]=4 8725 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,1,0,0,0,0|3,0,0]=4 8726 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,1,0,0,0,0|2,0,1]=4 8727 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [0,1,0,0,0,0|3,0,0]=4 8728 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [0,1,0,0,0,0|3,0,0]=4 8729 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [0,1,0,0,0,0|3,0,0]=4 8730 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,1,0,0,0,0|2,0,0]=3 8731 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,1,0,0,0,0|2,0,0]=3 8732 B11R0.148 CCCCOCCNCC(F)F 34a_100000765723_100000743108 [0,1,0,0,0,0|3,0,0]=4 8733 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,1,0,0,0,0|3,0,0]=4 8734 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,1,0,0,0,0|3,0,0]=4 8735 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,1,0,0,0,0|3,0,0]=4 8736 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,1,0,0,0,0|3,0,0]=4 8737 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,1,0,0,0,0|3,0,0]=4 8738 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,1,0,0,0,0|3,0,0]=4 8739 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,1,0,0,0,0|3,0,0]=4 8740 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,1,0,0,0,0|2,0,0]=3 8741 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,1,0,0,0,0|2,0,0]=3 8742 B11R0.148 CCCCOCCOCC(F)F 34a_100000210227_200012177212 [0,1,0,0,0,0|3,0,0]=4 8743 B11R0.148 CCCCOCCOCC(F)F 34a_100000210238_100011934356 [0,1,0,0,0,0|3,0,0]=4 8744 B11R0.148 CCCCOCCOCC(F)F 34a_100000704375_100000210210 [0,1,0,0,0,0|3,0,0]=4 8745 B11R0.148 CCCCOCCOCC(F)F 34a_100000743014_100000743108 [0,1,0,0,0,0|3,0,0]=4 8746 B11R0.148 CCCCOCCOCC(F)F 7a_100000210227_200012177212 [0,1,0,0,0,0|3,0,0]=4 8747 B11R0.148 CCCCOCCOCC(F)F 7a_100000210238_100011934356 [0,1,0,0,0,0|3,0,0]=4 8748 B11R0.148 CCCCOCCOCC(F)F 7a_100000704375_100000210211 [0,1,0,0,0,0|3,0,0]=4 8749 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,1,0,0,0,0|3,0,0]=4 8750 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,1,0,0,0,0|3,0,0]=4 8751 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,1,0,0,0,0|2,0,0]=3 8752 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,1,0,0,0,0|2,0,0]=3 8753 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [0,1,0,0,0,0|3,0,0]=4 8754 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [0,1,0,0,0,0|3,0,0]=4 8755 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [0,1,0,0,0,0|3,0,0]=4 8756 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [0,1,0,0,0,0|3,0,0]=4 8757 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,1,0,0,0,0|2,0,0]=3 8758 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,1,0,0,0,0|2,0,0]=3 8759 B11R0.148 CCCCOCCSCC(F)F 62a_100000743108_100011934356 [0,1,0,0,0,0|3,0,0]=4 8760 B11R0.148 CCCCOCCSCC(F)F 62a_100011934356_100000743108 [0,1,0,0,0,0|3,0,0]=4 8761 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,1,0,0,0,0|2,0,0]=3 8762 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,1,0,0,0,0|2,0,0]=3 8763 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,1,0,0,0,0|2,0,0]=3 8764 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [0,1,0,0,0,0|3,0,0]=4 8765 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [0,1,0,0,0,0|3,0,0]=4 8766 B11R0.148 CCCCOCOCCC(F)F 34a_100103093639_100011995733 [0,1,0,0,0,0|3,0,0]=4 8767 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [0,1,0,0,0,0|3,0,0]=4 8768 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [0,1,0,0,0,0|3,0,0]=4 8769 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [0,1,0,0,0,0|3,0,0]=4 8770 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,1,0,0,0,0|2,0,0]=3 8771 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,1,0,0,0,0|2,0,0]=3 8772 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,1,0,0,0,0|2,0,0]=3 8773 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,1,0,0,0,0|2,0,0]=3 8774 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,0,0,0,0|1,0,2]=4 8775 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,0,0,0,0|1,0,2]=4 8776 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,1,0,0,0,0|2,0,0]=3 8777 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,1,0,0,0,0|2,0,0]=3 8778 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,1,0,0,0,0|3,0,0]=4 8779 B11R0.148 CCCCSCCNCC(C)C 2230a_100025743550_100000210760 [0,1,0,0,0,0|3,0,0]=4 8780 B11R0.148 CCCCSCCNCC(C)C 270004a_100025743550_100000210432 [0,1,0,0,0,0|3,0,0]=4 8781 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,1,0,0,0,0|2,0,0]=3 8782 B11R0.148 CCCCSCCNCC(F)F 2230a_100025743550_100011934356 [0,1,0,0,0,0|3,0,0]=4 8783 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,1,0,0,0,0|2,0,0]=3 8784 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [0,1,0,0,0,0|3,0,0]=4 8785 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [0,1,0,0,0,0|3,0,0]=4 8786 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,1,0,0,0,0|2,0,0]=3 8787 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,1,0,0,0,0|2,0,0]=3 8788 B11R0.148 CCCCSCCOCC(F)F 34a_200000230436_100011934356 [0,1,0,0,0,0|3,0,0]=4 8789 B11R0.148 CCCCSCCOCC(F)F 62a_100000210211_200012177212 [0,1,0,0,0,0|3,0,0]=4 8790 B11R0.148 CCCCSCCOCC(F)F 62a_200012177212_100000210210 [0,1,0,0,0,0|3,0,0]=4 8791 B11R0.148 CCCCSCCOCC(F)F 7a_200000230436_100011934356 [0,1,0,0,0,0|3,0,0]=4 8792 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,1,0,0,0,0|2,0,0]=3 8793 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,1,0,0,0,0|2,0,0]=3 8794 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,1,0,0,0,0|2,0,0]=3 8795 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,1,0,0,0,0|2,0,0]=3 8796 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [0,1,0,0,0,0|3,0,0]=4 8797 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [0,1,0,0,0,0|3,0,0]=4 8798 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,1,0,0,0,0|2,0,0]=3 8799 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,1,0,0,0,0|1,0,2]=4 8800 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,1,0,0,0,0|1,0,2]=4 8801 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,1,0,0,0,0|1,0,2]=4 8802 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,0,0,0,0|1,0,2]=4 8803 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,1,0,0,0,0|2,0,0]=3 8804 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,1,0,0,0,0|2,0,0]=3 8805 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,1,0,0,0,0|2,0,0]=3 8806 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,1,0,0,0,0|3,0,0]=4 8807 B11R0.148 CCCOCCCNCC(C)C 2230a_100011217757_100000210760 [0,1,0,0,0,0|3,0,0]=4 8808 B11R0.148 CCCOCCCNCC(C)C 270004a_100011217757_100000210432 [0,1,0,0,0,0|3,0,0]=4 8809 B11R0.148 CCCOCCCNCC(C)C 34a_100011217757_100000210624 [0,1,0,0,0,0|3,0,0]=4 8810 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,1,0,0,0,0|2,0,0]=3 8811 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,1,0,0,0,0|2,0,0]=3 8812 B11R0.148 CCCOCCCNCC(F)F 2230a_100011217757_100011934356 [0,1,0,0,0,0|3,0,0]=4 8813 B11R0.148 CCCOCCCNCC(F)F 34a_100011217757_100011934356 [0,1,0,0,0,0|3,0,0]=4 8814 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,1,0,0,0,0|2,0,0]=3 8815 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,1,0,0,0,0|2,0,0]=3 8816 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [0,1,0,0,0,0|3,0,0]=4 8817 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [0,1,0,0,0,0|3,0,0]=4 8818 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [0,1,0,0,0,0|3,0,0]=4 8819 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,1,0,0,0,0|2,0,0]=3 8820 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,1,0,0,0,0|2,0,0]=3 8821 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,1,0,0,0,0|2,0,0]=3 8822 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [0,1,0,0,0,0|3,0,0]=4 8823 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [0,1,0,0,0,0|3,0,0]=4 8824 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [0,1,0,0,0,0|3,0,0]=4 8825 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [0,1,0,0,0,0|3,0,0]=4 8826 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [0,1,0,0,0,0|3,0,0]=4 8827 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,1,0,0,0,0|2,0,0]=3 8828 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,1,0,0,0,0|2,0,0]=3 8829 B11R0.148 CCCOCCOCCC(F)F 34a_100103093639_100011215938 [0,1,0,0,0,0|3,0,0]=4 8830 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [0,1,0,0,0,0|3,0,0]=4 8831 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [0,1,0,0,0,0|3,0,0]=4 8832 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [0,1,0,0,0,0|3,0,0]=4 8833 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,1,0,0,0,0|2,0,0]=3 8834 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,1,0,0,0,0|2,0,0]=3 8835 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,1,0,0,0,0|2,0,0]=3 8836 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,1,0,0,0,0|2,0,0]=3 8837 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,1,0,0,0,0|1,0,2]=4 8838 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,1,0,0,0,0|1,0,2]=4 8839 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,1,0,0,0,0|2,0,0]=3 8840 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,1,0,0,0,0|2,0,0]=3 8841 B11R0.148 CCCSCCNCCC(C)C 2230a_100020603323_100000210312 [0,1,0,0,0,0|3,0,0]=4 8842 B11R0.148 CCCSCCNCCC(C)C 269862a_100020603323_100000185833 [0,1,0,0,0,0|3,0,0]=4 8843 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,1,0,0,0,0|2,0,0]=3 8844 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [0,1,0,0,0,0|3,0,0]=4 8845 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [0,1,0,0,0,0|3,0,0]=4 8846 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,1,0,0,0,0|2,0,0]=3 8847 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,1,0,0,0,0|2,0,0]=3 8848 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,1,0,0,0,0|2,0,0]=3 8849 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,1,0,0,0,0|2,0,0]=3 8850 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,1,0,0,0,0|2,0,0]=3 8851 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,1,0,0,0,0|2,0,0]=3 8852 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,1,0,0,0,0|3,0,0]=4 8853 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [0,1,0,0,0,0|3,0,0]=4 8854 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [0,1,0,0,0,0|3,0,0]=4 8855 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [0,1,0,0,0,0|3,0,0]=4 8856 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,1,0,0,0,0|2,0,0]=3 8857 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,1,0,0,0,0|2,0,0]=3 8858 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,1,0,0,0,0|2,0,0]=3 8859 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [0,1,0,0,0,0|3,0,0]=4 8860 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [0,1,0,0,0,0|3,0,0]=4 8861 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [0,1,0,0,0,0|3,0,0]=4 8862 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [0,1,0,0,0,0|3,0,0]=4 8863 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [0,1,0,0,0,0|3,0,0]=4 8864 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,1,0,0,0,0|2,0,0]=3 8865 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,1,0,0,0,0|2,0,0]=3 8866 B11R0.148 CCOCCCOCCC(F)F 34a_100103093639_100012232248 [0,1,0,0,0,0|3,0,0]=4 8867 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [0,1,0,0,0,0|3,0,0]=4 8868 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [0,1,0,0,0,0|3,0,0]=4 8869 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [0,1,0,0,0,0|3,0,0]=4 8870 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,1,0,0,0,0|2,0,0]=3 8871 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,1,0,0,0,0|2,0,0]=3 8872 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [0,1,0,0,0,0|3,0,0]=4 8873 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [0,1,0,0,0,0|3,0,0]=4 8874 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [0,1,0,0,0,0|3,0,0]=4 8875 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [0,1,0,0,0,0|3,0,0]=4 8876 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,1,0,0,0,0|2,0,0]=3 8877 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,1,0,0,0,0|2,0,0]=3 8878 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [0,1,0,0,0,0|3,0,0]=4 8879 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [0,1,0,0,0,0|3,0,0]=4 8880 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [0,1,0,0,0,0|3,0,0]=4 8881 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [0,1,0,0,0,0|3,0,0]=4 8882 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,1,0,0,0,0|2,0,0]=3 8883 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,1,0,0,0,0|2,0,0]=3 8884 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [0,1,0,0,0,0|3,0,0]=4 8885 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [0,1,0,0,0,0|3,0,0]=4 8886 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,1,0,0,0,0|2,0,0]=3 8887 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,1,0,0,0,0|2,0,0]=3 8888 B11R0.148 CCOCSCCCCB(O)O 62a_100000739092_200009817182 [0,1,0,0,0,0|3,0,0]=4 8889 B11R0.148 CCOCSCCCCB(O)O 62a_200009817182_100000739092 [0,1,0,0,0,0|3,0,0]=4 8890 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [0,1,0,0,0,0|3,0,0]=4 8891 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [0,1,0,0,0,0|3,0,0]=4 8892 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,1,0,0,0,0|2,0,0]=3 8893 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,1,0,0,0,0|2,0,0]=3 8894 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [0,1,0,0,0,0|3,0,0]=4 8895 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [0,1,0,0,0,0|3,0,0]=4 8896 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,1,0,0,0,0|2,0,0]=3 8897 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,1,0,0,0,0|2,0,0]=3 8898 B11R0.148 CCSCCNCCCC(C)C 2230a_100000106463_100011214892 [0,1,0,0,0,0|3,0,0]=4 8899 B11R0.148 CCSCCNCCCC(C)C 2230a_200000737386_100000757381 [0,1,0,0,0,0|3,0,0]=4 8900 B11R0.148 CCSCCNCCCC(C)C 34a_200000737386_100000757381 [0,1,0,0,0,0|3,0,0]=4 8901 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,1,0,0,0,0|2,0,0]=3 8902 B11R0.148 CCSCCOCCCC(C)C 34a_100000210774_100000757381 [0,1,0,0,0,0|3,0,0]=4 8903 B11R0.148 CCSCCOCCCC(C)C 34a_100000212035_100011214892 [0,1,0,0,0,0|3,0,0]=4 8904 B11R0.148 CCSCCOCCCC(C)C 7a_100000210774_100000757381 [0,1,0,0,0,0|3,0,0]=4 8905 B11R0.148 CCSCCOCCCC(C)C 7a_100000212035_100011214892 [0,1,0,0,0,0|3,0,0]=4 8906 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,1,0,0,0,0|2,0,0]=3 8907 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,1,0,0,0,0|2,0,0]=3 8908 B11R0.148 CCSCCSCCCC(C)C 62a_100000757381_100011214892 [0,1,0,0,0,0|3,0,0]=4 8909 B11R0.148 CCSCCSCCCC(C)C 62a_100011214892_100000757381 [0,1,0,0,0,0|3,0,0]=4 8910 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,1,0,0,0,0|2,0,0]=3 8911 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,1,0,0,0,0|2,0,0]=3 8912 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,1,0,0,0,0|1,0,0]=2 8913 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,1,0,0,0,0|1,0,0]=2 8914 B11R0.148 CN(C)CCCCSCCCF 62a_100011934791_100000690147 [0,1,0,0,0,0|3,0,0]=4 8915 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,1,0,0,0,0|2,0,0]=3 8916 B11R0.148 CN(C)CCCOCCCCCl 7a_100000210776_100000757444 [0,1,0,0,0,0|3,0,0]=4 8917 B11R0.148 CN(C)CCCOCCCCF 7a_100011995726_100000757444 [0,1,0,0,0,0|3,0,0]=4 8918 B11R0.148 CN(C)CCCSCCCCF 62a_100000729493_100000757444 [0,1,0,0,0,0|3,0,0]=4 8919 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [0,1,0,0,0,0|2,0,0]=3 8920 B11R0.148 CN(C)CCOCCCCCBr 7a_100000746331_100000755713 [0,1,0,0,0,0|3,0,0]=4 8921 B11R0.148 CN(C)CCOCCCCCCl 7a_100000746330_100000755713 [0,1,0,0,0,0|3,0,0]=4 8922 B11R0.148 CN(C)CCOCCCCCI 7a_200012148887_100000755713 [0,1,0,0,0,0|3,0,0]=4 8923 B11R0.148 CN(C)CCOCCOCCO 2230a_100102631434_100000032323 [0,1,0,0,0,0|3,0,0]=4 8924 B11R0.148 CN(C)CCOCCOCCO 2230a_200014138305_200000210301 [0,1,0,0,0,0|3,0,0]=4 8925 B11R0.148 CN(C)CCOCCOCCO 269982a_100102631434_100000032323 [0,1,0,0,0,0|3,0,0]=4 8926 B11R0.148 CN(C)CCOCCOCCO 269982a_200014138305_200000210301 [0,1,0,0,0,0|3,0,0]=4 8927 B11R0.148 CN(C)CCOCCOCCO 34a_200014138305_200000210301 [0,1,0,0,0,0|3,0,0]=4 8928 B11R0.148 CN(C)CCSCCCCCF 62a_100000729378_100000755713 [0,1,0,0,0,0|3,0,0]=4 8929 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,1,0,0,0,0|2,0,0]=3 8930 B11R0.148 CN(C)CCSCCOCCO 62a_100011215305_100000755713 [0,1,0,0,0,0|3,0,0]=4 8931 B11R0.148 CN([13CH3])CCOCCOCCO 2230a_200014138305_200025704644 [0,1,0,0,0,0|3,0,0]=4 8932 B11R0.148 CN([13CH3])CCOCCOCCO 269982a_200014138305_200025704644 [0,1,0,0,0,0|3,0,0]=4 8933 B11R0.148 CN([13CH3])CCOCCOCCO 34a_200014138305_200025704644 [0,1,0,0,0,0|3,0,0]=4 8934 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,1,0,0,0,0|3,0,0]=4 8935 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,1,0,0,0,0|2,0,0]=3 8936 B11R0.148 CNCCCCCOCC(F)F 34a_100000722520_100011934356 [0,1,0,0,0,0|3,0,0]=4 8937 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,1,0,0,0,0|2,0,0]=3 8938 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,1,0,0,0,0|3,0,0]=4 8939 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,1,0,0,0,0|2,0,0]=3 8940 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [0,1,0,0,0,0|3,0,0]=4 8941 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [0,1,0,0,0,0|3,0,0]=4 8942 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,1,0,0,0,0|2,0,0]=3 8943 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,1,0,0,0,0|2,0,0]=3 8944 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,1,0,0,0,0|3,0,0]=4 8945 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,1,0,0,0,0|3,0,0]=4 8946 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,1,0,0,0,0|3,0,0]=4 8947 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,1,0,0,0,0|3,0,0]=4 8948 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,1,0,0,0,0|3,0,0]=4 8949 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,1,0,0,0,0|3,0,0]=4 8950 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,1,0,0,0,0|3,0,0]=4 8951 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,1,0,0,0,0|3,0,0]=4 8952 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,1,0,0,0,0|3,0,0]=4 8953 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,1,0,0,0,0|3,0,0]=4 8954 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,1,0,0,0,0|2,0,0]=3 8955 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,1,0,0,0,0|2,0,0]=3 8956 B11R0.148 COCCCCCNCC(F)F 2230a_100000747528_100011934356 [0,1,0,0,0,0|3,0,0]=4 8957 B11R0.148 COCCCCCNCC(F)F 34a_100000747528_100011934356 [0,1,0,0,0,0|3,0,0]=4 8958 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,1,0,0,0,0|2,0,0]=3 8959 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,1,0,0,0,0|2,0,0]=3 8960 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,1,0,0,0,0|2,0,0]=3 8961 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,1,0,0,0,0|3,0,0]=4 8962 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,1,0,0,0,0|3,0,0]=4 8963 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,1,0,0,0,0|3,0,0]=4 8964 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,1,0,0,0,0|3,0,0]=4 8965 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,1,0,0,0,0|2,0,0]=3 8966 B11R0.148 COCCCCOCCC(F)F 34a_100103093639_100000755781 [0,1,0,0,0,0|3,0,0]=4 8967 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,1,0,0,0,0|3,0,0]=4 8968 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,1,0,0,0,0|3,0,0]=4 8969 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,1,0,0,0,0|3,0,0]=4 8970 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,1,0,0,0,0|2,0,0]=3 8971 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,1,0,0,0,0|2,0,0]=3 8972 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,1,0,0,0,0|3,0,0]=4 8973 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,1,0,0,0,0|3,0,0]=4 8974 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,1,0,0,0,0|3,0,0]=4 8975 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,1,0,0,0,0|2,0,0]=3 8976 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,1,0,0,0,0|3,0,0]=4 8977 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,1,0,0,0,0|3,0,0]=4 8978 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,1,0,0,0,0|3,0,0]=4 8979 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,1,0,0,0,0|2,0,0]=3 8980 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,1,0,0,0,0|3,0,0]=4 8981 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,1,0,0,0,0|3,0,0]=4 8982 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,1,0,0,0,0|2,0,0]=3 8983 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,1,0,0,0,0|2,0,0]=3 8984 B11R0.148 COCCNCCCCB(O)O 2230a_100000209980_200009817182 [0,1,0,0,0,0|3,0,0]=4 8985 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,1,0,0,0,0|3,0,0]=4 8986 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,1,0,0,0,0|3,0,0]=4 8987 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,1,0,0,0,0|3,0,0]=4 8988 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,1,0,0,0,0|3,0,0]=4 8989 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,1,0,0,0,0|3,0,0]=4 8990 B11R0.148 COCCOCCNCC(C)O 2230a_100000210904_100000695917 [0,1,0,0,0,0|3,0,0]=4 8991 B11R0.148 COCCOCCNCC(C)O 2230a_100000745349_100011218427 [0,1,0,0,0,0|3,0,0]=4 8992 B11R0.148 COCCOCCNCC(C)O 34a_100000210904_100000695917 [0,1,0,0,0,0|3,0,0]=4 8993 B11R0.148 COCCOCCNCC(C)O 34a_100000745349_100011218427 [0,1,0,0,0,0|3,0,0]=4 8994 B11R0.148 COCCOCCNC[C@@H](C)O 2230a_100000745349_100009817552 [0,1,0,0,0,0|3,0,0]=4 8995 B11R0.148 COCCOCCNC[C@@H](C)O 34a_100000745349_100009817552 [0,1,0,0,0,0|3,0,0]=4 8996 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [0,1,0,0,0,0|3,0,0]=4 8997 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [0,1,0,0,0,0|3,0,0]=4 8998 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [0,1,0,0,0,0|3,0,0]=4 8999 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [0,1,0,0,0,0|3,0,0]=4 9000 B11R0.148 COCCOCCSCC(C)O 62a_100000695917_100011218427 [0,1,0,0,0,0|3,0,0]=4 9001 B11R0.148 COCCOCCSCC(C)O 62a_100011218427_100000695917 [0,1,0,0,0,0|3,0,0]=4 9002 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100000695917_100009817552 [0,1,0,0,0,0|3,0,0]=4 9003 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100009817552_100000695917 [0,1,0,0,0,0|3,0,0]=4 9004 B11R0.148 COCCOCNCCC(C)O 2230a_200000755665_100000231047 [0,1,0,0,0,0|3,0,0]=4 9005 B11R0.148 COCCOCSCCC(C)O 62a_100000231047_100012276601 [0,1,0,0,0,0|3,0,0]=4 9006 B11R0.148 COCCOCSCCC(C)O 62a_100012276601_100000231047 [0,1,0,0,0,0|3,0,0]=4 9007 B11R0.148 COCCSCCCCB(O)O 62a_100000233755_200009817182 [0,1,0,0,0,0|3,0,0]=4 9008 B11R0.148 COCCSCCCCB(O)O 62a_200009817182_100000233755 [0,1,0,0,0,0|3,0,0]=4 9009 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,1,0,0,0,0|3,0,0]=4 9010 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,1,0,0,0,0|3,0,0]=4 9011 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,1,0,0,0,0|3,0,0]=4 9012 B11R0.148 COCSCCCCCB(O)O 62a_100000766300_200009817188 [0,1,0,0,0,0|3,0,0]=4 9013 B11R0.148 COCSCCCCCB(O)O 62a_200009817188_100000766300 [0,1,0,0,0,0|3,0,0]=4 9014 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,1,0,0,0,0|3,0,0]=4 9015 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,1,0,0,0,0|3,0,0]=4 9016 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,1,0,0,0,0|3,0,0]=4 9017 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,1,0,0,0,0|2,0,0]=3 9018 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,1,0,0,0,0|3,0,0]=4 9019 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,1,0,0,0,0|3,0,0]=4 9020 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,1,0,0,0,0|2,0,0]=3 9021 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,1,0,0,0,0|2,0,0]=3 9022 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,1,0,0,0,0|3,0,0]=4 9023 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,1,0,0,0,0|2,0,0]=3 9024 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,1,0,0,0,0|3,0,0]=4 9025 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,1,0,0,0,0|3,0,0]=4 9026 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,1,0,0,0,0|2,0,0]=3 9027 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,1,0,0,0,0|2,0,0]=3 9028 B11R0.148 CSCCNCCCCB(O)O 2230a_100020590264_200009817182 [0,1,0,0,0,0|3,0,0]=4 9029 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,1,0,0,0,0|3,0,0]=4 9030 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,1,0,0,0,0|3,0,0]=4 9031 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,1,0,0,0,0|3,0,0]=4 9032 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,1,0,0,0,0|3,0,0]=4 9033 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,1,0,0,0,0|3,0,0]=4 9034 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,1,0,0,0,0|3,0,0]=4 9035 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,1,0,0,0,0|3,0,0]=4 9036 B11R0.148 CSCCSCCCCB(O)O 62a_100000212216_200009817182 [0,1,0,0,0,0|3,0,0]=4 9037 B11R0.148 CSCCSCCCCB(O)O 62a_200009817182_100000751147 [0,1,0,0,0,0|3,0,0]=4 9038 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,1,0,0,0,0|3,0,0]=4 9039 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,1,0,0,0,0|3,0,0]=4 9040 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,1,0,0,0,0|3,0,0]=4 9041 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,1,0,0,0,0|3,0,0]=4 9042 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,1,0,0,0,0|3,0,0]=4 9043 B11R0.148 CSCSCCCCCB(O)O 62a_100011218213_200009817188 [0,1,0,0,0,0|3,0,0]=4 9044 B11R0.148 CSCSCCCCCB(O)O 62a_200009817188_100011218213 [0,1,0,0,0,0|3,0,0]=4 9045 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,1,0,0,0,0|3,0,0]=4 9046 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,1,0,0,0,0|3,0,0]=4 9047 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,1,0,0,0,0|2,0,0]=3 9048 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,1,0,0,0,0|1,0,0]=2 9049 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,1,0,0,0,0|2,0,0]=3 9050 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,1,0,0,0,0|1,0,0]=2 9051 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [0,1,0,0,0,0|2,0,0]=3 9052 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,1,0,0,0,0|2,0,0]=3 9053 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,1,0,0,0,0|1,0,0]=2 9054 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,1,0,0,0,0|1,0,0]=2 9055 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,1,0,0,0,0|1,0,0]=2 9056 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,1,0,0,0,0|2,0,0]=3 9057 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,1,0,0,0,0|2,0,0]=3 9058 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,1,0,0,0,0|2,0,0]=3 9059 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,1,0,0,0,0|2,0,0]=3 9060 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,1,0,0,0,0|2,0,0]=3 9061 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,1,0,0,0,0|2,0,0]=3 9062 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,1,0,0,0,0|2,0,0]=3 9063 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009813376_100009817552 [0,1,0,0,0,0|2,0,1]=4 9064 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009817552_100009813376 [0,1,0,0,0,0|2,0,1]=4 9065 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,1,0,0,0,0|1,0,2]=4 9066 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,1,0,0,0,0|1,0,2]=4 9067 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,1,0,0,0,0|2,0,0]=3 9068 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,1,0,0,0,0|2,0,0]=3 9069 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,1,0,0,0,0|1,0,0]=2 9070 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,1,0,0,0,0|1,0,0]=2 9071 B11R0.148 FC(F)COCCCCCCBr 34a_100011215345_100011934356 [0,1,0,0,0,0|3,0,0]=4 9072 B11R0.148 FC(F)COCCCCCCBr 7a_100011215345_100011934356 [0,1,0,0,0,0|3,0,0]=4 9073 B11R0.148 FC(F)COCCCCCCCl 34a_100000766143_100011934356 [0,1,0,0,0,0|3,0,0]=4 9074 B11R0.148 FC(F)COCCCCCCCl 7a_100000766143_100011934356 [0,1,0,0,0,0|3,0,0]=4 9075 B11R0.148 FCCCCCCNCC(F)F 34a_100000765723_100015922095 [0,1,0,0,0,0|3,0,0]=4 9076 B11R0.148 FCCCCCCOCC(F)F 34a_100000732779_100011934356 [0,1,0,0,0,0|3,0,0]=4 9077 B11R0.148 FCCCCCCOCC(F)F 34a_100000743014_100015922095 [0,1,0,0,0,0|3,0,0]=4 9078 B11R0.148 FCCCCCCOCC(F)F 7a_100000732779_100011934356 [0,1,0,0,0,0|3,0,0]=4 9079 B11R0.148 FCCCCCCSCC(F)F 62a_100011934356_100015922095 [0,1,0,0,0,0|3,0,0]=4 9080 B11R0.148 FCCCCCCSCC(F)F 62a_100015922095_100011934356 [0,1,0,0,0,0|3,0,0]=4 9081 B11R0.148 FCCCCCOCCC(F)F 34a_100103093639_100000729378 [0,1,0,0,0,0|3,0,0]=4 9082 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,1,0,0,0,0|2,0,1]=4 9083 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,1,0,0,0,0|2,0,1]=4 9084 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,1,0,0,0,0|2,0,1]=4 9085 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,1,0,0,0,0|2,0,1]=4 9086 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,1,0,0,0,0|2,0,1]=4 9087 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,1,0,0,0,0|2,0,1]=4 9088 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,1,0,0,0,0|2,0,1]=4 9089 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,1,0,0,0,0|2,0,1]=4 9090 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,1,0,0,0,0|2,0,1]=4 9091 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,1,0,0,0,0|2,0,1]=4 9092 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,1,0,0,0,0|2,0,1]=4 9093 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,1,0,0,0,0|2,0,1]=4 9094 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,1,0,0,0,0|2,0,1]=4 9095 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,1,0,0,0,0|2,0,1]=4 9096 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,1,0,0,0,0|2,0,1]=4 9097 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,1,0,0,0,0|2,0,1]=4 9098 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,1,0,0,0,0|2,0,1]=4 9099 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,1,0,0,0,0|2,0,1]=4 9100 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,1,0,0,0,0|2,0,1]=4 9101 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,1,0,0,0,0|2,0,1]=4 9102 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,1,0,0,0,0|2,0,1]=4 9103 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,1]=4 9104 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,1,0,0,0,0|2,0,1]=4 9105 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,1,0,0,0,0|2,0,1]=4 9106 B11R0.148 NCCCCCCOCC(F)F 34a_100000686447_100011934356 [0,1,0,0,0,0|3,0,0]=4 9107 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,1,0,0,0,0|3,0,0]=4 9108 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,1,0,0,0,0|3,0,0]=4 9109 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,1,0,0,0,0|2,0,1]=4 9110 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,1,0,0,0,0|2,0,1]=4 9111 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,1,0,0,0,0|2,0,1]=4 9112 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,1]=4 9113 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,0,0,0,0|2,0,1]=4 9114 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,0,0,0,0|2,0,1]=4 9115 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,1,0,0,0,0|3,0,0]=4 9116 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,1,0,0,0,0|3,0,0]=4 9117 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,1,0,0,0,0|3,0,0]=4 9118 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,1,0,0,0,0|3,0,0]=4 9119 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,1,0,0,0,0|3,0,0]=4 9120 B11R0.148 OB(O)CCCCCCSCF 62a_100009817187_100015361967 [0,1,0,0,0,0|3,0,0]=4 9121 B11R0.148 OB(O)CCCCCCSCF 62a_100015361967_100009817187 [0,1,0,0,0,0|3,0,0]=4 9122 B11R0.148 OB(O)CCCCCNCCF 34a_100000724931_200009817188 [0,1,0,0,0,0|3,0,0]=4 9123 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,1,0,0,0,0|3,0,0]=4 9124 B11R0.148 OB(O)CCCCCSCCF 62a_100011217306_200009817188 [0,1,0,0,0,0|3,0,0]=4 9125 B11R0.148 OB(O)CCCCCSCCF 62a_200009817188_100011217306 [0,1,0,0,0,0|3,0,0]=4 9126 B11R0.148 OB(O)CCCCNCCCF 2230a_100015189416_200009817182 [0,1,0,0,0,0|3,0,0]=4 9127 B11R0.148 OB(O)CCCCNCCCF 34a_100015189416_200009817182 [0,1,0,0,0,0|3,0,0]=4 9128 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,1,0,0,0,0|3,0,0]=4 9129 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,1,0,0,0,0|3,0,0]=4 9130 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,1,0,0,0,0|3,0,0]=4 9131 B11R0.148 OB(O)CCCCSCCCF 62a_100011934791_200009817182 [0,1,0,0,0,0|3,0,0]=4 9132 B11R0.148 OB(O)CCCCSCCCF 62a_200009817182_100011934791 [0,1,0,0,0,0|3,0,0]=4 9133 B11R0.148 OCCCCCCNCC(F)F 2230a_100000686447_100011934356 [0,1,0,0,0,0|2,0,0]=3 9134 B11R0.148 OCCCCCCNCC(F)F 34a_100000686447_100011934356 [0,1,0,0,0,0|2,0,0]=3 9135 B11R0.148 OCCCCCCNCC(F)F 34a_100000765723_100000766143 [0,1,0,0,0,0|2,0,0]=3 9136 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [0,1,0,0,0,0|2,0,0]=3 9137 B11R0.148 OCCCCCCSCC(F)F 62a_100000766143_100011934356 [0,1,0,0,0,0|2,0,0]=3 9138 B11R0.148 OCCCCCCSCC(F)F 62a_100011934356_100000766143 [0,1,0,0,0,0|2,0,0]=3 9139 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [0,1,0,0,0,0|2,0,0]=3 9140 B11R0.148 OCCCOCCOCC(F)F 34a_100000704375_100000230001 [0,1,0,0,0,0|3,0,0]=4 9141 B11R0.148 OCCCOCCOCC(F)F 7a_100000704375_100011215043 [0,1,0,0,0,0|3,0,0]=4 9142 B11R0.148 OCCCSCCCCB(O)O 62a_100011215043_200009817182 [0,1,0,0,0,0|3,0,0]=4 9143 B11R0.148 OCCCSCCCCB(O)O 62a_200009817182_100011215043 [0,1,0,0,0,0|3,0,0]=4 9144 B11R0.148 OCCCSCCOCC(F)F 62a_100011215043_200012177212 [0,1,0,0,0,0|3,0,0]=4 9145 B11R0.148 OCCCSCCOCC(F)F 62a_200012177212_100011215043 [0,1,0,0,0,0|3,0,0]=4 9146 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,1,0,0,0,0|3,0,0]=4 9147 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,1,0,0,0,0|3,0,0]=4 9148 B11R0.148 OCCOCCOCCC(F)F 34a_100103093639_100000692535 [0,1,0,0,0,0|3,0,0]=4 9149 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,1,0,0,0,0|3,0,0]=4 9150 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,1,0,0,0,0|3,0,0]=4 9151 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,1,0,0,0,0|2,0,1]=4 9152 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [0,0,0,1,0,0|2,0,0]=3 9153 B11R1.4 BrCCCCOC1CCOC1 34a_100011216708_100000690089 [0,0,0,1,0,0|3,0,0]=4 9154 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [0,0,0,1,0,0|2,0,0]=3 9155 B11R1.4 BrCCCOCC1CCOC1 34a_100011217188_100011261433 [0,0,0,1,0,0|3,0,0]=4 9156 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [0,0,0,1,0,0|3,0,0]=4 9157 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [0,0,0,1,0,0|2,0,0]=3 9158 B11R1.4 BrCCOCCC1OCCO1 34a_100000211926_100000740749 [0,0,0,1,0,0|3,0,0]=4 9159 B11R1.4 C#CCCCCN1CCCC1 2230a_100000188435_100010269958 [0,0,0,1,0,0|2,0,1]=4 9160 B11R1.4 C#CCCCCN1CCCC1 269982a_100000188435_100010269958 [0,0,0,1,0,0|2,0,1]=4 9161 B11R1.4 C#CCCCNC1CCCC1 2230a_100000211070_100000731252 [0,0,0,1,0,0|2,0,1]=4 9162 B11R1.4 C#CCCCNC1CCCC1 270004a_100000718082_100000210133 [0,0,0,1,0,0|2,0,1]=4 9163 B11R1.4 C#CCCCNC1CCCC1 34a_100000211070_100000695029 [0,0,0,1,0,0|2,0,1]=4 9164 B11R1.4 C#CCCCNC1CCCC1 34a_100000718082_100000179811 [0,0,0,1,0,0|2,0,1]=4 9165 B11R1.4 C#CCCCOC1CCCC1 34a_100000210269_100000695029 [0,0,0,1,0,0|2,0,1]=4 9166 B11R1.4 C#CCCCOC1CCCC1 34a_100000215630_100000179811 [0,0,0,1,0,0|2,0,1]=4 9167 B11R1.4 C#CCCCOC1CCCC1 7a_100000210269_100011215417 [0,0,0,1,0,0|2,0,1]=4 9168 B11R1.4 C#CCCCOC1CCCC1 7a_100000215630_100000179811 [0,0,0,1,0,0|2,0,1]=4 9169 B11R1.4 C#CCCCOC1CCCO1 34a_100000085407_100000695029 [0,0,0,1,0,0|1,0,2]=4 9170 B11R1.4 C#CCCCSC1CCCC1 62a_100011215417_100000179811 [0,0,0,1,0,0|2,0,1]=4 9171 B11R1.4 C#CCCCSC1CCCC1 62a_100011217020_100011215417 [0,0,0,1,0,0|2,0,1]=4 9172 B11R1.4 C#CCCNCC1CCCC1 2230a_100000737975_100000688953 [0,0,0,1,0,0|2,0,1]=4 9173 B11R1.4 C#CCCNCC1CCCC1 34a_100000737975_100000688953 [0,0,0,1,0,0|2,0,1]=4 9174 B11R1.4 C#CCCNCC1CCCC1 34a_100000755551_100000740388 [0,0,0,1,0,0|2,0,1]=4 9175 B11R1.4 C#CCCNC[C@@H]1CCCO1 2230a_100020590478_100000688953 [0,0,0,1,0,0|1,0,2]=4 9176 B11R1.4 C#CCCNC[C@@H]1CCCO1 34a_100020590478_100000688953 [0,0,0,1,0,0|1,0,2]=4 9177 B11R1.4 C#CCCOCC1CCCC1 34a_100000742336_100000688953 [0,0,0,1,0,0|2,0,1]=4 9178 B11R1.4 C#CCCOCC1CCCC1 34a_100011215631_100000740388 [0,0,0,1,0,0|2,0,1]=4 9179 B11R1.4 C#CCCOCC1CCCC1 7a_100000742336_100000688953 [0,0,0,1,0,0|2,0,1]=4 9180 B11R1.4 C#CCCOCC1CCCO1 34a_100000210270_100000688953 [0,0,0,1,0,0|1,0,2]=4 9181 B11R1.4 C#CCCOCC1CCCO1 7a_100000210270_100000688953 [0,0,0,1,0,0|1,0,2]=4 9182 B11R1.4 C#CCCSCC1CCCC1 62a_100000688953_100000740388 [0,0,0,1,0,0|2,0,1]=4 9183 B11R1.4 C#CCCSCC1CCCC1 62a_100000740388_100000688953 [0,0,0,1,0,0|2,0,1]=4 9184 B11R1.4 C#CCCSCC1CCCO1 62a_100000203698_100000688953 [0,0,0,1,0,0|1,0,2]=4 9185 B11R1.4 C#CCCSCC1CCCO1 62a_100000688953_100000203698 [0,0,0,1,0,0|1,0,2]=4 9186 B11R1.4 C#CCNCCC1CCCC1 2230a_100000739158_100000038162 [0,0,0,1,0,0|2,0,1]=4 9187 B11R1.4 C#CCNCCC1CCCC1 34a_100000212058_100000760354 [0,0,0,1,0,0|2,0,1]=4 9188 B11R1.4 C#CCNCCC1CCCC1 34a_100000739158_100000184674 [0,0,0,1,0,0|2,0,1]=4 9189 B11R1.4 C#CCOCCC1CCCC1 34a_100000210247_100000760354 [0,0,0,1,0,0|2,0,1]=4 9190 B11R1.4 C#CCOCCC1CCCC1 34a_100000749090_100000184674 [0,0,0,1,0,0|2,0,1]=4 9191 B11R1.4 C#CCOCCC1CCCC1 7a_100000749090_100000038162 [0,0,0,1,0,0|2,0,1]=4 9192 B11R1.4 C#CCSCCC1CCCC1 62a_100000038162_100000760354 [0,0,0,1,0,0|2,0,1]=4 9193 B11R1.4 C/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100102629194 [0,0,0,1,0,0|1,0,2]=4 9194 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [0,0,0,1,0,0|1,0,2]=4 9195 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [0,0,0,1,0,0|1,0,2]=4 9196 B11R1.4 C/C=C/CSCC1CCCO1 62a_100000203698_100102629194 [0,0,0,1,0,0|1,0,2]=4 9197 B11R1.4 C/C=C/CSCC1CCCO1 62a_100102629194_100000203698 [0,0,0,1,0,0|1,0,2]=4 9198 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [0,0,0,1,0,0|2,0,1]=4 9199 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [0,0,0,1,0,0|2,0,1]=4 9200 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [0,0,0,1,0,0|2,0,1]=4 9201 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [0,0,0,1,0,0|2,0,1]=4 9202 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [0,0,0,1,0,0|2,0,1]=4 9203 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [0,0,0,1,0,0|2,0,1]=4 9204 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [0,0,0,1,0,0|2,0,1]=4 9205 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [0,0,0,1,0,0|2,0,1]=4 9206 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [0,0,0,1,0,0|2,0,1]=4 9207 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [0,0,0,1,0,0|2,0,1]=4 9208 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [0,0,0,1,0,0|2,0,1]=4 9209 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [0,0,0,1,0,0|1,0,2]=4 9210 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [0,0,0,1,0,0|2,0,1]=4 9211 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [0,0,0,1,0,0|2,0,1]=4 9212 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [0,0,0,1,0,0|2,0,1]=4 9213 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [0,0,0,1,0,0|2,0,1]=4 9214 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [0,0,0,1,0,0|2,0,1]=4 9215 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [0,0,0,1,0,0|2,0,1]=4 9216 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [0,0,0,1,0,0|1,0,2]=4 9217 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [0,0,0,1,0,0|1,0,2]=4 9218 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [0,0,0,1,0,0|1,0,2]=4 9219 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [0,0,0,1,0,0|2,0,1]=4 9220 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [0,0,0,1,0,0|2,0,1]=4 9221 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [0,0,0,1,0,0|2,0,1]=4 9222 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,0,0,1,0,0|1,0,2]=4 9223 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,0,0,1,0,0|1,0,2]=4 9224 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [0,0,0,1,0,0|2,0,1]=4 9225 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [0,0,0,1,0,0|2,0,1]=4 9226 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [0,0,0,1,0,0|1,0,2]=4 9227 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [0,0,0,1,0,0|1,0,2]=4 9228 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [0,0,0,1,0,0|2,0,1]=4 9229 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [0,0,0,1,0,0|2,0,1]=4 9230 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [0,0,0,1,0,0|2,0,1]=4 9231 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [0,0,0,1,0,0|2,0,1]=4 9232 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [0,0,0,1,0,0|2,0,1]=4 9233 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [0,0,0,1,0,0|2,0,1]=4 9234 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [0,0,0,1,0,0|2,0,1]=4 9235 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [0,0,0,1,0,0|2,0,1]=4 9236 B11R1.4 CC#CCNCC1CCCO1 2230a_100000685387_100000203698 [0,0,0,1,0,0|1,0,2]=4 9237 B11R1.4 CC#CCNC[C@@H]1CCCO1 2230a_100020590478_100000748600 [0,0,0,1,0,0|1,0,2]=4 9238 B11R1.4 CC#CCNC[C@@H]1CCCO1 34a_100020590478_100000748600 [0,0,0,1,0,0|1,0,2]=4 9239 B11R1.4 CC#CCOCC1CCCO1 34a_100000210270_100000748600 [0,0,0,1,0,0|1,0,2]=4 9240 B11R1.4 CC#CCOCC1CCCO1 7a_100000210270_100000748600 [0,0,0,1,0,0|1,0,2]=4 9241 B11R1.4 CC#CCSCC1CCCO1 62a_100000203698_100000748600 [0,0,0,1,0,0|1,0,2]=4 9242 B11R1.4 CC#CCSCC1CCCO1 62a_100000748600_100000203698 [0,0,0,1,0,0|1,0,2]=4 9243 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [0,0,0,1,0,0|1,0,2]=4 9244 B11R1.4 CC=CCNC[C@@H]1CCCO1 2230a_100020590478_100000070051 [0,0,0,1,0,0|1,0,2]=4 9245 B11R1.4 CC=CCNC[C@@H]1CCCO1 34a_100020590478_100000070051 [0,0,0,1,0,0|1,0,2]=4 9246 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [0,0,0,1,0,0|1,0,2]=4 9247 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [0,0,0,1,0,0|1,0,2]=4 9248 B11R1.4 CC=CCSCC1CCCO1 62a_100000070051_100000203698 [0,0,0,1,0,0|1,0,2]=4 9249 B11R1.4 CC=CCSCC1CCCO1 62a_100000203698_100000070051 [0,0,0,1,0,0|1,0,2]=4 9250 B11R1.4 CCC#CCOC1CCCO1 34a_100000085407_100009813939 [0,0,0,1,0,0|1,0,2]=4 9251 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,0,0,1,0,0|2,0,0]=3 9252 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,0,0,1,0,0|2,0,0]=3 9253 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [0,0,0,1,0,0|3,0,0]=4 9254 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [0,0,0,1,0,0|3,0,0]=4 9255 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [0,0,0,1,0,0|2,0,0]=3 9256 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [0,0,0,1,0,0|2,0,0]=3 9257 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [0,0,0,1,0,0|2,0,0]=3 9258 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [0,0,0,1,0,0|2,0,0]=3 9259 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,0,0,1,0,0|3,0,0]=4 9260 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,0,0,1,0,0|3,0,0]=4 9261 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [0,0,0,1,0,0|3,0,0]=4 9262 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,0,0,1,0,0|3,0,0]=4 9263 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,0,0,1,0,0|3,0,0]=4 9264 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,0,0,1,0,0|3,0,0]=4 9265 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,0,0,1,0,0|2,0,0]=3 9266 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,0,0,1,0,0|2,0,0]=3 9267 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,0,0,1,0,0|2,0,0]=3 9268 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,0,0,1,0,0|2,0,0]=3 9269 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,0,0,1,0,0|1,0,0]=2 9270 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,0,0,1,0,0|3,0,0]=4 9271 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,0,0,1,0,0|3,0,0]=4 9272 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [0,0,0,1,0,0|3,0,0]=4 9273 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,0,0,1,0,0|3,0,0]=4 9274 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [0,0,0,1,0,0|2,0,0]=3 9275 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [0,0,0,1,0,0|2,0,0]=3 9276 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,0,0,1,0,0|3,0,0]=4 9277 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [0,0,0,1,0,0|2,0,0]=3 9278 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [0,0,0,1,0,0|2,0,0]=3 9279 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [0,0,0,1,0,0|2,0,0]=3 9280 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [0,0,0,1,0,0|2,0,0]=3 9281 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [0,0,0,1,0,0|2,0,0]=3 9282 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,0,0,1,0,0|1,0,0]=2 9283 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,0,0,1,0,0|1,0,0]=2 9284 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [0,0,0,1,0,0|3,0,0]=4 9285 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [0,0,0,1,0,0|3,0,0]=4 9286 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [0,0,0,1,0,0|3,0,0]=4 9287 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [0,0,0,1,0,0|3,0,0]=4 9288 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,0,0,1,0,0|2,0,0]=3 9289 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,0,0,1,0,0|2,0,0]=3 9290 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,0,0,1,0,0|2,0,0]=3 9291 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,0,0,1,0,0|2,0,0]=3 9292 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,0,0,1,0,0|1,0,0]=2 9293 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,0,0,1,0,0|1,0,0]=2 9294 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [0,0,0,1,0,0|2,0,0]=3 9295 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [0,0,0,1,0,0|2,0,0]=3 9296 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [0,0,0,1,0,0|2,0,0]=3 9297 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [0,0,0,1,0,0|2,0,0]=3 9298 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,0,0,1,0,0|1,0,0]=2 9299 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,0,0,1,0,0|1,0,0]=2 9300 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,0,0,1,0,0|1,0,0]=2 9301 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [0,0,0,1,0,0|3,0,0]=4 9302 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [0,0,0,1,0,0|3,0,0]=4 9303 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [0,0,0,1,0,0|3,0,0]=4 9304 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [0,0,0,1,0,0|3,0,0]=4 9305 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [0,0,0,1,0,0|2,0,0]=3 9306 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,0,0,1,0,0|2,0,0]=3 9307 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,0,0,1,0,0|2,0,0]=3 9308 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,0,0,1,0,0|2,0,0]=3 9309 B11R1.4 CCCCOCN1CCCC1 2230a_100000188435_100011995733 [0,0,0,1,0,0|3,0,0]=4 9310 B11R1.4 CCCCOCN1CCCC1 269982a_100000188435_100011995733 [0,0,0,1,0,0|3,0,0]=4 9311 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [0,0,0,1,0,0|2,0,0]=3 9312 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [0,0,0,1,0,0|2,0,0]=3 9313 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [0,0,0,1,0,0|2,0,0]=3 9314 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,0,0,1,0,0|1,0,0]=2 9315 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,0,0,1,0,0|1,0,0]=2 9316 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [0,0,0,1,0,0|3,0,0]=4 9317 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [0,0,0,1,0,0|3,0,0]=4 9318 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,0,0,1,0,0|2,0,0]=3 9319 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,0,0,1,0,0|2,0,0]=3 9320 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [0,0,0,1,0,0|2,0,0]=3 9321 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [0,0,0,1,0,0|2,0,0]=3 9322 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,0,0,1,0,0|2,0,0]=3 9323 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,0,0,1,0,0|2,0,0]=3 9324 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [0,0,0,1,0,0|2,0,0]=3 9325 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [0,0,0,1,0,0|2,0,0]=3 9326 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [0,0,0,1,0,0|2,0,0]=3 9327 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [0,0,0,1,0,0|3,0,0]=4 9328 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,0,0,1,0,0|3,0,0]=4 9329 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,0,0,1,0,0|2,0,0]=3 9330 B11R1.4 CCCOCCN1CCCC1 2230a_100000188435_100011215938 [0,0,0,1,0,0|3,0,0]=4 9331 B11R1.4 CCCOCCN1CCCC1 269982a_100000188435_100011215938 [0,0,0,1,0,0|3,0,0]=4 9332 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [0,0,0,1,0,0|2,0,0]=3 9333 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [0,0,0,1,0,0|2,0,0]=3 9334 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,0,0,1,0,0|2,0,0]=3 9335 B11R1.4 CCCSCCN1CCCC1 62a_100000210303_100000004467 [0,0,0,1,0,0|3,0,0]=4 9336 B11R1.4 CCCSCCN1CCCC1 62a_100000700749_100000210303 [0,0,0,1,0,0|3,0,0]=4 9337 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [0,0,0,1,0,0|2,0,0]=3 9338 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [0,0,0,1,0,0|2,0,0]=3 9339 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [0,0,0,1,0,0|2,0,0]=3 9340 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,0,0,1,0,0|2,0,0]=3 9341 B11R1.4 CCNCCCN1CCCC1 2230a_100015525214_100011445909 [0,0,0,1,0,0|3,0,0]=4 9342 B11R1.4 CCNCCOC1CCCC1 34a_100000741755_100000210202 [0,0,0,1,0,0|3,0,0]=4 9343 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [0,0,0,1,0,0|2,0,0]=3 9344 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [0,0,0,1,0,0|2,0,0]=3 9345 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [0,0,0,1,0,0|2,0,0]=3 9346 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,0,0,1,0,0|2,0,0]=3 9347 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,0,0,1,0,0|2,0,0]=3 9348 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,0,0,1,0,0|2,0,0]=3 9349 B11R1.4 CCOCCCN1CCCC1 2230a_100000188435_100012232248 [0,0,0,1,0,0|3,0,0]=4 9350 B11R1.4 CCOCCCN1CCCC1 269982a_100000188435_100012232248 [0,0,0,1,0,0|3,0,0]=4 9351 B11R1.4 CCOCCCN1CCCC1 34a_100121572206_100016991639 [0,0,0,1,0,0|3,0,0]=4 9352 B11R1.4 CCOCCNC1CCCC1 2230a_100000211070_100011215890 [0,0,0,1,0,0|3,0,0]=4 9353 B11R1.4 CCOCCNC1CCCC1 2230a_102516460346_100000179811 [0,0,0,1,0,0|3,0,0]=4 9354 B11R1.4 CCOCCNC1CCCC1 270004a_102516460346_100000210133 [0,0,0,1,0,0|3,0,0]=4 9355 B11R1.4 CCOCCNC1CCCC1 34a_100000211070_100000210147 [0,0,0,1,0,0|3,0,0]=4 9356 B11R1.4 CCOCCNC1CCCC1 34a_102516460346_100000179811 [0,0,0,1,0,0|3,0,0]=4 9357 B11R1.4 CCOCCNC1CCCC1 34a_200000200444_100000210202 [0,0,0,1,0,0|3,0,0]=4 9358 B11R1.4 CCOCCOC1CCCC1 34a_100000210136_100000179811 [0,0,0,1,0,0|3,0,0]=4 9359 B11R1.4 CCOCCOC1CCCC1 34a_100000210269_100000210147 [0,0,0,1,0,0|3,0,0]=4 9360 B11R1.4 CCOCCOC1CCCC1 34a_100000738311_100000210202 [0,0,0,1,0,0|3,0,0]=4 9361 B11R1.4 CCOCCOC1CCCC1 7a_100000210136_100000179811 [0,0,0,1,0,0|3,0,0]=4 9362 B11R1.4 CCOCCOC1CCCC1 7a_100000210269_100011215890 [0,0,0,1,0,0|3,0,0]=4 9363 B11R1.4 CCOCCOC1CCCC1 7a_100000738311_100000210202 [0,0,0,1,0,0|3,0,0]=4 9364 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [0,0,0,1,0,0|2,0,0]=3 9365 B11R1.4 CCOCCSC1CCCC1 62a_100000210147_100000179811 [0,0,0,1,0,0|3,0,0]=4 9366 B11R1.4 CCOCCSC1CCCC1 62a_100011217020_100011215890 [0,0,0,1,0,0|3,0,0]=4 9367 B11R1.4 CCOCSCC1CCCC1 62a_100000739092_100000740388 [0,0,0,1,0,0|3,0,0]=4 9368 B11R1.4 CCOCSCC1CCCC1 62a_100000740388_100000739092 [0,0,0,1,0,0|3,0,0]=4 9369 B11R1.4 CCOCSCC1CCCO1 62a_100000203698_100000739092 [0,0,0,1,0,0|2,0,0]=3 9370 B11R1.4 CCOCSCC1CCCO1 62a_100000739092_100000203698 [0,0,0,1,0,0|2,0,0]=3 9371 B11R1.4 CCOCSCC1OCCO1 62a_100000739092_100000755774 [0,0,0,1,0,0|3,0,0]=4 9372 B11R1.4 CCOCSCC1OCCO1 62a_100000755774_100000739092 [0,0,0,1,0,0|3,0,0]=4 9373 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [0,0,0,1,0,0|2,0,0]=3 9374 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [0,0,0,1,0,0|2,0,0]=3 9375 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,0,0,1,0,0|2,0,0]=3 9376 B11R1.4 CCSCCCN1CCCC1 62a_100000210202_100011445909 [0,0,0,1,0,0|3,0,0]=4 9377 B11R1.4 CCSCCCN1CCCC1 62a_100016991639_100000210202 [0,0,0,1,0,0|3,0,0]=4 9378 B11R1.4 CCSCCNC1CCCC1 2230a_100000106463_100000179811 [0,0,0,1,0,0|3,0,0]=4 9379 B11R1.4 CCSCCNC1CCCC1 2230a_100000211070_100000757381 [0,0,0,1,0,0|3,0,0]=4 9380 B11R1.4 CCSCCNC1CCCC1 270004a_100000106463_100000210133 [0,0,0,1,0,0|3,0,0]=4 9381 B11R1.4 CCSCCNC1CCCC1 34a_100000211070_100000757381 [0,0,0,1,0,0|3,0,0]=4 9382 B11R1.4 CCSCCOC1CCCC1 34a_100000210269_100000757381 [0,0,0,1,0,0|3,0,0]=4 9383 B11R1.4 CCSCCOC1CCCC1 34a_100000212035_100000179811 [0,0,0,1,0,0|3,0,0]=4 9384 B11R1.4 CCSCCOC1CCCC1 7a_100000210269_100000757381 [0,0,0,1,0,0|3,0,0]=4 9385 B11R1.4 CCSCCOC1CCCC1 7a_100000212035_100000179811 [0,0,0,1,0,0|3,0,0]=4 9386 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [0,0,0,1,0,0|2,0,0]=3 9387 B11R1.4 CCSCCSC1CCCC1 62a_100000757381_100000179811 [0,0,0,1,0,0|3,0,0]=4 9388 B11R1.4 CCSCCSC1CCCC1 62a_100011217020_100000757381 [0,0,0,1,0,0|3,0,0]=4 9389 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,0,0,1,0,0|2,0,0]=3 9390 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,0,0,1,0,0|2,0,0]=3 9391 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,0,0,1,0,0|2,0,0]=3 9392 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [0,0,0,1,0,0|3,0,0]=4 9393 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [0,0,0,1,0,0|3,0,0]=4 9394 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,0,0,1,0,0|2,0,0]=3 9395 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [0,0,0,1,0,0|3,0,0]=4 9396 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [0,0,0,1,0,0|3,0,0]=4 9397 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [0,0,0,1,0,0|3,0,0]=4 9398 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [0,0,0,1,0,0|3,0,0]=4 9399 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [0,0,0,1,0,0|3,0,0]=4 9400 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [0,0,0,1,0,0|3,0,0]=4 9401 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,0,0,1,0,0|3,0,0]=4 9402 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,0,0,1,0,0|3,0,0]=4 9403 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,0,0,1,0,0|3,0,0]=4 9404 B11R1.4 COCCCOC1CCCO1 34a_100000085407_100000740836 [0,0,0,1,0,0|2,0,0]=3 9405 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [0,0,0,1,0,0|3,0,0]=4 9406 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [0,0,0,1,0,0|3,0,0]=4 9407 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [0,0,0,1,0,0|3,0,0]=4 9408 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [0,0,0,1,0,0|3,0,0]=4 9409 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [0,0,0,1,0,0|3,0,0]=4 9410 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [0,0,0,1,0,0|3,0,0]=4 9411 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [0,0,0,1,0,0|2,0,0]=3 9412 B11R1.4 COCCNCC1OCCO1 2230a_100000036311_100011201679 [0,0,0,1,0,0|3,0,0]=4 9413 B11R1.4 COCCNCC1OCCO1 2230a_100000209980_100000755774 [0,0,0,1,0,0|3,0,0]=4 9414 B11R1.4 COCCNCC1OCCO1 34a_100000036311_100011201679 [0,0,0,1,0,0|3,0,0]=4 9415 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [0,0,0,1,0,0|2,0,0]=3 9416 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [0,0,0,1,0,0|2,0,0]=3 9417 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,0,0,1,0,0|3,0,0]=4 9418 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,0,0,1,0,0|3,0,0]=4 9419 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,0,0,1,0,0|3,0,0]=4 9420 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [0,0,0,1,0,0|2,0,0]=3 9421 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [0,0,0,1,0,0|2,0,0]=3 9422 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [0,0,0,1,0,0|3,0,0]=4 9423 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [0,0,0,1,0,0|3,0,0]=4 9424 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [0,0,0,1,0,0|3,0,0]=4 9425 B11R1.4 COCCOC[C@H]1CCCN1 34a_100000745186_100011201679 [0,0,0,1,0,0|3,0,0]=4 9426 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [0,0,0,1,0,0|3,0,0]=4 9427 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [0,0,0,1,0,0|3,0,0]=4 9428 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [0,0,0,1,0,0|2,0,0]=3 9429 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [0,0,0,1,0,0|2,0,0]=3 9430 B11R1.4 COCCSCC1OCCO1 62a_100000233755_100000755774 [0,0,0,1,0,0|3,0,0]=4 9431 B11R1.4 COCCSCC1OCCO1 62a_100000755774_100000233755 [0,0,0,1,0,0|3,0,0]=4 9432 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [0,0,0,1,0,0|3,0,0]=4 9433 B11R1.4 COCNCCC1OCCO1 2230a_100000034215_100000766300 [0,0,0,1,0,0|3,0,0]=4 9434 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [0,0,0,1,0,0|3,0,0]=4 9435 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [0,0,0,1,0,0|3,0,0]=4 9436 B11R1.4 COCSCCC1OCCO1 62a_100000766300_100000740749 [0,0,0,1,0,0|3,0,0]=4 9437 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,0,0,1,0,0|2,0,0]=3 9438 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [0,0,0,1,0,0|3,0,0]=4 9439 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [0,0,0,1,0,0|3,0,0]=4 9440 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [0,0,0,1,0,0|3,0,0]=4 9441 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [0,0,0,1,0,0|3,0,0]=4 9442 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [0,0,0,1,0,0|3,0,0]=4 9443 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [0,0,0,1,0,0|3,0,0]=4 9444 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [0,0,0,1,0,0|3,0,0]=4 9445 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [0,0,0,1,0,0|3,0,0]=4 9446 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [0,0,0,1,0,0|2,0,0]=3 9447 B11R1.4 CSCCNCC1OCCO1 2230a_100000036311_100000751147 [0,0,0,1,0,0|3,0,0]=4 9448 B11R1.4 CSCCNCC1OCCO1 2230a_100020590264_100000755774 [0,0,0,1,0,0|3,0,0]=4 9449 B11R1.4 CSCCNCC1OCCO1 34a_100000036311_100000212216 [0,0,0,1,0,0|3,0,0]=4 9450 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [0,0,0,1,0,0|2,0,0]=3 9451 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [0,0,0,1,0,0|2,0,0]=3 9452 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [0,0,0,1,0,0|3,0,0]=4 9453 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [0,0,0,1,0,0|3,0,0]=4 9454 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [0,0,0,1,0,0|3,0,0]=4 9455 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [0,0,0,1,0,0|3,0,0]=4 9456 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [0,0,0,1,0,0|2,0,0]=3 9457 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [0,0,0,1,0,0|2,0,0]=3 9458 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [0,0,0,1,0,0|2,0,0]=3 9459 B11R1.4 CSCCOCC1COCO1 34a_100011216627_100000212216 [0,0,0,1,0,0|3,0,0]=4 9460 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [0,0,0,1,0,0|3,0,0]=4 9461 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [0,0,0,1,0,0|3,0,0]=4 9462 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [0,0,0,1,0,0|3,0,0]=4 9463 B11R1.4 CSCCOC[C@H]1CCCN1 34a_100000745186_100000212216 [0,0,0,1,0,0|3,0,0]=4 9464 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [0,0,0,1,0,0|3,0,0]=4 9465 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [0,0,0,1,0,0|3,0,0]=4 9466 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [0,0,0,1,0,0|2,0,0]=3 9467 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [0,0,0,1,0,0|2,0,0]=3 9468 B11R1.4 CSCCSCC1OCCO1 62a_100000212216_100000755774 [0,0,0,1,0,0|3,0,0]=4 9469 B11R1.4 CSCCSCC1OCCO1 62a_100000755774_100000751147 [0,0,0,1,0,0|3,0,0]=4 9470 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [0,0,0,1,0,0|3,0,0]=4 9471 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [0,0,0,1,0,0|3,0,0]=4 9472 B11R1.4 CSCNCCC1OCCO1 2230a_100000034215_100011218213 [0,0,0,1,0,0|3,0,0]=4 9473 B11R1.4 CSCNCCC1OCCO1 34a_100000034215_100011218213 [0,0,0,1,0,0|3,0,0]=4 9474 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [0,0,0,1,0,0|3,0,0]=4 9475 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [0,0,0,1,0,0|3,0,0]=4 9476 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [0,0,0,1,0,0|3,0,0]=4 9477 B11R1.4 CSCSCCC1OCCO1 62a_100011218213_100000740749 [0,0,0,1,0,0|3,0,0]=4 9478 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [0,0,0,1,0,0|2,0,0]=3 9479 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [0,0,0,1,0,0|2,0,0]=3 9480 B11R1.4 ClCCCCOC1CCOC1 34a_100000210776_100000690089 [0,0,0,1,0,0|3,0,0]=4 9481 B11R1.4 ClCCCCOC1CCOC1 7a_100000210776_100000731011 [0,0,0,1,0,0|3,0,0]=4 9482 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [0,0,0,1,0,0|2,0,0]=3 9483 B11R1.4 ClCCCOCC1CCOC1 34a_100000230001_100011261433 [0,0,0,1,0,0|3,0,0]=4 9484 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [0,0,0,1,0,0|3,0,0]=4 9485 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [0,0,0,1,0,0|2,0,0]=3 9486 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [0,0,0,1,0,0|2,0,0]=3 9487 B11R1.4 FCCCCCN1CCSC1 2230a_100011215254_100000729378 [0,0,0,1,0,0|3,0,0]=4 9488 B11R1.4 FCCCCCN1CCSC1 269982a_100011215254_100000729378 [0,0,0,1,0,0|3,0,0]=4 9489 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [0,0,0,1,0,0|2,0,0]=3 9490 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [0,0,0,1,0,0|2,0,0]=3 9491 B11R1.4 FCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729493 [0,0,0,1,0,0|3,0,0]=4 9492 B11R1.4 FCCCCN[C@H]1CCOC1 2230a_100015188467_100000729493 [0,0,0,1,0,0|3,0,0]=4 9493 B11R1.4 FCCCCN[C@H]1CCOC1 34a_100015188467_100000729493 [0,0,0,1,0,0|3,0,0]=4 9494 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [0,0,0,1,0,0|2,0,0]=3 9495 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [0,0,0,1,0,0|2,0,0]=3 9496 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [0,0,0,1,0,0|2,0,0]=3 9497 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [0,0,0,1,0,0|2,0,0]=3 9498 B11R1.4 FCCCCOC1CCCO1 34a_100000085407_100000729493 [0,0,0,1,0,0|2,0,0]=3 9499 B11R1.4 FCCCCOC1CCOC1 34a_100011995726_100000690089 [0,0,0,1,0,0|3,0,0]=4 9500 B11R1.4 FCCCCOC1CCOC1 7a_100011995726_100000731011 [0,0,0,1,0,0|3,0,0]=4 9501 B11R1.4 FCCCCOC1CCSC1 7a_100011232664_100000729493 [0,0,0,1,0,0|3,0,0]=4 9502 B11R1.4 FCCCCO[C@H]1CCOC1 34a_100000717292_100000729493 [0,0,0,1,0,0|3,0,0]=4 9503 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [0,0,0,1,0,0|2,0,0]=3 9504 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [0,0,0,1,0,0|2,0,0]=3 9505 B11R1.4 FCCCCSC1CCOC1 62a_100000729493_100000690089 [0,0,0,1,0,0|3,0,0]=4 9506 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [0,0,0,1,0,0|2,0,0]=3 9507 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [0,0,0,1,0,0|2,0,0]=3 9508 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [0,0,0,1,0,0|2,0,0]=3 9509 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [0,0,0,1,0,0|2,0,0]=3 9510 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [0,0,0,1,0,0|2,0,0]=3 9511 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [0,0,0,1,0,0|2,0,0]=3 9512 B11R1.4 FCCCNCC1CCOC1 2230a_100000737293_100011934791 [0,0,0,1,0,0|3,0,0]=4 9513 B11R1.4 FCCCNCC1CCOC1 2230a_100015189416_100000702531 [0,0,0,1,0,0|3,0,0]=4 9514 B11R1.4 FCCCNCC1CCOC1 34a_100000737293_100011934791 [0,0,0,1,0,0|3,0,0]=4 9515 B11R1.4 FCCCNCC1CCOC1 34a_100015189416_100011261433 [0,0,0,1,0,0|3,0,0]=4 9516 B11R1.4 FCCCNCC1OCCO1 2230a_100000036311_100011934791 [0,0,0,1,0,0|3,0,0]=4 9517 B11R1.4 FCCCNCC1OCCO1 2230a_100015189416_100000755774 [0,0,0,1,0,0|3,0,0]=4 9518 B11R1.4 FCCCNCC1OCCO1 34a_100000036311_100011934791 [0,0,0,1,0,0|3,0,0]=4 9519 B11R1.4 FCCCNCC1OCCO1 34a_100015189416_100000755774 [0,0,0,1,0,0|3,0,0]=4 9520 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [0,0,0,1,0,0|2,0,0]=3 9521 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [0,0,0,1,0,0|2,0,0]=3 9522 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [0,0,0,1,0,0|2,0,0]=3 9523 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [0,0,0,1,0,0|2,0,0]=3 9524 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [0,0,0,1,0,0|2,0,0]=3 9525 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [0,0,0,1,0,0|2,0,0]=3 9526 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [0,0,0,1,0,0|2,0,0]=3 9527 B11R1.4 FCCCOCC1CCNC1 34a_100000748654_100011934791 [0,0,0,1,0,0|3,0,0]=4 9528 B11R1.4 FCCCOCC1CCOC1 34a_100000740260_100011934791 [0,0,0,1,0,0|3,0,0]=4 9529 B11R1.4 FCCCOCC1CCOC1 34a_100000759539_100011261433 [0,0,0,1,0,0|3,0,0]=4 9530 B11R1.4 FCCCOCC1COCO1 34a_100011216627_100011934791 [0,0,0,1,0,0|3,0,0]=4 9531 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [0,0,0,1,0,0|3,0,0]=4 9532 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [0,0,0,1,0,0|3,0,0]=4 9533 B11R1.4 FCCCOC[C@H]1CCCN1 34a_100000745186_100011934791 [0,0,0,1,0,0|3,0,0]=4 9534 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [0,0,0,1,0,0|2,0,0]=3 9535 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [0,0,0,1,0,0|2,0,0]=3 9536 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [0,0,0,1,0,0|2,0,0]=3 9537 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [0,0,0,1,0,0|2,0,0]=3 9538 B11R1.4 FCCCSCC1CCOC1 62a_100000702531_100011934791 [0,0,0,1,0,0|3,0,0]=4 9539 B11R1.4 FCCCSCC1CCOC1 62a_100011934791_100000702531 [0,0,0,1,0,0|3,0,0]=4 9540 B11R1.4 FCCCSCC1OCCO1 62a_100000755774_100011934791 [0,0,0,1,0,0|3,0,0]=4 9541 B11R1.4 FCCCSCC1OCCO1 62a_100011934791_100000755774 [0,0,0,1,0,0|3,0,0]=4 9542 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [0,0,0,1,0,0|2,0,0]=3 9543 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [0,0,0,1,0,0|2,0,0]=3 9544 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [0,0,0,1,0,0|2,0,0]=3 9545 B11R1.4 FCCNCCC1OCCO1 2230a_100000034215_100011217306 [0,0,0,1,0,0|3,0,0]=4 9546 B11R1.4 FCCNCCC1OCCO1 34a_100000034215_100011217306 [0,0,0,1,0,0|3,0,0]=4 9547 B11R1.4 FCCNCCC1OCCO1 34a_100000724931_100000740749 [0,0,0,1,0,0|3,0,0]=4 9548 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [0,0,0,1,0,0|2,0,0]=3 9549 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [0,0,0,1,0,0|2,0,0]=3 9550 B11R1.4 FCCOCCC1CCNC1 34a_100016987287_100011217306 [0,0,0,1,0,0|3,0,0]=4 9551 B11R1.4 FCCOCCC1CCOC1 34a_100011879284_100011217306 [0,0,0,1,0,0|3,0,0]=4 9552 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [0,0,0,1,0,0|2,0,0]=3 9553 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [0,0,0,1,0,0|2,0,0]=3 9554 B11R1.4 FCCSCCC1OCCO1 62a_100011217306_100000740749 [0,0,0,1,0,0|3,0,0]=4 9555 B11R1.4 FCCSCCN1CCCC1 62a_100000700749_100011217306 [0,0,0,1,0,0|3,0,0]=4 9556 B11R1.4 FCCSCCN1CCCC1 62a_100011217306_100000004467 [0,0,0,1,0,0|3,0,0]=4 9557 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [0,0,0,1,0,0|2,0,0]=3 9558 B11R1.4 FCNCCOC1CCCC1 34a_100000741755_100015361967 [0,0,0,1,0,0|3,0,0]=4 9559 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [0,0,0,1,0,0|2,0,0]=3 9560 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [0,0,0,1,0,0|2,0,0]=3 9561 B11R1.4 FCOCCCC1OCCO1 34a_100009871617_100015361967 [0,0,0,1,0,0|3,0,0]=4 9562 B11R1.4 FCOCCCC1OCCO1 7a_100009871617_100015361967 [0,0,0,1,0,0|3,0,0]=4 9563 B11R1.4 FCOCCNC1CCCC1 34a_200000200444_100015361967 [0,0,0,1,0,0|3,0,0]=4 9564 B11R1.4 FCOCCOC1CCCC1 34a_100000738311_100015361967 [0,0,0,1,0,0|3,0,0]=4 9565 B11R1.4 FCOCCOC1CCCC1 7a_100000738311_100015361967 [0,0,0,1,0,0|3,0,0]=4 9566 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [0,0,0,1,0,0|2,0,0]=3 9567 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [0,0,0,1,0,0|2,0,0]=3 9568 B11R1.4 FCSCCCC1OCCO1 62a_100015361967_100000042513 [0,0,0,1,0,0|3,0,0]=4 9569 B11R1.4 FCSCCCN1CCCC1 62a_100015361967_100011445909 [0,0,0,1,0,0|3,0,0]=4 9570 B11R1.4 FCSCCCN1CCCC1 62a_100016991639_100015361967 [0,0,0,1,0,0|3,0,0]=4 9571 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [0,0,0,1,0,0|2,0,0]=3 9572 B11R1.4 ICCCCOC1CCOC1 34a_200012148704_100000690089 [0,0,0,1,0,0|3,0,0]=4 9573 B11R1.4 N#CCCCCN1CCCC1 2230a_100000188435_100000211819 [0,0,0,1,0,0|2,0,1]=4 9574 B11R1.4 N#CCCCCN1CCCC1 269982a_100000188435_100011219923 [0,0,0,1,0,0|2,0,1]=4 9575 B11R1.4 N#CCCCNC1CCCC1 2230a_100000211070_100000687738 [0,0,0,1,0,0|2,0,1]=4 9576 B11R1.4 N#CCCCOC1CCCC1 7a_100000210269_100000687738 [0,0,0,1,0,0|2,0,1]=4 9577 B11R1.4 N#CCCCSC1CCCC1 62a_100000687738_100000179811 [0,0,0,1,0,0|2,0,1]=4 9578 B11R1.4 N#CCCCSC1CCCC1 62a_100011217020_100000687738 [0,0,0,1,0,0|2,0,1]=4 9579 B11R1.4 N#CCCNCC1CCCC1 2230a_100000737975_100011215226 [0,0,0,1,0,0|2,0,1]=4 9580 B11R1.4 N#CCCNC[C@@H]1CCCO1 2230a_100020590478_100011215226 [0,0,0,1,0,0|2,0,1]=4 9581 B11R1.4 N#CCCOCC1CCCC1 7a_100000742336_100000184422 [0,0,0,1,0,0|2,0,1]=4 9582 B11R1.4 N#CCCOCC1CCCO1 7a_100000210270_100000184422 [0,0,0,1,0,0|2,0,1]=4 9583 B11R1.4 N#CCCSCC1CCCC1 62a_100000740388_100011215226 [0,0,0,1,0,0|2,0,1]=4 9584 B11R1.4 N#CCCSCC1CCCC1 62a_100011215226_100000740388 [0,0,0,1,0,0|2,0,1]=4 9585 B11R1.4 N#CCCSCC1CCCO1 62a_100000203698_100011215226 [0,0,0,1,0,0|2,0,1]=4 9586 B11R1.4 N#CCCSCC1CCCO1 62a_100011215226_100000203698 [0,0,0,1,0,0|2,0,1]=4 9587 B11R1.4 N#CCNCCC1CCCC1 2230a_100000739158_100011215382 [0,0,0,1,0,0|2,0,1]=4 9588 B11R1.4 N#CCOCCC1CCCC1 7a_100000749090_100011215382 [0,0,0,1,0,0|2,0,1]=4 9589 B11R1.4 N#CCSCCC1CCCC1 62a_100000760354_100011215382 [0,0,0,1,0,0|2,0,1]=4 9590 B11R1.4 N#CCSCCC1CCCC1 62a_100011215382_100000760354 [0,0,0,1,0,0|2,0,1]=4 9591 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [0,0,0,1,0,0|2,0,0]=3 9592 B11R1.4 NCCCCOC1CCOC1 34a_100000750430_100000690089 [0,0,0,1,0,0|3,0,0]=4 9593 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [0,0,0,1,0,0|2,0,0]=3 9594 B11R1.4 NCCCOCC1CCOC1 34a_100000182051_100011261433 [0,0,0,1,0,0|3,0,0]=4 9595 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [0,0,0,1,0,0|3,0,0]=4 9596 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [0,0,0,1,0,0|2,0,0]=3 9597 B11R1.4 NCCOCCC1OCCO1 34a_100000210304_100000740749 [0,0,0,1,0,0|3,0,0]=4 9598 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,0,0,1,0,0|3,0,0]=4 9599 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,0,0,1,0,0|1,0,2]=4 9600 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,0,0,1,0,0|1,0,2]=4 9601 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,0,0,1,0,0|1,0,2]=4 9602 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,0,0,1,0,0|1,0,2]=4 9603 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,0,0,1,0,0|1,0,2]=4 9604 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,0,0,1,0,0|1,0,2]=4 9605 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [0,0,0,1,0,0|1,0,2]=4 9606 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [0,0,0,1,0,0|1,0,2]=4 9607 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [0,0,0,1,0,0|1,0,2]=4 9608 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [0,0,0,1,0,0|1,0,2]=4 9609 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [0,0,0,1,0,0|1,0,2]=4 9610 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [0,0,0,1,0,0|1,0,2]=4 9611 B11R1.4 OCC#CCNC1CCCC1 2230a_100000211070_200000047223 [0,0,0,1,0,0|1,0,2]=4 9612 B11R1.4 OCC#CCNC1CCCC1 34a_100000211070_200000047223 [0,0,0,1,0,0|1,0,2]=4 9613 B11R1.4 OCC#CCOC1CCCC1 34a_100000210269_200000047223 [0,0,0,1,0,0|1,0,2]=4 9614 B11R1.4 OCC#CCOC1CCCC1 7a_100000210269_200000047223 [0,0,0,1,0,0|1,0,2]=4 9615 B11R1.4 OCC#CCSC1CCCC1 62a_100011217020_200000047223 [0,0,0,1,0,0|1,0,2]=4 9616 B11R1.4 OCC#CCSC1CCCC1 62a_200000047223_100000179811 [0,0,0,1,0,0|1,0,2]=4 9617 B11R1.4 OCCCCCN1CC=CC1 269982a_100015195280_100000746330 [0,0,0,1,0,0|1,0,2]=4 9618 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,0,0,1,0,0|1,0,0]=2 9619 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,0,0,1,0,0|1,0,0]=2 9620 B11R1.4 OCCCCCN1CCSC1 2230a_100011215254_100000746330 [0,0,0,1,0,0|2,0,0]=3 9621 B11R1.4 OCCCCCN1CCSC1 269982a_100011215254_100000746330 [0,0,0,1,0,0|2,0,0]=3 9622 B11R1.4 OCCCCNC1CC=CC1 2230a_100015188752_100000210776 [0,0,0,1,0,0|1,0,2]=4 9623 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,0,0,1,0,0|1,0,0]=2 9624 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,0,0,1,0,0|1,0,0]=2 9625 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,0,0,1,0,0|1,0,0]=2 9626 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,0,0,1,0,0|1,0,0]=2 9627 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,0,0,1,0,0|1,0,0]=2 9628 B11R1.4 OCCCCNC1CCOC1 2230a_100000750430_100000731011 [0,0,0,1,0,0|2,0,0]=3 9629 B11R1.4 OCCCCNC1CCOC1 270004a_100000750430_100000752484 [0,0,0,1,0,0|2,0,0]=3 9630 B11R1.4 OCCCCNC1CCOC1 34a_100000750430_100000690089 [0,0,0,1,0,0|2,0,0]=3 9631 B11R1.4 OCCCCNC1CCSC1 270004a_100000750430_100000212027 [0,0,0,1,0,0|2,0,0]=3 9632 B11R1.4 OCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210776 [0,0,0,1,0,0|2,0,0]=3 9633 B11R1.4 OCCCCN[C@H]1CCOC1 2230a_100015188467_100000210776 [0,0,0,1,0,0|2,0,0]=3 9634 B11R1.4 OCCCCN[C@H]1CCOC1 34a_100015188467_100011216708 [0,0,0,1,0,0|2,0,0]=3 9635 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,0,0,1,0,0|1,0,0]=2 9636 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,0,0,1,0,0|1,0,0]=2 9637 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [0,0,0,1,0,0|2,0,0]=3 9638 B11R1.4 OCCCCOC1CCSC1 7a_100011232664_100000210776 [0,0,0,1,0,0|2,0,0]=3 9639 B11R1.4 OCCCCO[C@H]1CCOC1 34a_100000717292_100011216708 [0,0,0,1,0,0|2,0,0]=3 9640 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,0,0,1,0,0|1,0,0]=2 9641 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,0,0,1,0,0|1,0,0]=2 9642 B11R1.4 OCCCCSC1CCOC1 62a_100000210776_100000690089 [0,0,0,1,0,0|2,0,0]=3 9643 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,0,0,1,0,0|1,0,0]=2 9644 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,0,0,1,0,0|1,0,0]=2 9645 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,0,0,1,0,0|1,0,0]=2 9646 B11R1.4 OCCCNCC1CCOC1 2230a_100000737293_100000230001 [0,0,0,1,0,0|2,0,0]=3 9647 B11R1.4 OCCCNCC1CCOC1 34a_100000737293_100000230001 [0,0,0,1,0,0|2,0,0]=3 9648 B11R1.4 OCCCNCC1OCCO1 2230a_100000036311_100000230001 [0,0,0,1,0,0|3,0,0]=4 9649 B11R1.4 OCCCNCC1OCCO1 34a_100000036311_100000230001 [0,0,0,1,0,0|3,0,0]=4 9650 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [0,0,0,1,0,0|2,0,0]=3 9651 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [0,0,0,1,0,0|2,0,0]=3 9652 B11R1.4 OCCCOCC1CC=CC1 34a_100000688395_100000230001 [0,0,0,1,0,0|1,0,2]=4 9653 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,0,0,1,0,0|1,0,0]=2 9654 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,0,0,1,0,0|1,0,0]=2 9655 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [0,0,0,1,0,0|2,0,0]=3 9656 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [0,0,0,1,0,0|2,0,0]=3 9657 B11R1.4 OCCCOCC1CCNC1 34a_100000748654_100000230001 [0,0,0,1,0,0|2,0,0]=3 9658 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [0,0,0,1,0,0|2,0,0]=3 9659 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [0,0,0,1,0,0|3,0,0]=4 9660 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [0,0,0,1,0,0|3,0,0]=4 9661 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [0,0,0,1,0,0|2,0,0]=3 9662 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,0,0,1,0,0|1,0,0]=2 9663 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,0,0,1,0,0|1,0,0]=2 9664 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [0,0,0,1,0,0|2,0,0]=3 9665 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [0,0,0,1,0,0|2,0,0]=3 9666 B11R1.4 OCCCSCC1CCOC1 62a_100000702531_100011215043 [0,0,0,1,0,0|2,0,0]=3 9667 B11R1.4 OCCCSCC1CCOC1 62a_100011215043_100000702531 [0,0,0,1,0,0|2,0,0]=3 9668 B11R1.4 OCCCSCC1OCCO1 62a_100000755774_100011215043 [0,0,0,1,0,0|3,0,0]=4 9669 B11R1.4 OCCCSCC1OCCO1 62a_100011215043_100000755774 [0,0,0,1,0,0|3,0,0]=4 9670 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,0,0,1,0,0|1,0,0]=2 9671 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,0,0,1,0,0|1,0,0]=2 9672 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,0,0,1,0,0|1,0,0]=2 9673 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,0,0,1,0,0|1,0,0]=2 9674 B11R1.4 OCCNCCC1OCCO1 2230a_100000034215_100000211926 [0,0,0,1,0,0|3,0,0]=4 9675 B11R1.4 OCCNCCC1OCCO1 2230a_100016997473_100000740749 [0,0,0,1,0,0|3,0,0]=4 9676 B11R1.4 OCCNCCC1OCCO1 34a_100000034215_100000211926 [0,0,0,1,0,0|3,0,0]=4 9677 B11R1.4 OCCNCCC1OCCO1 34a_100016990907_100000740749 [0,0,0,1,0,0|3,0,0]=4 9678 B11R1.4 OCCNN=CC1CCCC1 4a_100000210001_100000746403 [0,0,0,1,0,0|2,0,1]=4 9679 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,0,0,1,0,0|1,0,0]=2 9680 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,0,0,1,0,0|1,0,0]=2 9681 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [0,0,0,1,0,0|2,0,0]=3 9682 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [0,0,0,1,0,0|2,0,0]=3 9683 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [0,0,0,1,0,0|2,0,0]=3 9684 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [0,0,0,1,0,0|2,0,0]=3 9685 B11R1.4 OCCOCCN1CCSC1 2230a_100011215254_100011215305 [0,0,0,1,0,0|3,0,0]=4 9686 B11R1.4 OCCOCCN1CCSC1 269982a_100011215254_100011215305 [0,0,0,1,0,0|3,0,0]=4 9687 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,0,0,1,0,0|1,0,0]=2 9688 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,0,0,1,0,0|1,0,0]=2 9689 B11R1.4 OCCSCCC1OCCO1 62a_100000211926_100000740749 [0,0,0,1,0,0|3,0,0]=4 9690 B11R1.4 OCCSCCN1CCCC1 62a_100000211926_100000004467 [0,0,0,1,0,0|2,0,0]=3 9691 B11R1.4 OCCSCCN1CCCC1 62a_100000700749_100000211926 [0,0,0,1,0,0|2,0,0]=3 9692 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [0,0,0,1,0,0|3,0,0]=4 9693 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,0,0,1,0,0|2,0,0]=3 9694 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,0,0,1,0,0|1,0,2]=4 9695 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,0,0,1,0,0|1,0,2]=4 9696 B11R1.17 C#CCCN1CCCCC1C 2230a_100000211376_100000688953 [0,0,0,1,0,0|2,0,1]=4 9697 B11R1.17 C#CCCN1CCCCC1C 269982a_100000211376_100000730999 [0,0,0,1,0,0|2,0,1]=4 9698 B11R1.17 C#CCCN1CCCCC1C 34a_100000211376_100000688953 [0,0,0,1,0,0|2,0,1]=4 9699 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [0,0,0,1,0,0|2,0,1]=4 9700 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [0,0,0,1,0,0|2,0,1]=4 9701 B11R1.17 C#CCNC1CCCCC1O 34a_100000212058_100000038908 [0,0,0,1,0,0|1,0,2]=4 9702 B11R1.17 C#CCOC1CCCCC1C 34a_100000211207_100000184674 [0,0,0,1,0,0|2,0,1]=4 9703 B11R1.17 C#CCOC1CCCCC1C 7a_100000211207_100000038162 [0,0,0,1,0,0|2,0,1]=4 9704 B11R1.17 C#CCOC1CCCCC1O 34a_100000210247_100000038908 [0,0,0,1,0,0|1,0,2]=4 9705 B11R1.17 C#CCSC1CCCCC1O 62a_100000038162_100000038908 [0,0,0,1,0,0|1,0,2]=4 9706 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [0,0,0,1,0,0|2,0,1]=4 9707 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [0,0,0,1,0,0|2,0,1]=4 9708 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [0,0,0,1,0,0|2,0,1]=4 9709 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,0,0,1,0,0|2,0,1]=4 9710 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,0,0,1,0,0|2,0,1]=4 9711 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,0,0,1,0,0|2,0,1]=4 9712 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,0,0,1,0,0|2,0,1]=4 9713 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,0,0,1,0,0|2,0,1]=4 9714 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,0,0,1,0,0|1,0,2]=4 9715 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,0,0,1,0,0|1,0,2]=4 9716 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,0,0,1,0,0|1,0,2]=4 9717 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [0,0,0,1,0,0|2,0,1]=4 9718 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,0,0,1,0,0|1,0,2]=4 9719 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,0,0,1,0,0|1,0,2]=4 9720 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,0,0,1,0,0|2,0,0]=3 9721 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,0,0,1,0,0|2,0,0]=3 9722 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,0,0,1,0,0|2,0,0]=3 9723 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,0,0,1,0,0|1,0,0]=2 9724 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,0,0,1,0,0|1,0,0]=2 9725 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,0,0,1,0,0|1,0,0]=2 9726 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,0,0,1,0,0|1,0,0]=2 9727 B11R1.17 CC1CCCCC1OCC#N 7a_100000211207_100011215382 [0,0,0,1,0,0|2,0,1]=4 9728 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,0,0,1,0,0|1,0,2]=4 9729 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,0,0,1,0,0|1,0,2]=4 9730 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [0,0,0,1,0,0|2,0,0]=3 9731 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [0,0,0,1,0,0|2,0,0]=3 9732 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,0,0,1,0,0|1,0,0]=2 9733 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,0,0,1,0,0|1,0,0]=2 9734 B11R1.17 CC1CCCCN1CCC#N 2230a_100000211376_100011215226 [0,0,0,1,0,0|2,0,1]=4 9735 B11R1.17 CC1CCCCN1CCC#N 269982a_100000211376_100011215226 [0,0,0,1,0,0|2,0,1]=4 9736 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [0,0,0,1,0,0|2,0,0]=3 9737 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [0,0,0,1,0,0|2,0,0]=3 9738 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [0,0,0,1,0,0|2,0,0]=3 9739 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,0,0,1,0,0|1,0,0]=2 9740 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,0,0,1,0,0|1,0,0]=2 9741 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,0,0,1,0,0|1,0,0]=2 9742 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [0,0,0,1,0,0|3,0,0]=4 9743 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [0,0,0,1,0,0|3,0,0]=4 9744 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [0,0,0,1,0,0|3,0,0]=4 9745 B11R1.17 CC1CCNCC1OCCF 34a_100000696640_100011217306 [0,0,0,1,0,0|3,0,0]=4 9746 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [0,0,0,1,0,0|2,0,0]=3 9747 B11R1.17 CC1CNCCC1NCCO 270004a_100000210304_100000703950 [0,0,0,1,0,0|2,0,0]=3 9748 B11R1.17 CC1CNCCC1OCCF 34a_100011998114_100011217306 [0,0,0,1,0,0|3,0,0]=4 9749 B11R1.17 CC1CNCCC1OCCO 34a_100011998114_100000211926 [0,0,0,1,0,0|2,0,0]=3 9750 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [0,0,0,1,0,0|2,0,0]=3 9751 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [0,0,0,1,0,0|2,0,0]=3 9752 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [0,0,0,1,0,0|2,0,0]=3 9753 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [0,0,0,1,0,0|2,0,0]=3 9754 B11R1.17 CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210211 [0,0,0,1,0,0|3,0,0]=4 9755 B11R1.17 CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210211 [0,0,0,1,0,0|3,0,0]=4 9756 B11R1.17 CCCCN1CCOC[C@@H]1C 34a_100009815349_100000210210 [0,0,0,1,0,0|3,0,0]=4 9757 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,0,0,1,0,0|2,0,0]=3 9758 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,0,0,1,0,0|2,0,0]=3 9759 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,0,0,1,0,0|2,0,0]=3 9760 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,0,0,1,0,0|2,0,0]=3 9761 B11R1.17 CCCNC1CCNCC1C 270004a_100020643023_100000703950 [0,0,0,1,0,0|3,0,0]=4 9762 B11R1.17 CCCNC1CCOCC1C 270004a_100020643023_100000755695 [0,0,0,1,0,0|3,0,0]=4 9763 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [0,0,0,1,0,0|2,0,0]=3 9764 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [0,0,0,1,0,0|2,0,0]=3 9765 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [0,0,0,1,0,0|2,0,0]=3 9766 B11R1.17 CCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210303 [0,0,0,1,0,0|3,0,0]=4 9767 B11R1.17 CCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210303 [0,0,0,1,0,0|3,0,0]=4 9768 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,0,0,1,0,0|2,0,0]=3 9769 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,0,0,1,0,0|1,0,2]=4 9770 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,0,0,1,0,0|1,0,2]=4 9771 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [0,0,0,1,0,0|2,0,0]=3 9772 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [0,0,0,1,0,0|2,0,0]=3 9773 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [0,0,0,1,0,0|2,0,0]=3 9774 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [0,0,0,1,0,0|2,0,0]=3 9775 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [0,0,0,1,0,0|2,0,0]=3 9776 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,0,0,1,0,0|1,0,0]=2 9777 B11R1.17 CCCOC1CCNCC1C 34a_100011998114_100000210303 [0,0,0,1,0,0|3,0,0]=4 9778 B11R1.17 CCCOC1CNCCC1C 34a_100000696640_100000210303 [0,0,0,1,0,0|3,0,0]=4 9779 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [0,0,0,1,0,0|2,0,0]=3 9780 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [0,0,0,1,0,0|2,0,0]=3 9781 B11R1.17 CCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210303 [0,0,0,1,0,0|3,0,0]=4 9782 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [0,0,0,1,0,0|2,0,0]=3 9783 B11R1.17 CCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210303 [0,0,0,1,0,0|3,0,0]=4 9784 B11R1.17 CCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210303 [0,0,0,1,0,0|3,0,0]=4 9785 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,0,0,1,0,0|1,0,2]=4 9786 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,0,0,1,0,0|1,0,2]=4 9787 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [0,0,0,1,0,0|2,0,0]=3 9788 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [0,0,0,1,0,0|2,0,0]=3 9789 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,0,0,1,0,0|1,0,0]=2 9790 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,0,0,1,0,0|1,0,0]=2 9791 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,0,0,1,0,0|1,0,0]=2 9792 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [0,0,0,1,0,0|3,0,0]=4 9793 B11R1.17 CCNN=C1CCCCC1O 4a_100000756455_100011214950 [0,0,0,1,0,0|2,0,1]=4 9794 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,0,0,1,0,0|1,0,2]=4 9795 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,0,0,1,0,0|1,0,2]=4 9796 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [0,0,0,1,0,0|3,0,0]=4 9797 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [0,0,0,1,0,0|3,0,0]=4 9798 B11R1.17 CCOCC1COCCC1N 34a_214813039666_100000210202 [0,0,0,1,0,0|3,0,0]=4 9799 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [0,0,0,1,0,0|3,0,0]=4 9800 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [0,0,0,1,0,0|3,0,0]=4 9801 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [0,0,0,1,0,0|3,0,0]=4 9802 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,0,0,1,0,0|1,0,0]=2 9803 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,0,0,1,0,0|1,0,0]=2 9804 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,0,0,1,0,0|1,0,0]=2 9805 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [0,0,0,1,0,0|3,0,0]=4 9806 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [0,0,0,1,0,0|3,0,0]=4 9807 B11R1.17 CN1CCCCC1CNCF 34a_100011228421_100015361967 [0,0,0,1,0,0|3,0,0]=4 9808 B11R1.17 CN1CCCCC1COCF 34a_100000225079_100015361967 [0,0,0,1,0,0|3,0,0]=4 9809 B11R1.17 CN1CCCCC1CSCF 62a_100015185383_100015361967 [0,0,0,1,0,0|3,0,0]=4 9810 B11R1.17 CN1CCCCC1CSCF 62a_100015361967_100015185383 [0,0,0,1,0,0|3,0,0]=4 9811 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [0,0,0,1,0,0|3,0,0]=4 9812 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [0,0,0,1,0,0|3,0,0]=4 9813 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [0,0,0,1,0,0|3,0,0]=4 9814 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [0,0,0,1,0,0|3,0,0]=4 9815 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [0,0,0,1,0,0|3,0,0]=4 9816 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [0,0,0,1,0,0|3,0,0]=4 9817 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [0,0,0,1,0,0|3,0,0]=4 9818 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [0,0,0,1,0,0|3,0,0]=4 9819 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [0,0,0,1,0,0|3,0,0]=4 9820 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [0,0,0,1,0,0|3,0,0]=4 9821 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [0,0,0,1,0,0|3,0,0]=4 9822 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [0,0,0,1,0,0|3,0,0]=4 9823 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [0,0,0,1,0,0|3,0,0]=4 9824 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [0,0,0,1,0,0|3,0,0]=4 9825 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [0,0,0,1,0,0|3,0,0]=4 9826 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [0,0,0,1,0,0|3,0,0]=4 9827 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,0,0,1,0,0|3,0,0]=4 9828 B11R1.17 COCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000766300 [0,0,0,1,0,0|3,0,0]=4 9829 B11R1.17 COCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000766300 [0,0,0,1,0,0|3,0,0]=4 9830 B11R1.17 COCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000766300 [0,0,0,1,0,0|3,0,0]=4 9831 B11R1.17 COCSC1CCCCC1F 62a_100000766300_100015423560 [0,0,0,1,0,0|3,0,0]=4 9832 B11R1.17 COCSC1CCCCC1F 62a_100015423560_100000766300 [0,0,0,1,0,0|3,0,0]=4 9833 B11R1.17 COCSC1CCCCC1O 62a_100000038908_100000766300 [0,0,0,1,0,0|2,0,0]=3 9834 B11R1.17 COCSC1CCCCC1O 62a_100000766300_100000038908 [0,0,0,1,0,0|2,0,0]=3 9835 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [0,0,0,1,0,0|3,0,0]=4 9836 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [0,0,0,1,0,0|3,0,0]=4 9837 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [0,0,0,1,0,0|3,0,0]=4 9838 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [0,0,0,1,0,0|3,0,0]=4 9839 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [0,0,0,1,0,0|3,0,0]=4 9840 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,0,0,1,0,0|3,0,0]=4 9841 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,0,0,1,0,0|3,0,0]=4 9842 B11R1.17 CSCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218213 [0,0,0,1,0,0|3,0,0]=4 9843 B11R1.17 CSCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218213 [0,0,0,1,0,0|3,0,0]=4 9844 B11R1.17 CSCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011218213 [0,0,0,1,0,0|3,0,0]=4 9845 B11R1.17 CSCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011218213 [0,0,0,1,0,0|3,0,0]=4 9846 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [0,0,0,1,0,0|3,0,0]=4 9847 B11R1.17 CSCOC1CCCCC1Cl 34a_100000038908_100011218213 [0,0,0,1,0,0|3,0,0]=4 9848 B11R1.17 CSCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218213 [0,0,0,1,0,0|3,0,0]=4 9849 B11R1.17 CSCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218213 [0,0,0,1,0,0|3,0,0]=4 9850 B11R1.17 CSCSC1CCCCC1F 62a_100011218213_100015423560 [0,0,0,1,0,0|3,0,0]=4 9851 B11R1.17 CSCSC1CCCCC1F 62a_100015423560_100011218213 [0,0,0,1,0,0|3,0,0]=4 9852 B11R1.17 CSCSC1CCCCC1O 62a_100000038908_100011218213 [0,0,0,1,0,0|2,0,0]=3 9853 B11R1.17 CSCSC1CCCCC1O 62a_100011218213_100000038908 [0,0,0,1,0,0|2,0,0]=3 9854 B11R1.17 C[C@H]1COCCN1CCCF 2230a_100009815349_100011934791 [0,0,0,1,0,0|3,0,0]=4 9855 B11R1.17 C[C@H]1COCCN1CCCF 269982a_100009815349_100011934791 [0,0,0,1,0,0|3,0,0]=4 9856 B11R1.17 C[C@H]1COCCN1CCCF 34a_100009815349_100011934791 [0,0,0,1,0,0|3,0,0]=4 9857 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [0,0,0,1,0,0|2,0,0]=3 9858 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [0,0,0,1,0,0|2,0,0]=3 9859 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [0,0,0,1,0,0|2,0,0]=3 9860 B11R1.17 FC1CCCCC1OCCBr 34a_100000211926_100015423560 [0,0,0,1,0,0|3,0,0]=4 9861 B11R1.17 FCCNC1CCCCC1F 34a_100000724931_100015423560 [0,0,0,1,0,0|3,0,0]=4 9862 B11R1.17 FCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011217306 [0,0,0,1,0,0|3,0,0]=4 9863 B11R1.17 FCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011217306 [0,0,0,1,0,0|3,0,0]=4 9864 B11R1.17 FCCOC1CCCCC1Cl 34a_100000038908_100011217306 [0,0,0,1,0,0|3,0,0]=4 9865 B11R1.17 FCCOC1CCCCC1Cl 7a_100000038908_100011217306 [0,0,0,1,0,0|3,0,0]=4 9866 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011217306 [0,0,0,1,0,0|3,0,0]=4 9867 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011217306 [0,0,0,1,0,0|3,0,0]=4 9868 B11R1.17 FCCSC1CCCCC1F 62a_100011217306_100015423560 [0,0,0,1,0,0|3,0,0]=4 9869 B11R1.17 FCCSC1CCCCC1F 62a_100015423560_100011217306 [0,0,0,1,0,0|3,0,0]=4 9870 B11R1.17 N#CCSC1CCCCC1O 62a_100000038908_100011215382 [0,0,0,1,0,0|2,0,1]=4 9871 B11R1.17 N#CCSC1CCCCC1O 62a_100011215382_100000038908 [0,0,0,1,0,0|2,0,1]=4 9872 B11R1.17 NCCOC1CCCCC1F 34a_100000210304_100015423560 [0,0,0,1,0,0|3,0,0]=4 9873 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [0,0,0,1,0,0|2,0,0]=3 9874 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCF 34a_100015191688_100011217306 [0,0,0,1,0,0|3,0,0]=4 9875 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [0,0,0,1,0,0|2,0,0]=3 9876 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCO 34a_100016994285_100000211926 [0,0,0,1,0,0|3,0,0]=4 9877 B11R1.17 N[C@H]1COCC[C@@H]1OCCO 34a_100015739063_100000211926 [0,0,0,1,0,0|3,0,0]=4 9878 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,0,0,1,0,0|2,0,1]=4 9879 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,0,0,1,0,0|2,0,1]=4 9880 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,0,0,1,0,0|2,0,1]=4 9881 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,0,0,1,0,0|2,0,1]=4 9882 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,0,0,1,0,0|2,0,1]=4 9883 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,0,0,1,0,0|2,0,1]=4 9884 B11R1.17 OC1CCCCC1CNCF 34a_100011216029_100015361967 [0,0,0,1,0,0|2,0,0]=3 9885 B11R1.17 OC1CCCCC1NCCF 34a_100000724931_100000038908 [0,0,0,1,0,0|2,0,0]=3 9886 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [0,0,0,1,0,0|2,0,0]=3 9887 B11R1.17 OC1CCCCC1SCCF 62a_100000038908_100011217306 [0,0,0,1,0,0|2,0,0]=3 9888 B11R1.17 OC1CCCCC1SCCF 62a_100011217306_100000038908 [0,0,0,1,0,0|2,0,0]=3 9889 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [0,0,0,1,0,0|2,0,0]=3 9890 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,0,0,1,0,0|2,0,0]=3 9891 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [0,0,0,1,0,0|2,0,0]=3 9892 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [0,0,0,1,0,0|2,0,0]=3 9893 B11R1.17 OCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000211926 [0,0,0,1,0,0|3,0,0]=4 9894 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000211926 [0,0,0,1,0,0|3,0,0]=4 9895 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000211926 [0,0,0,1,0,0|3,0,0]=4 9896 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000211926 [0,0,0,1,0,0|3,0,0]=4 9897 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [0,0,0,1,0,0|2,0,0]=3 9898 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [0,0,0,1,0,0|2,0,0]=3 9899 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [0,0,0,1,0,0|2,0,0]=3 9900 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [0,0,0,1,0,0|2,0,0]=3 9901 B11R1.17 OCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000211926 [0,0,0,1,0,0|3,0,0]=4 9902 B11R1.17 OCCSC1CCCCC1F 62a_100000211926_100015423560 [0,0,0,1,0,0|2,0,0]=3 9903 B11R1.17 OCCSC1CCCCC1F 62a_100015423560_100000211926 [0,0,0,1,0,0|2,0,0]=3 9904 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [0,0,0,1,0,0|2,0,0]=3 9905 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [0,0,0,1,0,0|2,0,0]=3 9906 B11R1.17 O[C@H]1CCOC[C@@H]1NCCF 2230a_100015739063_100011217306 [0,0,0,1,0,0|3,0,0]=4 9907 B11R1.17 O[C@H]1COCC[C@H]1NCCF 2230a_100016994285_100011217306 [0,0,0,1,0,0|3,0,0]=4 9908 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,0,0,1,0,0|1,0,0]=2 9909 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,0,0,1,0,0|1,0,0]=2 9910 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,0,0,1,0,0|1,0,0]=2 9911 B11R1.18 C#CCCN1CCCC1CC 2230a_100000754278_100000688953 [0,0,0,1,0,0|2,0,1]=4 9912 B11R1.18 C#CCCN1CCCC1CC 269982a_100000754278_100000730999 [0,0,0,1,0,0|2,0,1]=4 9913 B11R1.18 C#CCCN1CCCC1CC 34a_100000754278_100000688953 [0,0,0,1,0,0|2,0,1]=4 9914 B11R1.18 C#CCCN1CCC[C@@H]1CO 2230a_100000745186_100000688953 [0,0,0,1,0,0|1,0,2]=4 9915 B11R1.18 C#CCCN1CCC[C@@H]1CO 269982a_100000745186_100000730999 [0,0,0,1,0,0|1,0,2]=4 9916 B11R1.18 C#CCCN1CCC[C@@H]1CO 34a_100000745186_100000688953 [0,0,0,1,0,0|1,0,2]=4 9917 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 269982a_100000745186_100102629194 [0,0,0,1,0,0|1,0,2]=4 9918 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 34a_100000745186_100102629194 [0,0,0,1,0,0|1,0,2]=4 9919 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [0,0,0,1,0,0|2,0,1]=4 9920 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [0,0,0,1,0,0|2,0,1]=4 9921 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [0,0,0,1,0,0|2,0,1]=4 9922 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [0,0,0,1,0,0|1,0,2]=4 9923 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [0,0,0,1,0,0|1,0,2]=4 9924 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [0,0,0,1,0,0|1,0,2]=4 9925 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [0,0,0,1,0,0|2,0,1]=4 9926 B11R1.18 CC#CCN1CCC[C@@H]1CO 2230a_100000745186_100000748600 [0,0,0,1,0,0|1,0,2]=4 9927 B11R1.18 CC#CCN1CCC[C@@H]1CO 34a_100000745186_100000748600 [0,0,0,1,0,0|1,0,2]=4 9928 B11R1.18 CC=CCN1CCC[C@@H]1CO 2230a_100000745186_100000070051 [0,0,0,1,0,0|1,0,2]=4 9929 B11R1.18 CC=CCN1CCC[C@@H]1CO 34a_100000745186_100000070051 [0,0,0,1,0,0|1,0,2]=4 9930 B11R1.18 CCC1C=CCN1CCCO 2230a_100000730860_100000230001 [0,0,0,1,0,0|1,0,2]=4 9931 B11R1.18 CCC1C=CCN1CCCO 269982a_100000730860_100011215043 [0,0,0,1,0,0|1,0,2]=4 9932 B11R1.18 CCC1C=CCN1CCCO 34a_100000730860_100000230001 [0,0,0,1,0,0|1,0,2]=4 9933 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [0,0,0,1,0,0|2,0,0]=3 9934 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,0,0,1,0,0|1,0,0]=2 9935 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,0,0,1,0,0|1,0,0]=2 9936 B11R1.18 CCC1CCCN1CCC#N 2230a_100000754278_100011215226 [0,0,0,1,0,0|2,0,1]=4 9937 B11R1.18 CCC1CCCN1CCC#N 269982a_100000754278_100011215226 [0,0,0,1,0,0|2,0,1]=4 9938 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [0,0,0,1,0,0|2,0,0]=3 9939 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [0,0,0,1,0,0|2,0,0]=3 9940 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [0,0,0,1,0,0|2,0,0]=3 9941 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,0,0,1,0,0|1,0,0]=2 9942 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,0,0,1,0,0|1,0,0]=2 9943 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,0,0,1,0,0|1,0,0]=2 9944 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [0,0,0,1,0,0|3,0,0]=4 9945 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [0,0,0,1,0,0|3,0,0]=4 9946 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [0,0,0,1,0,0|3,0,0]=4 9947 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [0,0,0,1,0,0|3,0,0]=4 9948 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [0,0,0,1,0,0|3,0,0]=4 9949 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [0,0,0,1,0,0|3,0,0]=4 9950 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [0,0,0,1,0,0|2,0,0]=3 9951 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [0,0,0,1,0,0|2,0,0]=3 9952 B11R1.18 CCCCN1CCCC1C#N 2230a_100000701862_100000210211 [0,0,0,1,0,0|2,0,1]=4 9953 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [0,0,0,1,0,0|2,0,0]=3 9954 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [0,0,0,1,0,0|2,0,0]=3 9955 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [0,0,0,1,0,0|2,0,0]=3 9956 B11R1.18 CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210211 [0,0,0,1,0,0|2,0,1]=4 9957 B11R1.18 CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210211 [0,0,0,1,0,0|2,0,1]=4 9958 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,0,0,1,0,0|1,0,0]=2 9959 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,0,0,1,0,0|1,0,0]=2 9960 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,0,0,1,0,0|1,0,0]=2 9961 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [0,0,0,1,0,0|2,0,0]=3 9962 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [0,0,0,1,0,0|2,0,0]=3 9963 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210303 [0,0,0,1,0,0|2,0,1]=4 9964 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210303 [0,0,0,1,0,0|2,0,1]=4 9965 B11R1.18 CCN1CCC[C@@H]1COCF 34a_100011739246_100015361967 [0,0,0,1,0,0|3,0,0]=4 9966 B11R1.18 CCN1CCC[C@@H]1COCF 7a_100011739246_100015361967 [0,0,0,1,0,0|3,0,0]=4 9967 B11R1.18 CCNCC1CCCN1CC 2230a_100000211693_100000210202 [0,0,0,1,0,0|3,0,0]=4 9968 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [0,0,0,1,0,0|3,0,0]=4 9969 B11R1.18 CCOCN1CCC[C@@H]1CO 269982a_100000745186_100000739092 [0,0,0,1,0,0|2,0,0]=3 9970 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [0,0,0,1,0,0|3,0,0]=4 9971 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [0,0,0,1,0,0|3,0,0]=4 9972 B11R1.18 CNC1CCCC1CCC#N 270004a_106832991635_100000073560 [0,0,0,1,0,0|2,0,1]=4 9973 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [0,0,0,1,0,0|2,0,0]=3 9974 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [0,0,0,1,0,0|2,0,0]=3 9975 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [0,0,0,1,0,0|2,0,0]=3 9976 B11R1.18 CSCCN1CCC[C@@H]1CO 2230a_100000745186_100000751147 [0,0,0,1,0,0|2,0,0]=3 9977 B11R1.18 CSCCN1CCC[C@@H]1CO 269982a_100000745186_100000212216 [0,0,0,1,0,0|2,0,0]=3 9978 B11R1.18 CSCCN1CCC[C@@H]1CO 34a_100000745186_100000212216 [0,0,0,1,0,0|2,0,0]=3 9979 B11R1.18 N#CC1CCCN1CCCO 2230a_100000701862_100000230001 [0,0,0,1,0,0|2,0,1]=4 9980 B11R1.18 N#CCCN1CCC[C@@H]1CO 2230a_100000745186_100011215226 [0,0,0,1,0,0|2,0,1]=4 9981 B11R1.18 N#CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215226 [0,0,0,1,0,0|2,0,1]=4 9982 B11R1.18 N#C[C@@H]1CCC[C@H]1OCCO 34a_100011907464_100000211926 [0,0,0,1,0,0|2,0,1]=4 9983 B11R1.18 N#C[C@@H]1CCC[C@H]1OCCO 7a_100011907464_100000211926 [0,0,0,1,0,0|2,0,1]=4 9984 B11R1.18 N#C[C@H]1CCCN1CCCO 2230a_106645074975_100000230001 [0,0,0,1,0,0|2,0,1]=4 9985 B11R1.18 N#C[C@H]1CCCN1CCCO 269982a_106645074975_100011215043 [0,0,0,1,0,0|2,0,1]=4 9986 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [0,0,0,1,0,0|2,0,0]=3 9987 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [0,0,0,1,0,0|2,0,0]=3 9988 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [0,0,0,1,0,0|2,0,0]=3 9989 B11R1.18 OC[C@H]1CCCN1CCCF 2230a_100000745186_100011934791 [0,0,0,1,0,0|2,0,0]=3 9990 B11R1.18 OC[C@H]1CCCN1CCCF 269982a_100000745186_100011934791 [0,0,0,1,0,0|2,0,0]=3 9991 B11R1.18 OC[C@H]1CCCN1CCCF 34a_100000745186_100011934791 [0,0,0,1,0,0|2,0,0]=3 9992 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [0,0,0,1,0,0|2,0,0]=3 9993 B11R1.28 BrCCCOC1CCCOC1 34a_100011217188_100000693364 [0,0,0,1,0,0|3,0,0]=4 9994 B11R1.28 BrCCCOC1CCSCC1 34a_100011217188_100000069128 [0,0,0,1,0,0|3,0,0]=4 9995 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [0,0,0,1,0,0|2,0,0]=3 9996 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [0,0,0,1,0,0|2,0,0]=3 9997 B11R1.28 BrCCOCC1CCCOC1 34a_100000211926_100000741521 [0,0,0,1,0,0|3,0,0]=4 9998 B11R1.28 BrCCOCC1CCOCC1 34a_100000211926_100000754603 [0,0,0,1,0,0|3,0,0]=4 9999 B11R1.28 C#CCCNC1CCCCC1 2230a_100000182618_100000688953 [0,0,0,1,0,0|2,0,1]=4 10000 B11R1.28 C#CCCNC1CCCCC1 34a_100000182618_100000688953 [0,0,0,1,0,0|2,0,1]=4 10001 B11R1.28 C#CCCNC1CCCCC1 34a_100000755551_100000210327 [0,0,0,1,0,0|2,0,1]=4 10002 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [0,0,0,1,0,0|2,0,1]=4 10003 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [0,0,0,1,0,0|2,0,1]=4 10004 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [0,0,0,1,0,0|2,0,1]=4 10005 B11R1.28 C#CCCOC1CCCCO1 34a_100000033831_100000688953 [0,0,0,1,0,0|1,0,2]=4 10006 B11R1.28 C#CCCSC1CCCCC1 62a_100000210327_100000688953 [0,0,0,1,0,0|2,0,1]=4 10007 B11R1.28 C#CCCSC1CCCCC1 62a_100000688953_100000210327 [0,0,0,1,0,0|2,0,1]=4 10008 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [0,0,0,1,0,0|2,0,1]=4 10009 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [0,0,0,1,0,0|2,0,1]=4 10010 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [0,0,0,1,0,0|2,0,1]=4 10011 B11R1.28 C#CCNCC1CCCCO1 2230a_100000174945_100000038162 [0,0,0,1,0,0|1,0,2]=4 10012 B11R1.28 C#CCNCC1CCCCO1 34a_100000174945_100000184674 [0,0,0,1,0,0|1,0,2]=4 10013 B11R1.28 C#CCNCC1CCCCO1 34a_100000212058_100000211543 [0,0,0,1,0,0|1,0,2]=4 10014 B11R1.28 C#CCOCC1CCCCC1 34a_100000210247_100000211423 [0,0,0,1,0,0|2,0,1]=4 10015 B11R1.28 C#CCOCC1CCCCC1 34a_100000212181_100000184674 [0,0,0,1,0,0|2,0,1]=4 10016 B11R1.28 C#CCOCC1CCCCC1 7a_100000212181_100000038162 [0,0,0,1,0,0|2,0,1]=4 10017 B11R1.28 C#CCOCC1CCCCO1 34a_100000210247_100000211543 [0,0,0,1,0,0|1,0,2]=4 10018 B11R1.28 C#CCOCC1CCCCO1 34a_100000211370_100000184674 [0,0,0,1,0,0|1,0,2]=4 10019 B11R1.28 C#CCOCC1CCCCO1 7a_100000211370_100000038162 [0,0,0,1,0,0|1,0,2]=4 10020 B11R1.28 C#CCSCC1CCCCC1 62a_100000038162_100000211423 [0,0,0,1,0,0|2,0,1]=4 10021 B11R1.28 C#CCSCC1CCCCO1 62a_100000038162_100000211543 [0,0,0,1,0,0|1,0,2]=4 10022 B11R1.28 C/C=C/COC1CCCCO1 34a_100000033831_100102629194 [0,0,0,1,0,0|1,0,2]=4 10023 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,0,0,1,0,0|2,0,1]=4 10024 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,0,0,1,0,0|2,0,1]=4 10025 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,0,0,1,0,0|2,0,1]=4 10026 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,0,0,1,0,0|2,0,1]=4 10027 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,0,0,1,0,0|2,0,1]=4 10028 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,0,0,1,0,0|2,0,1]=4 10029 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,0,0,1,0,0|1,0,2]=4 10030 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,0,0,1,0,0|2,0,1]=4 10031 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,0,0,1,0,0|2,0,1]=4 10032 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,0,0,1,0,0|2,0,1]=4 10033 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,0,0,1,0,0|2,0,1]=4 10034 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,0,0,1,0,0|2,0,1]=4 10035 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,0,0,1,0,0|1,0,2]=4 10036 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,0,0,1,0,0|1,0,2]=4 10037 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,0,0,1,0,0|1,0,2]=4 10038 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,0,0,1,0,0|2,0,1]=4 10039 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,0,0,1,0,0|2,0,1]=4 10040 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,0,0,1,0,0|2,0,1]=4 10041 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [0,0,0,1,0,0|1,0,2]=4 10042 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [0,0,0,1,0,0|1,0,2]=4 10043 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [0,0,0,1,0,0|1,0,2]=4 10044 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,0,0,1,0,0|2,0,1]=4 10045 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,0,0,1,0,0|2,0,1]=4 10046 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [0,0,0,1,0,0|1,0,2]=4 10047 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [0,0,0,1,0,0|1,0,2]=4 10048 B11R1.28 CC#CCOC1CCCCO1 34a_100000033831_100000748600 [0,0,0,1,0,0|1,0,2]=4 10049 B11R1.28 CC=CCOC1CCCCO1 34a_100000033831_100000070051 [0,0,0,1,0,0|1,0,2]=4 10050 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,0,0,1,0,0|3,0,0]=4 10051 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,0,0,1,0,0|3,0,0]=4 10052 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,0,0,1,0,0|3,0,0]=4 10053 B11R1.28 CCCCCN1CCOCC1 2230a_100015191051_100000210326 [0,0,0,1,0,0|3,0,0]=4 10054 B11R1.28 CCCCCN1CCOCC1 269982a_100015191051_100000210215 [0,0,0,1,0,0|3,0,0]=4 10055 B11R1.28 CCCCCN1CCOCC1 34a_100015191051_100000718602 [0,0,0,1,0,0|3,0,0]=4 10056 B11R1.28 CCCCCN1CCSCC1 2230a_100000737611_100000210326 [0,0,0,1,0,0|3,0,0]=4 10057 B11R1.28 CCCCCN1CCSCC1 269982a_100000737611_100000210215 [0,0,0,1,0,0|3,0,0]=4 10058 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,0,0,1,0,0|2,0,1]=4 10059 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,0,0,1,0,0|2,0,1]=4 10060 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [0,0,0,1,0,0|2,0,0]=3 10061 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [0,0,0,1,0,0|2,0,0]=3 10062 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [0,0,0,1,0,0|2,0,0]=3 10063 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [0,0,0,1,0,0|2,0,0]=3 10064 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [0,0,0,1,0,0|3,0,0]=4 10065 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [0,0,0,1,0,0|3,0,0]=4 10066 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [0,0,0,1,0,0|3,0,0]=4 10067 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [0,0,0,1,0,0|3,0,0]=4 10068 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [0,0,0,1,0,0|3,0,0]=4 10069 B11R1.28 CCCCNC1CCNCC1 270004a_100000102301_100015192401 [0,0,0,1,0,0|3,0,0]=4 10070 B11R1.28 CCCCNC1CCOCC1 2230a_100000741149_100000210211 [0,0,0,1,0,0|3,0,0]=4 10071 B11R1.28 CCCCNC1CCOCC1 270004a_100000102301_100011217826 [0,0,0,1,0,0|3,0,0]=4 10072 B11R1.28 CCCCNC1CCOCC1 34a_100000741149_100000210210 [0,0,0,1,0,0|3,0,0]=4 10073 B11R1.28 CCCCNC1CCOCC1 7a_106832991798_100000686592 [0,0,0,1,0,0|3,0,0]=4 10074 B11R1.28 CCCCNC1CCSCC1 2230a_100000748639_100000210211 [0,0,0,1,0,0|3,0,0]=4 10075 B11R1.28 CCCCNC1CCSCC1 270004a_100000102301_100000203788 [0,0,0,1,0,0|3,0,0]=4 10076 B11R1.28 CCCCNC1CCSCC1 34a_100000748639_100000210210 [0,0,0,1,0,0|3,0,0]=4 10077 B11R1.28 CCCCNC1CCSCC1 7a_106832991798_100011500858 [0,0,0,1,0,0|3,0,0]=4 10078 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,0,0,1,0,0|2,0,1]=4 10079 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,0,0,1,0,0|2,0,1]=4 10080 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [0,0,0,1,0,0|2,0,0]=3 10081 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [0,0,0,1,0,0|2,0,0]=3 10082 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [0,0,0,1,0,0|2,0,0]=3 10083 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [0,0,0,1,0,0|2,0,0]=3 10084 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,0,0,1,0,0|1,0,0]=2 10085 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [0,0,0,1,0,0|3,0,0]=4 10086 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [0,0,0,1,0,0|3,0,0]=4 10087 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [0,0,0,1,0,0|3,0,0]=4 10088 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [0,0,0,1,0,0|3,0,0]=4 10089 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [0,0,0,1,0,0|3,0,0]=4 10090 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [0,0,0,1,0,0|3,0,0]=4 10091 B11R1.28 CCCCOC1CCSCC1 34a_100000210227_100000069128 [0,0,0,1,0,0|3,0,0]=4 10092 B11R1.28 CCCCOC1CCSCC1 34a_100000731022_100000210210 [0,0,0,1,0,0|3,0,0]=4 10093 B11R1.28 CCCCOC1CCSCC1 7a_100000210227_100011500858 [0,0,0,1,0,0|3,0,0]=4 10094 B11R1.28 CCCCOC1CCSCC1 7a_100000731022_100000210211 [0,0,0,1,0,0|3,0,0]=4 10095 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,0,0,1,0,0|2,0,1]=4 10096 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,0,0,1,0,0|2,0,1]=4 10097 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [0,0,0,1,0,0|2,0,0]=3 10098 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [0,0,0,1,0,0|2,0,0]=3 10099 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [0,0,0,1,0,0|3,0,0]=4 10100 B11R1.28 CCCCSC1CCOCC1 62a_100000210211_100011324220 [0,0,0,1,0,0|3,0,0]=4 10101 B11R1.28 CCCCSC1CCSCC1 62a_100000210211_100000069128 [0,0,0,1,0,0|3,0,0]=4 10102 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,0,0,1,0,0|2,0,0]=3 10103 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,0,0,1,0,0|2,0,0]=3 10104 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,0,0,1,0,0|2,0,0]=3 10105 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,0,0,1,0,0|1,0,0]=2 10106 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,0,0,1,0,0|1,0,0]=2 10107 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [0,0,0,1,0,0|3,0,0]=4 10108 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [0,0,0,1,0,0|3,0,0]=4 10109 B11R1.28 CCCNCC1CCOCC1 2230a_100000746373_100000210303 [0,0,0,1,0,0|3,0,0]=4 10110 B11R1.28 CCCNCC1CCOCC1 269862a_100020643023_100000749017 [0,0,0,1,0,0|3,0,0]=4 10111 B11R1.28 CCCNCC1CCOCC1 34a_100000746373_100000210303 [0,0,0,1,0,0|3,0,0]=4 10112 B11R1.28 CCCNCC1CCSCC1 2230a_100015188806_100000210303 [0,0,0,1,0,0|3,0,0]=4 10113 B11R1.28 CCCNCC1CCSCC1 269862a_100020643023_100000067145 [0,0,0,1,0,0|3,0,0]=4 10114 B11R1.28 CCCNCC1CCSCC1 270004a_100020643023_100000067145 [0,0,0,1,0,0|3,0,0]=4 10115 B11R1.28 CCCNCC1CCSCC1 34a_100015188806_100000210303 [0,0,0,1,0,0|3,0,0]=4 10116 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [0,0,0,1,0,0|2,0,0]=3 10117 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [0,0,0,1,0,0|2,0,0]=3 10118 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,0,0,1,0,0|1,0,2]=4 10119 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [0,0,0,1,0,0|2,0,0]=3 10120 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [0,0,0,1,0,0|2,0,0]=3 10121 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [0,0,0,1,0,0|2,0,0]=3 10122 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [0,0,0,1,0,0|2,0,0]=3 10123 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,0,0,1,0,0|1,0,0]=2 10124 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,0,0,1,0,0|1,0,0]=2 10125 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,0,0,1,0,0|1,0,0]=2 10126 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [0,0,0,1,0,0|3,0,0]=4 10127 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,0,0,1,0,0|3,0,0]=4 10128 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,0,0,1,0,0|3,0,0]=4 10129 B11R1.28 CCCOCC1CCNCC1 34a_100000738675_100000210303 [0,0,0,1,0,0|3,0,0]=4 10130 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [0,0,0,1,0,0|3,0,0]=4 10131 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [0,0,0,1,0,0|3,0,0]=4 10132 B11R1.28 CCCOCC1CCSCC1 34a_100000070558_100000210303 [0,0,0,1,0,0|3,0,0]=4 10133 B11R1.28 CCCOCC1CCSCC1 7a_100000070558_100000210303 [0,0,0,1,0,0|3,0,0]=4 10134 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [0,0,0,1,0,0|2,0,0]=3 10135 B11R1.28 CCCOC[C@@H]1COCCN1 34a_100000717676_100000210303 [0,0,0,1,0,0|3,0,0]=4 10136 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [0,0,0,1,0,0|2,0,0]=3 10137 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [0,0,0,1,0,0|2,0,0]=3 10138 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [0,0,0,1,0,0|2,0,0]=3 10139 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,0,0,1,0,0|1,0,0]=2 10140 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,0,0,1,0,0|1,0,0]=2 10141 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [0,0,0,1,0,0|3,0,0]=4 10142 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [0,0,0,1,0,0|3,0,0]=4 10143 B11R1.28 CCCSCC1CCOCC1 62a_100000210303_100000749018 [0,0,0,1,0,0|3,0,0]=4 10144 B11R1.28 CCCSCC1CCOCC1 62a_100000754603_100000210303 [0,0,0,1,0,0|3,0,0]=4 10145 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [0,0,0,1,0,0|2,0,1]=4 10146 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [0,0,0,1,0,0|2,0,1]=4 10147 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,0,0,1,0,0|2,0,0]=3 10148 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,0,0,1,0,0|2,0,0]=3 10149 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,0,0,1,0,0|2,0,0]=3 10150 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,0,0,1,0,0|2,0,0]=3 10151 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,0,0,1,0,0|1,0,0]=2 10152 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,0,0,1,0,0|1,0,0]=2 10153 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [0,0,0,1,0,0|3,0,0]=4 10154 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [0,0,0,1,0,0|3,0,0]=4 10155 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [0,0,0,1,0,0|3,0,0]=4 10156 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [0,0,0,1,0,0|2,0,0]=3 10157 B11R1.28 CCNCCN1CCCCC1 2230a_100015525214_100000739454 [0,0,0,1,0,0|3,0,0]=4 10158 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [0,0,0,1,0,0|3,0,0]=4 10159 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [0,0,0,1,0,0|2,0,0]=3 10160 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [0,0,0,1,0,0|2,0,0]=3 10161 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [0,0,0,1,0,0|2,0,0]=3 10162 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [0,0,0,1,0,0|2,0,0]=3 10163 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [0,0,0,1,0,0|3,0,0]=4 10164 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [0,0,0,1,0,0|3,0,0]=4 10165 B11R1.28 CCOCCC1CCOCC1 34a_100011933979_100000210202 [0,0,0,1,0,0|3,0,0]=4 10166 B11R1.28 CCOCCC1CCOCC1 34a_100121572206_100011934994 [0,0,0,1,0,0|3,0,0]=4 10167 B11R1.28 CCOCCC1CCOCC1 7a_100011933979_100000210202 [0,0,0,1,0,0|3,0,0]=4 10168 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [0,0,0,1,0,0|2,0,0]=3 10169 B11R1.28 CCOCCC1SCCCS1 34a_200011025297_100000210202 [0,0,0,1,0,0|2,1,0]=4 10170 B11R1.28 CCOCCC1SCCCS1 7a_200011025297_100000210202 [0,0,0,1,0,0|2,1,0]=4 10171 B11R1.28 CCOCCN1CCCCC1 34a_100121572206_100000739454 [0,0,0,1,0,0|3,0,0]=4 10172 B11R1.28 CCOCC[C@@H]1CNCCN1 34a_100016989929_100000210202 [0,0,0,1,0,0|3,0,0]=4 10173 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [0,0,0,1,0,0|3,0,0]=4 10174 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [0,0,0,1,0,0|3,0,0]=4 10175 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [0,0,0,1,0,0|3,0,0]=4 10176 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [0,0,0,1,0,0|2,0,0]=3 10177 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [0,0,0,1,0,0|2,0,0]=3 10178 B11R1.28 CCSCCC1CCOCC1 62a_100000210202_100011934994 [0,0,0,1,0,0|3,0,0]=4 10179 B11R1.28 CCSCCC1CCOCC1 62a_100011934994_100000210202 [0,0,0,1,0,0|3,0,0]=4 10180 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [0,0,0,1,0,0|2,0,0]=3 10181 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [0,0,0,1,0,0|2,0,0]=3 10182 B11R1.28 CCSCCN1CCCCC1 62a_100000210202_100000739454 [0,0,0,1,0,0|3,0,0]=4 10183 B11R1.28 CCSCCN1CCCCC1 62a_100000739454_100000210202 [0,0,0,1,0,0|3,0,0]=4 10184 B11R1.28 CCSCOC1CCCCC1 62a_100000210202_100011935260 [0,0,0,1,0,0|3,0,0]=4 10185 B11R1.28 CCSCOC1CCCCC1 62a_100011935260_100000210202 [0,0,0,1,0,0|3,0,0]=4 10186 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [0,0,0,1,0,0|2,0,0]=3 10187 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [0,0,0,1,0,0|2,0,0]=3 10188 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [0,0,0,1,0,0|2,0,0]=3 10189 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [0,0,0,1,0,0|2,0,0]=3 10190 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [0,0,0,1,0,0|2,0,0]=3 10191 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [0,0,0,1,0,0|3,0,0]=4 10192 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [0,0,0,1,0,0|3,0,0]=4 10193 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [0,0,0,1,0,0|3,0,0]=4 10194 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [0,0,0,1,0,0|3,0,0]=4 10195 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [0,0,0,1,0,0|3,0,0]=4 10196 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [0,0,0,1,0,0|3,0,0]=4 10197 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [0,0,0,1,0,0|3,0,0]=4 10198 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [0,0,0,1,0,0|2,0,0]=3 10199 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [0,0,0,1,0,0|2,0,0]=3 10200 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [0,0,0,1,0,0|2,0,0]=3 10201 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,0,0,1,0,0|2,0,0]=3 10202 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,0,0,1,0,0|2,0,0]=3 10203 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,0,0,1,0,0|2,0,0]=3 10204 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [0,0,0,1,0,0|2,0,0]=3 10205 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [0,0,0,1,0,0|3,0,0]=4 10206 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 10207 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [0,0,0,1,0,0|3,0,0]=4 10208 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [0,0,0,1,0,0|3,0,0]=4 10209 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,0,0,1,0,0|3,0,0]=4 10210 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,0,0,1,0,0|3,0,0]=4 10211 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,0,0,1,0,0|3,0,0]=4 10212 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,0,0,1,0,0|3,0,0]=4 10213 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,0,0,1,0,0|3,0,0]=4 10214 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,0,0,1,0,0|3,0,0]=4 10215 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,0,0,1,0,0|3,0,0]=4 10216 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,0,0,1,0,0|3,0,0]=4 10217 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,0,0,1,0,0|3,0,0]=4 10218 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,0,0,1,0,0|3,0,0]=4 10219 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [0,0,0,1,0,0|2,0,0]=3 10220 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [0,0,0,1,0,0|2,0,0]=3 10221 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [0,0,0,1,0,0|2,0,0]=3 10222 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [0,0,0,1,0,0|2,0,0]=3 10223 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [0,0,0,1,0,0|3,0,0]=4 10224 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [0,0,0,1,0,0|3,0,0]=4 10225 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,0,0,1,0,0|3,0,0]=4 10226 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [0,0,0,1,0,0|2,0,0]=3 10227 B11R1.28 COCNC[C@H]1COCCO1 2230a_100010981119_100000766300 [0,0,0,1,0,0|3,0,0]=4 10228 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [0,0,0,1,0,0|3,0,0]=4 10229 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [0,0,0,1,0,0|3,0,0]=4 10230 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [0,0,0,1,0,0|2,0,0]=3 10231 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [0,0,0,1,0,0|2,0,0]=3 10232 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [0,0,0,1,0,0|2,0,0]=3 10233 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [0,0,0,1,0,0|2,0,0]=3 10234 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [0,0,0,1,0,0|3,0,0]=4 10235 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [0,0,0,1,0,0|3,0,0]=4 10236 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [0,0,0,1,0,0|3,0,0]=4 10237 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [0,0,0,1,0,0|3,0,0]=4 10238 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [0,0,0,1,0,0|3,0,0]=4 10239 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [0,0,0,1,0,0|3,0,0]=4 10240 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [0,0,0,1,0,0|3,0,0]=4 10241 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [0,0,0,1,0,0|3,0,0]=4 10242 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [0,0,0,1,0,0|3,0,0]=4 10243 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [0,0,0,1,0,0|3,0,0]=4 10244 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [0,0,0,1,0,0|3,0,0]=4 10245 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [0,0,0,1,0,0|2,0,0]=3 10246 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [0,0,0,1,0,0|2,0,0]=3 10247 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [0,0,0,1,0,0|2,0,0]=3 10248 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [0,0,0,1,0,0|3,0,0]=4 10249 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [0,0,0,1,0,0|3,0,0]=4 10250 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,0,0,1,0,0|3,0,0]=4 10251 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,0,0,1,0,0|3,0,0]=4 10252 B11R1.28 CSCNCC1CCCCO1 2230a_100000174945_100011218213 [0,0,0,1,0,0|2,0,0]=3 10253 B11R1.28 CSCNCC1CCCCO1 34a_100000174945_100011218213 [0,0,0,1,0,0|2,0,0]=3 10254 B11R1.28 CSCNC[C@H]1COCCO1 2230a_100010981119_100011218213 [0,0,0,1,0,0|3,0,0]=4 10255 B11R1.28 CSCNC[C@H]1COCCO1 34a_100010981119_100011218213 [0,0,0,1,0,0|3,0,0]=4 10256 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [0,0,0,1,0,0|3,0,0]=4 10257 B11R1.28 CSCOCC1CCCCN1 34a_100000210821_100011218213 [0,0,0,1,0,0|3,0,0]=4 10258 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [0,0,0,1,0,0|2,0,0]=3 10259 B11R1.28 CSCOC[C@@H]1CNCCO1 34a_100015189573_100011218213 [0,0,0,1,0,0|3,0,0]=4 10260 B11R1.28 CSCOC[C@H]1COCCO1 34a_100009875890_100011218213 [0,0,0,1,0,0|3,0,0]=4 10261 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [0,0,0,1,0,0|3,0,0]=4 10262 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [0,0,0,1,0,0|3,0,0]=4 10263 B11R1.28 CSCSCC1CCCCO1 62a_100000211543_100011218213 [0,0,0,1,0,0|2,0,0]=3 10264 B11R1.28 CSCSCC1CCCCO1 62a_100011218213_100000211543 [0,0,0,1,0,0|2,0,0]=3 10265 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [0,0,0,1,0,0|2,0,0]=3 10266 B11R1.28 ClCCCOC1CCCOC1 34a_100000230001_100000693364 [0,0,0,1,0,0|3,0,0]=4 10267 B11R1.28 ClCCCOC1CCSCC1 34a_100000230001_100000069128 [0,0,0,1,0,0|3,0,0]=4 10268 B11R1.28 FCCCCN1CCCOC1 2230a_100000131196_100000729493 [0,0,0,1,0,0|3,0,0]=4 10269 B11R1.28 FCCCCN1CCCOC1 269982a_100000131196_100000729493 [0,0,0,1,0,0|3,0,0]=4 10270 B11R1.28 FCCCCN1CCCOC1 34a_100000131196_100000729493 [0,0,0,1,0,0|3,0,0]=4 10271 B11R1.28 FCCCCN1CCOCC1 2230a_100015191051_100000729493 [0,0,0,1,0,0|3,0,0]=4 10272 B11R1.28 FCCCCN1CCOCC1 269982a_100015191051_100000729493 [0,0,0,1,0,0|3,0,0]=4 10273 B11R1.28 FCCCCN1CCOCC1 34a_100015191051_100000729493 [0,0,0,1,0,0|3,0,0]=4 10274 B11R1.28 FCCCCN1CCSCC1 2230a_100000737611_100000729493 [0,0,0,1,0,0|3,0,0]=4 10275 B11R1.28 FCCCCN1CCSCC1 269982a_100000737611_100000729493 [0,0,0,1,0,0|3,0,0]=4 10276 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [0,0,0,1,0,0|2,0,0]=3 10277 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [0,0,0,1,0,0|2,0,0]=3 10278 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [0,0,0,1,0,0|2,0,0]=3 10279 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [0,0,0,1,0,0|2,0,0]=3 10280 B11R1.28 FCCCNC1CCCOC1 2230a_100000719290_100011934791 [0,0,0,1,0,0|3,0,0]=4 10281 B11R1.28 FCCCNC1CCCOC1 270004a_100015189416_100000753404 [0,0,0,1,0,0|3,0,0]=4 10282 B11R1.28 FCCCNC1CCCOC1 34a_100000719290_100011934791 [0,0,0,1,0,0|3,0,0]=4 10283 B11R1.28 FCCCNC1CCCOC1 34a_100015189416_100000693364 [0,0,0,1,0,0|3,0,0]=4 10284 B11R1.28 FCCCNC1CCCSC1 270004a_100015189416_100000057913 [0,0,0,1,0,0|3,0,0]=4 10285 B11R1.28 FCCCNC1CCNCC1 270004a_100015189416_100015192401 [0,0,0,1,0,0|3,0,0]=4 10286 B11R1.28 FCCCNC1CCOCC1 2230a_100000741149_100011934791 [0,0,0,1,0,0|3,0,0]=4 10287 B11R1.28 FCCCNC1CCOCC1 270004a_100015189416_100011217826 [0,0,0,1,0,0|3,0,0]=4 10288 B11R1.28 FCCCNC1CCOCC1 34a_100000741149_100011934791 [0,0,0,1,0,0|3,0,0]=4 10289 B11R1.28 FCCCNC1CCSCC1 2230a_100000748639_100011934791 [0,0,0,1,0,0|3,0,0]=4 10290 B11R1.28 FCCCNC1CCSCC1 270004a_100015189416_100000203788 [0,0,0,1,0,0|3,0,0]=4 10291 B11R1.28 FCCCNC1CCSCC1 34a_100000748639_100011934791 [0,0,0,1,0,0|3,0,0]=4 10292 B11R1.28 FCCCNC1CCSCC1 34a_100015189416_100000069128 [0,0,0,1,0,0|3,0,0]=4 10293 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [0,0,0,1,0,0|2,0,0]=3 10294 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [0,0,0,1,0,0|2,0,0]=3 10295 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [0,0,0,1,0,0|2,0,0]=3 10296 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [0,0,0,1,0,0|2,0,0]=3 10297 B11R1.28 FCCCOC1CCCOC1 34a_100000754041_100011934791 [0,0,0,1,0,0|3,0,0]=4 10298 B11R1.28 FCCCOC1CCCOC1 34a_100000759539_100000693364 [0,0,0,1,0,0|3,0,0]=4 10299 B11R1.28 FCCCOC1CCCSC1 7a_100015962668_100011934791 [0,0,0,1,0,0|3,0,0]=4 10300 B11R1.28 FCCCOC1CCOCC1 34a_100000744328_100011934791 [0,0,0,1,0,0|3,0,0]=4 10301 B11R1.28 FCCCOC1CCSCC1 34a_100000731022_100011934791 [0,0,0,1,0,0|3,0,0]=4 10302 B11R1.28 FCCCOC1CCSCC1 34a_100000759539_100000069128 [0,0,0,1,0,0|3,0,0]=4 10303 B11R1.28 FCCCOC1CCSCC1 7a_100000731022_100011934791 [0,0,0,1,0,0|3,0,0]=4 10304 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [0,0,0,1,0,0|2,0,0]=3 10305 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [0,0,0,1,0,0|2,0,0]=3 10306 B11R1.28 FCCCSC1CCCOC1 62a_100011934791_100000693364 [0,0,0,1,0,0|3,0,0]=4 10307 B11R1.28 FCCCSC1CCOCC1 62a_100011934791_100011324220 [0,0,0,1,0,0|3,0,0]=4 10308 B11R1.28 FCCCSC1CCSCC1 62a_100011934791_100000069128 [0,0,0,1,0,0|3,0,0]=4 10309 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,0,0,1,0,0|2,0,0]=3 10310 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,0,0,1,0,0|2,0,0]=3 10311 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,0,0,1,0,0|2,0,0]=3 10312 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,0,0,1,0,0|2,0,0]=3 10313 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [0,0,0,1,0,0|2,0,0]=3 10314 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [0,0,0,1,0,0|2,0,0]=3 10315 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [0,0,0,1,0,0|2,0,0]=3 10316 B11R1.28 FCCNCC1CCCOC1 2230a_100000720124_100011217306 [0,0,0,1,0,0|3,0,0]=4 10317 B11R1.28 FCCNCC1CCCOC1 34a_100000720124_100011217306 [0,0,0,1,0,0|3,0,0]=4 10318 B11R1.28 FCCNCC1CCCOC1 34a_100000724931_100000741521 [0,0,0,1,0,0|3,0,0]=4 10319 B11R1.28 FCCNCC1CCOCC1 2230a_100000746373_100011217306 [0,0,0,1,0,0|3,0,0]=4 10320 B11R1.28 FCCNCC1CCOCC1 269862a_100000724931_100000749017 [0,0,0,1,0,0|3,0,0]=4 10321 B11R1.28 FCCNCC1CCOCC1 34a_100000724931_100000754603 [0,0,0,1,0,0|3,0,0]=4 10322 B11R1.28 FCCNCC1CCOCC1 34a_100000746373_100011217306 [0,0,0,1,0,0|3,0,0]=4 10323 B11R1.28 FCCNCC1CCSCC1 2230a_100015188806_100011217306 [0,0,0,1,0,0|3,0,0]=4 10324 B11R1.28 FCCNCC1CCSCC1 269862a_100000724931_100000067145 [0,0,0,1,0,0|3,0,0]=4 10325 B11R1.28 FCCNCC1CCSCC1 34a_100015188806_100011217306 [0,0,0,1,0,0|3,0,0]=4 10326 B11R1.28 FCCNC[C@H]1COCCO1 2230a_100010981119_100011217306 [0,0,0,1,0,0|3,0,0]=4 10327 B11R1.28 FCCNC[C@H]1COCCO1 34a_100010981119_100011217306 [0,0,0,1,0,0|3,0,0]=4 10328 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [0,0,0,1,0,0|2,0,0]=3 10329 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [0,0,0,1,0,0|2,0,0]=3 10330 B11R1.28 FCCOCC1CCCCN1 34a_100000210821_100011217306 [0,0,0,1,0,0|3,0,0]=4 10331 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [0,0,0,1,0,0|2,0,0]=3 10332 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [0,0,0,1,0,0|2,0,0]=3 10333 B11R1.28 FCCOCC1CCCNC1 34a_100000211344_100011217306 [0,0,0,1,0,0|3,0,0]=4 10334 B11R1.28 FCCOCC1CCCOC1 34a_100000741520_100011217306 [0,0,0,1,0,0|3,0,0]=4 10335 B11R1.28 FCCOCC1CCNCC1 34a_100000738675_100011217306 [0,0,0,1,0,0|3,0,0]=4 10336 B11R1.28 FCCOCC1CCOCC1 34a_100000749013_100011217306 [0,0,0,1,0,0|3,0,0]=4 10337 B11R1.28 FCCOCC1CCSCC1 34a_100000070558_100011217306 [0,0,0,1,0,0|3,0,0]=4 10338 B11R1.28 FCCOCC1CCSCC1 7a_100000070558_100011217306 [0,0,0,1,0,0|3,0,0]=4 10339 B11R1.28 FCCOC[C@@H]1CNCCO1 34a_100015189573_100011217306 [0,0,0,1,0,0|3,0,0]=4 10340 B11R1.28 FCCOC[C@H]1COCCO1 34a_100009875890_100011217306 [0,0,0,1,0,0|3,0,0]=4 10341 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [0,0,0,1,0,0|2,0,0]=3 10342 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [0,0,0,1,0,0|2,0,0]=3 10343 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [0,0,0,1,0,0|2,0,0]=3 10344 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [0,0,0,1,0,0|2,0,0]=3 10345 B11R1.28 FCCSCC1CCCOC1 62a_100000741521_100011217306 [0,0,0,1,0,0|3,0,0]=4 10346 B11R1.28 FCCSCC1CCCOC1 62a_100011217306_100000741521 [0,0,0,1,0,0|3,0,0]=4 10347 B11R1.28 FCCSCC1CCOCC1 62a_100000754603_100011217306 [0,0,0,1,0,0|3,0,0]=4 10348 B11R1.28 FCCSCC1CCOCC1 62a_100011217306_100000749018 [0,0,0,1,0,0|3,0,0]=4 10349 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,0,0,1,0,0|2,0,0]=3 10350 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [0,0,0,1,0,0|2,0,0]=3 10351 B11R1.28 FCNCCC1CCOCC1 34a_100000755988_100015361967 [0,0,0,1,0,0|3,0,0]=4 10352 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [0,0,0,1,0,0|2,0,0]=3 10353 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [0,0,0,1,0,0|2,0,0]=3 10354 B11R1.28 FCOCCC1CCCCN1 34a_100000211664_100015361967 [0,0,0,1,0,0|3,0,0]=4 10355 B11R1.28 FCOCCC1CCCNC1 34a_100000752241_100015361967 [0,0,0,1,0,0|3,0,0]=4 10356 B11R1.28 FCOCCC1CCNCC1 34a_100015190746_100015361967 [0,0,0,1,0,0|3,0,0]=4 10357 B11R1.28 FCOCCC1CCOCC1 34a_100011933979_100015361967 [0,0,0,1,0,0|3,0,0]=4 10358 B11R1.28 FCOCCC1CCOCC1 7a_100011933979_100015361967 [0,0,0,1,0,0|3,0,0]=4 10359 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [0,0,0,1,0,0|2,0,0]=3 10360 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [0,0,0,1,0,0|2,0,0]=3 10361 B11R1.28 FCSCCC1CCOCC1 62a_100011934994_100015361967 [0,0,0,1,0,0|3,0,0]=4 10362 B11R1.28 FCSCCC1CCOCC1 62a_100015361967_100011934994 [0,0,0,1,0,0|3,0,0]=4 10363 B11R1.28 FCSCCC1OCCCO1 62a_100000764188_100015361967 [0,0,0,1,0,0|3,0,0]=4 10364 B11R1.28 FCSCCC1OCCCO1 62a_100015361967_100000764188 [0,0,0,1,0,0|3,0,0]=4 10365 B11R1.28 FCSCCN1CCCCC1 62a_100000739454_100015361967 [0,0,0,1,0,0|3,0,0]=4 10366 B11R1.28 FCSCCN1CCCCC1 62a_100015361967_100000739454 [0,0,0,1,0,0|3,0,0]=4 10367 B11R1.28 FCSCOC1CCCCC1 62a_100011935260_100015361967 [0,0,0,1,0,0|3,0,0]=4 10368 B11R1.28 FCSCOC1CCCCC1 62a_100015361967_100011935260 [0,0,0,1,0,0|3,0,0]=4 10369 B11R1.28 N#CCCNC1CCCCC1 2230a_100000182618_100011215226 [0,0,0,1,0,0|2,0,1]=4 10370 B11R1.28 N#CCCNC1CCCCC1 270004a_100000720768_100000210434 [0,0,0,1,0,0|2,0,1]=4 10371 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [0,0,0,1,0,0|2,0,1]=4 10372 B11R1.28 N#CCCSC1CCCCC1 62a_100000210327_100011215226 [0,0,0,1,0,0|2,0,1]=4 10373 B11R1.28 N#CCCSC1CCCCC1 62a_100011215226_100000210327 [0,0,0,1,0,0|2,0,1]=4 10374 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [0,0,0,1,0,0|2,0,1]=4 10375 B11R1.28 N#CCNCC1CCCCO1 2230a_100000174945_100011215382 [0,0,0,1,0,0|2,0,1]=4 10376 B11R1.28 N#CCOCC1CCCCC1 7a_100000212181_100011215382 [0,0,0,1,0,0|2,0,1]=4 10377 B11R1.28 N#CCOCC1CCCCO1 7a_100000211370_100011215382 [0,0,0,1,0,0|2,0,1]=4 10378 B11R1.28 N#CCSCC1CCCCC1 62a_100000211423_100011215382 [0,0,0,1,0,0|2,0,1]=4 10379 B11R1.28 N#CCSCC1CCCCC1 62a_100011215382_100000211423 [0,0,0,1,0,0|2,0,1]=4 10380 B11R1.28 N#CCSCC1CCCCO1 62a_100000211543_100011215382 [0,0,0,1,0,0|2,0,1]=4 10381 B11R1.28 N#CCSCC1CCCCO1 62a_100011215382_100000211543 [0,0,0,1,0,0|2,0,1]=4 10382 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [0,0,0,1,0,0|2,0,0]=3 10383 B11R1.28 NCCCOC1CCCOC1 34a_100000182051_100000693364 [0,0,0,1,0,0|3,0,0]=4 10384 B11R1.28 NCCCOC1CCSCC1 34a_100000182051_100000069128 [0,0,0,1,0,0|3,0,0]=4 10385 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [0,0,0,1,0,0|2,0,0]=3 10386 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [0,0,0,1,0,0|2,0,0]=3 10387 B11R1.28 NCCOCC1CCCOC1 34a_100000210304_100000741521 [0,0,0,1,0,0|3,0,0]=4 10388 B11R1.28 NCCOCC1CCOCC1 34a_100000210304_100000754603 [0,0,0,1,0,0|3,0,0]=4 10389 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,0,0,1,0,0|3,0,0]=4 10390 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,0,0,1,0,0|1,0,2]=4 10391 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,0,0,1,0,0|1,0,2]=4 10392 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,0,0,1,0,0|2,0,1]=4 10393 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,0,0,1,0,0|2,0,1]=4 10394 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,0,0,1,0,0|1,0,2]=4 10395 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,0,0,1,0,0|1,0,2]=4 10396 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,0,0,1,0,0|2,0,1]=4 10397 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,0,0,1,0,0|2,0,1]=4 10398 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,0,0,1,0,0|1,0,2]=4 10399 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,0,0,1,0,0|1,0,2]=4 10400 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,0,0,1,0,0|2,0,1]=4 10401 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,0,0,1,0,0|2,0,1]=4 10402 B11R1.28 OCCCCN1CC=CCC1 2230a_100000698166_100000210776 [0,0,0,1,0,0|1,0,2]=4 10403 B11R1.28 OCCCCN1CC=CCC1 269982a_100000698166_100000210776 [0,0,0,1,0,0|1,0,2]=4 10404 B11R1.28 OCCCCN1CC=CCC1 34a_100000698166_100011216708 [0,0,0,1,0,0|1,0,2]=4 10405 B11R1.28 OCCCCN1CCCOC1 2230a_100000131196_100000210776 [0,0,0,1,0,0|2,0,0]=3 10406 B11R1.28 OCCCCN1CCCOC1 269982a_100000131196_100000210776 [0,0,0,1,0,0|2,0,0]=3 10407 B11R1.28 OCCCCN1CCCOC1 34a_100000131196_100011216708 [0,0,0,1,0,0|2,0,0]=3 10408 B11R1.28 OCCCCN1CCOCC1 2230a_100015191051_100000210776 [0,0,0,1,0,0|2,0,0]=3 10409 B11R1.28 OCCCCN1CCOCC1 269982a_100015191051_100000210776 [0,0,0,1,0,0|2,0,0]=3 10410 B11R1.28 OCCCCN1CCOCC1 34a_100015191051_100011216708 [0,0,0,1,0,0|2,0,0]=3 10411 B11R1.28 OCCCCN1CCSCC1 2230a_100000737611_100000210776 [0,0,0,1,0,0|2,0,0]=3 10412 B11R1.28 OCCCCN1CCSCC1 269982a_100000737611_100000210776 [0,0,0,1,0,0|2,0,0]=3 10413 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,0,0,1,0,0|1,0,0]=2 10414 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,0,0,1,0,0|1,0,0]=2 10415 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,0,0,1,0,0|1,0,0]=2 10416 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [0,0,0,1,0,0|2,0,0]=3 10417 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [0,0,0,1,0,0|2,0,0]=3 10418 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [0,0,0,1,0,0|2,0,0]=3 10419 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [0,0,0,1,0,0|2,0,0]=3 10420 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [0,0,0,1,0,0|2,0,0]=3 10421 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [0,0,0,1,0,0|2,0,0]=3 10422 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [0,0,0,1,0,0|2,0,0]=3 10423 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [0,0,0,1,0,0|2,0,0]=3 10424 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [0,0,0,1,0,0|2,0,0]=3 10425 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [0,0,0,1,0,0|2,0,0]=3 10426 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [0,0,0,1,0,0|2,0,0]=3 10427 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,0,0,1,0,0|1,0,2]=4 10428 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [0,0,0,1,0,0|1,0,2]=4 10429 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,0,0,1,0,0|1,0,0]=2 10430 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,0,0,1,0,0|1,0,0]=2 10431 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [0,0,0,1,0,0|2,0,0]=3 10432 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [0,0,0,1,0,0|2,0,0]=3 10433 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [0,0,0,1,0,0|2,0,0]=3 10434 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [0,0,0,1,0,0|2,0,0]=3 10435 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [0,0,0,1,0,0|2,0,0]=3 10436 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [0,0,0,1,0,0|2,0,0]=3 10437 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [0,0,0,1,0,0|1,0,2]=4 10438 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [0,0,0,1,0,0|1,0,2]=4 10439 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,0,0,1,0,0|1,0,0]=2 10440 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,0,0,1,0,0|1,0,0]=2 10441 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [0,0,0,1,0,0|2,0,0]=3 10442 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [0,0,0,1,0,0|2,0,0]=3 10443 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [0,0,0,1,0,0|2,0,0]=3 10444 B11R1.28 OCCNCC1CC=CCC1 270004a_100000210304_100000189434 [0,0,0,1,0,0|1,0,2]=4 10445 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,0,0,1,0,0|1,0,0]=2 10446 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,0,0,1,0,0|1,0,0]=2 10447 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,0,0,1,0,0|1,0,0]=2 10448 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,0,0,1,0,0|1,0,0]=2 10449 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,0,0,1,0,0|1,0,0]=2 10450 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [0,0,0,1,0,0|2,0,0]=3 10451 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [0,0,0,1,0,0|2,0,0]=3 10452 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [0,0,0,1,0,0|2,0,0]=3 10453 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [0,0,0,1,0,0|2,0,0]=3 10454 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [0,0,0,1,0,0|2,0,0]=3 10455 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [0,0,0,1,0,0|2,0,0]=3 10456 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [0,0,0,1,0,0|2,0,0]=3 10457 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [0,0,0,1,0,0|2,0,0]=3 10458 B11R1.28 OCCNCC1CCOCC1 2230a_100000746373_100000211926 [0,0,0,1,0,0|2,0,0]=3 10459 B11R1.28 OCCNCC1CCOCC1 2230a_100016997473_100000754603 [0,0,0,1,0,0|2,0,0]=3 10460 B11R1.28 OCCNCC1CCOCC1 269862a_100000210304_100000749017 [0,0,0,1,0,0|2,0,0]=3 10461 B11R1.28 OCCNCC1CCOCC1 34a_100000746373_100000211926 [0,0,0,1,0,0|2,0,0]=3 10462 B11R1.28 OCCNCC1CCOCC1 34a_100016990907_100000754603 [0,0,0,1,0,0|2,0,0]=3 10463 B11R1.28 OCCNCC1CCSCC1 2230a_100015188806_100000211926 [0,0,0,1,0,0|2,0,0]=3 10464 B11R1.28 OCCNCC1CCSCC1 269862a_100000210304_100000067145 [0,0,0,1,0,0|2,0,0]=3 10465 B11R1.28 OCCNCC1CCSCC1 270004a_100000210304_100000067145 [0,0,0,1,0,0|2,0,0]=3 10466 B11R1.28 OCCNCC1CCSCC1 34a_100015188806_100000211926 [0,0,0,1,0,0|2,0,0]=3 10467 B11R1.28 OCCNC[C@H]1COCCO1 2230a_100010981119_100000211926 [0,0,0,1,0,0|3,0,0]=4 10468 B11R1.28 OCCNC[C@H]1COCCO1 34a_100010981119_100000211926 [0,0,0,1,0,0|3,0,0]=4 10469 B11R1.28 OCCNN=C1CCCCC1 4a_100000210001_100000210434 [0,0,0,1,0,0|2,0,1]=4 10470 B11R1.28 OCCOCC1CC=CCC1 34a_100000210713_100000211926 [0,0,0,1,0,0|1,0,2]=4 10471 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,0,0,1,0,0|1,0,0]=2 10472 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,0,0,1,0,0|1,0,0]=2 10473 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [0,0,0,1,0,0|2,0,0]=3 10474 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [0,0,0,1,0,0|2,0,0]=3 10475 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [0,0,0,1,0,0|2,0,0]=3 10476 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [0,0,0,1,0,0|2,0,0]=3 10477 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [0,0,0,1,0,0|2,0,0]=3 10478 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [0,0,0,1,0,0|2,0,0]=3 10479 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [0,0,0,1,0,0|2,0,0]=3 10480 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [0,0,0,1,0,0|2,0,0]=3 10481 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [0,0,0,1,0,0|2,0,0]=3 10482 B11R1.28 OCCOC[C@@H]1CNCCO1 34a_100015189573_100000211926 [0,0,0,1,0,0|3,0,0]=4 10483 B11R1.28 OCCOC[C@@H]1COCCN1 34a_100000717676_100000211926 [0,0,0,1,0,0|3,0,0]=4 10484 B11R1.28 OCCOC[C@H]1COCCO1 34a_100009875890_100000211926 [0,0,0,1,0,0|3,0,0]=4 10485 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,0,0,1,0,0|1,0,0]=2 10486 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,0,0,1,0,0|1,0,0]=2 10487 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [0,0,0,1,0,0|2,0,0]=3 10488 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [0,0,0,1,0,0|2,0,0]=3 10489 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [0,0,0,1,0,0|2,0,0]=3 10490 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [0,0,0,1,0,0|2,0,0]=3 10491 B11R1.28 OCCSCC1CCOCC1 62a_100000211926_100000749018 [0,0,0,1,0,0|2,0,0]=3 10492 B11R1.28 OCCSCC1CCOCC1 62a_100000754603_100000211926 [0,0,0,1,0,0|2,0,0]=3 10493 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [0,0,0,1,0,0|2,0,0]=3 10494 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [0,0,0,1,0,0|2,0,0]=3 10495 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [0,0,0,1,0,0|3,0,0]=4 10496 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,0,0,1,0,0|2,0,0]=3 10497 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,0,0,1,0,0|2,0,0]=3 10498 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [0,0,0,1,0,0|2,0,0]=3 10499 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [0,0,0,1,0,0|3,0,0]=4 10500 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 10501 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [0,0,0,1,0,0|3,0,0]=4 10502 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,0,0,1,0,0|3,0,0]=4 10503 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,0,0,1,0,0|3,0,0]=4 10504 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,0,0,1,0,0|3,0,0]=4 10505 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [0,0,0,1,0,0|2,0,0]=3 10506 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [0,0,0,1,0,0|2,0,0]=3 10507 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [0,0,0,1,0,0|2,0,0]=3 10508 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [0,0,0,1,0,0|2,0,0]=3 10509 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [0,0,0,1,0,0|3,0,0]=4 10510 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [0,0,0,1,0,0|3,0,0]=4 10511 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [0,0,0,1,0,0|3,0,0]=4 10512 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [0,0,0,1,0,0|3,0,0]=4 10513 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [0,0,0,1,0,0|2,0,0]=3 10514 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [0,0,0,1,0,0|2,0,0]=3 10515 B11R1.41 C#CC1CCCCN1CCC 2230a_200020621307_100000210303 [0,0,0,1,0,0|2,0,1]=4 10516 B11R1.41 C#CC1CCCCN1CCC 269982a_200020621307_100000210303 [0,0,0,1,0,0|2,0,1]=4 10517 B11R1.41 C#CC1CCCCN1CCC 34a_200020621307_100000210303 [0,0,0,1,0,0|2,0,1]=4 10518 B11R1.41 C#CC1CCCCN1CCO 2230a_200020621307_100000211926 [0,0,0,1,0,0|1,0,2]=4 10519 B11R1.41 C#CC1CCCCN1CCO 269982a_200020621307_100000211926 [0,0,0,1,0,0|1,0,2]=4 10520 B11R1.41 C#CC1CCCCN1CCO 34a_200020621307_100000211926 [0,0,0,1,0,0|1,0,2]=4 10521 B11R1.41 C#CCN1CCCCC1CC 2230a_100000210034_100000038162 [0,0,0,1,0,0|2,0,1]=4 10522 B11R1.41 C#CCN1CCCCC1CC 34a_100000210034_100000184674 [0,0,0,1,0,0|2,0,1]=4 10523 B11R1.41 C#CCN1CCCCC1CO 2230a_100000210821_100000038162 [0,0,0,1,0,0|1,0,2]=4 10524 B11R1.41 C#CCN1CCCCC1CO 34a_100000210821_100000184674 [0,0,0,1,0,0|1,0,2]=4 10525 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,0,0,1,0,0|2,0,1]=4 10526 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,0,0,1,0,0|2,0,1]=4 10527 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [0,0,0,1,0,0|2,0,1]=4 10528 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [0,0,0,1,0,0|2,0,1]=4 10529 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [0,0,0,1,0,0|2,0,1]=4 10530 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [0,0,0,1,0,0|1,0,2]=4 10531 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [0,0,0,1,0,0|1,0,2]=4 10532 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [0,0,0,1,0,0|1,0,2]=4 10533 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [0,0,0,1,0,0|2,0,0]=3 10534 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [0,0,0,1,0,0|2,0,0]=3 10535 B11R1.41 CCC1CCCCN1CC#N 2230a_100000210034_100011215382 [0,0,0,1,0,0|2,0,1]=4 10536 B11R1.41 CCC1CCCCN1CC#N 269982a_100000210034_100011214920 [0,0,0,1,0,0|2,0,1]=4 10537 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,0,0,1,0,0|1,0,2]=4 10538 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,0,0,1,0,0|1,0,2]=4 10539 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,0,0,1,0,0|1,0,2]=4 10540 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [0,0,0,1,0,0|2,0,0]=3 10541 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [0,0,0,1,0,0|2,0,0]=3 10542 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [0,0,0,1,0,0|2,0,0]=3 10543 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,0,0,1,0,0|1,0,0]=2 10544 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,0,0,1,0,0|1,0,0]=2 10545 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,0,0,1,0,0|1,0,0]=2 10546 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [0,0,0,1,0,0|3,0,0]=4 10547 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [0,0,0,1,0,0|3,0,0]=4 10548 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [0,0,0,1,0,0|3,0,0]=4 10549 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [0,0,0,1,0,0|3,0,0]=4 10550 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [0,0,0,1,0,0|3,0,0]=4 10551 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [0,0,0,1,0,0|2,0,0]=3 10552 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [0,0,0,1,0,0|2,0,0]=3 10553 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,0,0,1,0,0|2,0,0]=3 10554 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,0,0,1,0,0|2,0,0]=3 10555 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,0,0,1,0,0|2,0,0]=3 10556 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,0,0,1,0,0|2,0,0]=3 10557 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [0,0,0,1,0,0|2,0,0]=3 10558 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [0,0,0,1,0,0|2,0,0]=3 10559 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [0,0,0,1,0,0|2,0,0]=3 10560 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [0,0,0,1,0,0|2,0,0]=3 10561 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [0,0,0,1,0,0|2,0,0]=3 10562 B11R1.41 CCCC1COCCN1CC 2230a_102495339903_100000210202 [0,0,0,1,0,0|3,0,0]=4 10563 B11R1.41 CCCC1COCCN1CC 269982a_102495339903_100000204670 [0,0,0,1,0,0|3,0,0]=4 10564 B11R1.41 CCCC1COCCN1CC 34a_102495339903_100000210202 [0,0,0,1,0,0|3,0,0]=4 10565 B11R1.41 CCCC1COCCN1CF 269982a_102495339903_100015361967 [0,0,0,1,0,0|3,0,0]=4 10566 B11R1.41 CCCC1COCCN1CF 34a_102495339903_100015361967 [0,0,0,1,0,0|3,0,0]=4 10567 B11R1.41 CCCN1CCCCC1C#N 34a_100016989756_100000210303 [0,0,0,1,0,0|2,0,1]=4 10568 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [0,0,0,1,0,0|2,0,0]=3 10569 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [0,0,0,1,0,0|2,0,0]=3 10570 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [0,0,0,1,0,0|2,0,0]=3 10571 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,0,0,1,0,0|1,0,0]=2 10572 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,0,0,1,0,0|1,0,0]=2 10573 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,0,0,1,0,0|1,0,0]=2 10574 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [0,0,0,1,0,0|3,0,0]=4 10575 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [0,0,0,1,0,0|3,0,0]=4 10576 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [0,0,0,1,0,0|3,0,0]=4 10577 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [0,0,0,1,0,0|2,0,0]=3 10578 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [0,0,0,1,0,0|2,0,0]=3 10579 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [0,0,0,1,0,0|2,0,0]=3 10580 B11R1.41 CCN1CCCCC1CC#N 2230a_100000133382_100000210202 [0,0,0,1,0,0|2,0,1]=4 10581 B11R1.41 CCN1CCCCC1CC#N 34a_100000133382_100000210202 [0,0,0,1,0,0|2,0,1]=4 10582 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,0,0,1,0,0|1,0,0]=2 10583 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,0,0,1,0,0|1,0,0]=2 10584 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,0,0,1,0,0|1,0,0]=2 10585 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [0,0,0,1,0,0|3,0,0]=4 10586 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [0,0,0,1,0,0|3,0,0]=4 10587 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [0,0,0,1,0,0|3,0,0]=4 10588 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [0,0,0,1,0,0|3,0,0]=4 10589 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,0,0,1,0,0|3,0,0]=4 10590 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,0,0,1,0,0|3,0,0]=4 10591 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,0,0,1,0,0|3,0,0]=4 10592 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,0,0,1,0,0|3,0,0]=4 10593 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,0,0,1,0,0|3,0,0]=4 10594 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,0,0,1,0,0|3,0,0]=4 10595 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,0,0,1,0,0|3,0,0]=4 10596 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,0,0,1,0,0|2,0,0]=3 10597 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,0,0,1,0,0|2,0,0]=3 10598 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,0,0,1,0,0|1,0,0]=2 10599 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,0,0,1,0,0|3,0,0]=4 10600 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,0,0,1,0,0|3,0,0]=4 10601 B11R1.41 CCNC1CCOCC1CO 2230a_214813039666_100000210202 [0,0,0,1,0,0|2,0,0]=3 10602 B11R1.41 CCNC1CCOCC1CO 34a_214813039666_100000210202 [0,0,0,1,0,0|2,0,0]=3 10603 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,0,0,1,0,0|2,0,0]=3 10604 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,0,0,1,0,0|2,0,0]=3 10605 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [0,0,0,1,0,0|2,0,0]=3 10606 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [0,0,0,1,0,0|3,0,0]=4 10607 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [0,0,0,1,0,0|3,0,0]=4 10608 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,0,0,1,0,0|3,0,0]=4 10609 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,0,0,1,0,0|3,0,0]=4 10610 B11R1.41 CC[C@H]1COCCN1CCF 2230a_100016988097_100011217306 [0,0,0,1,0,0|3,0,0]=4 10611 B11R1.41 CC[C@H]1COCCN1CCF 269982a_100016988097_100011217306 [0,0,0,1,0,0|3,0,0]=4 10612 B11R1.41 CC[C@H]1COCCN1CCF 34a_100016988097_100011217306 [0,0,0,1,0,0|3,0,0]=4 10613 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [0,0,0,1,0,0|2,0,0]=3 10614 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [0,0,0,1,0,0|2,0,0]=3 10615 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [0,0,0,1,0,0|2,0,0]=3 10616 B11R1.41 CNC1CCCCC1CC#N 270004a_106832991635_100009866218 [0,0,0,1,0,0|2,0,1]=4 10617 B11R1.41 CN[C@@H]1CCCC[C@H]1OCF 34a_100000708425_100015361967 [0,0,0,1,0,0|3,0,0]=4 10618 B11R1.41 COC1CCCCC1NCF 34a_100011208099_100015361967 [0,0,0,1,0,0|3,0,0]=4 10619 B11R1.41 COCC1CCCCN1CF 269982a_100015184032_100015361967 [0,0,0,1,0,0|3,0,0]=4 10620 B11R1.41 COCC1CCCCN1CF 34a_100015184032_100015361967 [0,0,0,1,0,0|3,0,0]=4 10621 B11R1.41 COCN1CCCCC1CO 2230a_100000210821_100000766300 [0,0,0,1,0,0|2,0,0]=3 10622 B11R1.41 COCN1CCCCC1CO 269982a_100000210821_100000766300 [0,0,0,1,0,0|2,0,0]=3 10623 B11R1.41 COCN1CCOC[C@H]1CO 2230a_100000717676_100000766300 [0,0,0,1,0,0|3,0,0]=4 10624 B11R1.41 COCN1CCOC[C@H]1CO 269982a_100000717676_100000766300 [0,0,0,1,0,0|3,0,0]=4 10625 B11R1.41 CO[C@H]1CCCC[C@@H]1OCF 34a_200009815850_100015361967 [0,0,0,1,0,0|3,0,0]=4 10626 B11R1.41 CO[C@H]1CCCC[C@@H]1OCF 7a_200009815850_100015361967 [0,0,0,1,0,0|3,0,0]=4 10627 B11R1.41 CSCN1CCCCC1CO 2230a_100000210821_100011218213 [0,0,0,1,0,0|2,0,0]=3 10628 B11R1.41 CSCN1CCCCC1CO 269982a_100000210821_100011218213 [0,0,0,1,0,0|2,0,0]=3 10629 B11R1.41 CSCN1CCCCC1CO 34a_100000210821_100011218213 [0,0,0,1,0,0|2,0,0]=3 10630 B11R1.41 CSCN1CCOC[C@H]1CO 2230a_100000717676_100011218213 [0,0,0,1,0,0|3,0,0]=4 10631 B11R1.41 CSCN1CCOC[C@H]1CO 269982a_100000717676_100011218213 [0,0,0,1,0,0|3,0,0]=4 10632 B11R1.41 CSCN1CCOC[C@H]1CO 34a_100000717676_100011218213 [0,0,0,1,0,0|3,0,0]=4 10633 B11R1.41 N#CC1CCCCN1CCO 34a_100016989756_100000211926 [0,0,0,1,0,0|2,0,1]=4 10634 B11R1.41 N#CCN1CCCCC1CO 2230a_100000210821_100011215382 [0,0,0,1,0,0|2,0,1]=4 10635 B11R1.41 N#CCN1CCCCC1CO 269982a_100000210821_100011214920 [0,0,0,1,0,0|2,0,1]=4 10636 B11R1.41 NCC1CCCCC1OCF 34a_100011216029_100015361967 [0,0,0,1,0,0|3,0,0]=4 10637 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,0,0,1,0,0|2,0,1]=4 10638 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,0,0,1,0,0|2,0,1]=4 10639 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,0,0,1,0,0|2,0,1]=4 10640 B11R1.41 OCC1CCCCN1CCF 2230a_100000210821_100011217306 [0,0,0,1,0,0|2,0,0]=3 10641 B11R1.41 OCC1CCCCN1CCF 269982a_100000210821_100011217306 [0,0,0,1,0,0|2,0,0]=3 10642 B11R1.41 OCC1CCCCN1CCF 34a_100000210821_100011217306 [0,0,0,1,0,0|2,0,0]=3 10643 B11R1.41 OCC1COCCC1NCF 34a_214813039666_100015361967 [0,0,0,1,0,0|3,0,0]=4 10644 B11R1.41 OCCC1CCCCN1CF 269982a_100000211664_100015361967 [0,0,0,1,0,0|2,0,0]=3 10645 B11R1.41 OCCC1CCCCN1CF 34a_100000211664_100015361967 [0,0,0,1,0,0|2,0,0]=3 10646 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [0,0,0,1,0,0|2,0,0]=3 10647 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [0,0,0,1,0,0|2,0,0]=3 10648 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [0,0,0,1,0,0|2,0,0]=3 10649 B11R1.41 OCCN1CCOC[C@H]1CO 2230a_100000717676_100000211926 [0,0,0,1,0,0|3,0,0]=4 10650 B11R1.41 OCCN1CCOC[C@H]1CO 269982a_100000717676_100000211926 [0,0,0,1,0,0|3,0,0]=4 10651 B11R1.41 OCCN1CCOC[C@H]1CO 34a_100000717676_100000211926 [0,0,0,1,0,0|3,0,0]=4 10652 B11R1.41 OC[C@@H]1COCCN1CCF 2230a_100000717676_100011217306 [0,0,0,1,0,0|3,0,0]=4 10653 B11R1.41 OC[C@@H]1COCCN1CCF 269982a_100000717676_100011217306 [0,0,0,1,0,0|3,0,0]=4 10654 B11R1.41 OC[C@@H]1COCCN1CCF 34a_100000717676_100011217306 [0,0,0,1,0,0|3,0,0]=4 10655 B11R1.46 C#CCCCOCC1CC1C 34a_100000744939_100000695029 [0,0,0,1,0,0|2,0,1]=4 10656 B11R1.46 C#CCCCOCC1CC1C 7a_100000744939_100011215417 [0,0,0,1,0,0|2,0,1]=4 10657 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,0,0,1,0,0|2,0,1]=4 10658 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,0,0,1,0,0|2,0,1]=4 10659 B11R1.46 CC1CC1COCC#CCO 34a_100000744939_200000047223 [0,0,0,1,0,0|1,0,2]=4 10660 B11R1.46 CC1CC1COCC#CCO 7a_100000744939_200000047223 [0,0,0,1,0,0|1,0,2]=4 10661 B11R1.46 CC1CC1COCCCC#N 7a_100000744939_100000687738 [0,0,0,1,0,0|2,0,1]=4 10662 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,0,0,1,0,0|1,0,2]=4 10663 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,0,0,1,0,0|2,0,0]=3 10664 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,0,0,1,0,0|2,0,0]=3 10665 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,0,0,1,0,0|1,0,0]=2 10666 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,0,0,1,0,0|1,0,0]=2 10667 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,0,0,1,0,0|2,0,0]=3 10668 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,0,0,1,0,0|2,0,0]=3 10669 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,0,0,1,0,0|2,0,0]=3 10670 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,0,0,1,0,0|2,0,0]=3 10671 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,0,0,1,0,0|2,0,0]=3 10672 B11R1.46 CCCCOCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011995733 [0,0,0,1,0,0|3,0,0]=4 10673 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 2230a_100025746932_100011995733 [0,0,0,1,0,0|3,0,0]=4 10674 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 34a_100025746932_100011995733 [0,0,0,1,0,0|3,0,0]=4 10675 B11R1.46 CCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215938 [0,0,0,1,0,0|3,0,0]=4 10676 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215938 [0,0,0,1,0,0|3,0,0]=4 10677 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215938 [0,0,0,1,0,0|3,0,0]=4 10678 B11R1.46 CCOCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012232248 [0,0,0,1,0,0|3,0,0]=4 10679 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100012232248 [0,0,0,1,0,0|3,0,0]=4 10680 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 34a_100025746932_100012232248 [0,0,0,1,0,0|3,0,0]=4 10681 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [0,0,0,1,0,0|3,0,0]=4 10682 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [0,0,0,1,0,0|3,0,0]=4 10683 B11R1.46 CCSCCOCC1CC1C 34a_100000744939_100000757381 [0,0,0,1,0,0|3,0,0]=4 10684 B11R1.46 CCSCCOCC1CC1C 7a_100000744939_100000757381 [0,0,0,1,0,0|3,0,0]=4 10685 B11R1.46 COCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730899 [0,0,0,1,0,0|3,0,0]=4 10686 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000730899 [0,0,0,1,0,0|3,0,0]=4 10687 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000755781 [0,0,0,1,0,0|3,0,0]=4 10688 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,0,0,1,0,0|3,0,0]=4 10689 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,0,0,1,0,0|3,0,0]=4 10690 B11R1.46 FCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729378 [0,0,0,1,0,0|3,0,0]=4 10691 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729378 [0,0,0,1,0,0|3,0,0]=4 10692 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729378 [0,0,0,1,0,0|3,0,0]=4 10693 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [0,0,0,1,0,0|2,0,0]=3 10694 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [0,0,0,1,0,0|2,0,0]=3 10695 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [0,0,0,1,0,0|2,0,0]=3 10696 B11R1.46 OCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215305 [0,0,0,1,0,0|3,0,0]=4 10697 B11R1.46 OCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215305 [0,0,0,1,0,0|3,0,0]=4 10698 B11R1.46 OCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000692535 [0,0,0,1,0,0|3,0,0]=4 10699 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [0,0,0,1,0,0|2,0,0]=3 10700 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [0,0,0,1,0,0|3,0,0]=4 10701 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [0,0,0,1,0,0|3,0,0]=4 10702 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [0,0,0,1,0,0|2,0,0]=3 10703 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [0,0,0,1,0,0|2,0,0]=3 10704 B11R1.47 BrCCCCOCC1COC1 34a_100011216708_100010264016 [0,0,0,1,0,0|3,0,0]=4 10705 B11R1.47 BrCCOCCOC1CCC1 34a_100000692535_100000749161 [0,0,0,1,0,0|3,0,0]=4 10706 B11R1.47 C#CCCCCCN1CCC1 269982a_100000754969_100012094781 [0,0,0,1,0,0|2,0,1]=4 10707 B11R1.47 C#CCCCCNC1CCC1 2230a_100000749019_100010269958 [0,0,0,1,0,0|2,0,1]=4 10708 B11R1.47 C#CCCCCNC1CCC1 34a_100000706060_100000749161 [0,0,0,1,0,0|2,0,1]=4 10709 B11R1.47 C#CCCCCNC1CCC1 34a_100000749019_100010269958 [0,0,0,1,0,0|2,0,1]=4 10710 B11R1.47 C#CCCCCOC1CCC1 34a_100000748187_100010269958 [0,0,0,1,0,0|2,0,1]=4 10711 B11R1.47 C#CCCCCOC1CCC1 34a_100000766709_100000749161 [0,0,0,1,0,0|2,0,1]=4 10712 B11R1.47 C#CCCCCSC1CCC1 62a_100010269958_100000749161 [0,0,0,1,0,0|2,0,1]=4 10713 B11R1.47 C#CCCCNCC1CCC1 2230a_100000738700_100000731252 [0,0,0,1,0,0|2,0,1]=4 10714 B11R1.47 C#CCCCNCC1CCC1 34a_100000718082_100000763275 [0,0,0,1,0,0|2,0,1]=4 10715 B11R1.47 C#CCCCNCC1CCC1 34a_100000738700_100000695029 [0,0,0,1,0,0|2,0,1]=4 10716 B11R1.47 C#CCCCNCC1CCO1 34a_100000718082_100000103362 [0,0,0,1,0,0|1,0,2]=4 10717 B11R1.47 C#CCCCNC[C@@H]1CCO1 2230a_100020831831_100000731252 [0,0,0,1,0,0|1,0,2]=4 10718 B11R1.47 C#CCCCNC[C@@H]1CCO1 34a_100020831831_100000695029 [0,0,0,1,0,0|1,0,2]=4 10719 B11R1.47 C#CCCCOCC1CCC1 34a_100000215630_100000763275 [0,0,0,1,0,0|2,0,1]=4 10720 B11R1.47 C#CCCCOCC1CCC1 34a_100000760304_100000695029 [0,0,0,1,0,0|2,0,1]=4 10721 B11R1.47 C#CCCCOCC1CCC1 7a_100000215630_100000763275 [0,0,0,1,0,0|2,0,1]=4 10722 B11R1.47 C#CCCCOCC1CCO1 34a_100000039022_100000695029 [0,0,0,1,0,0|1,0,2]=4 10723 B11R1.47 C#CCCCOCC1CCO1 34a_100000215630_100000103362 [0,0,0,1,0,0|1,0,2]=4 10724 B11R1.47 C#CCCCOCC1CCO1 7a_100000215630_100000103362 [0,0,0,1,0,0|1,0,2]=4 10725 B11R1.47 C#CCCCSCC1CCC1 62a_100000763275_100011215417 [0,0,0,1,0,0|2,0,1]=4 10726 B11R1.47 C#CCCCSCC1CCC1 62a_100011215417_100000763275 [0,0,0,1,0,0|2,0,1]=4 10727 B11R1.47 C#CCCCSCC1CCO1 62a_100000103362_100011215417 [0,0,0,1,0,0|1,0,2]=4 10728 B11R1.47 C#CCCCSCC1CCO1 62a_100011215417_100000103362 [0,0,0,1,0,0|1,0,2]=4 10729 B11R1.47 C/C=C/CCOCC1CCO1 34a_100016278192_100000103362 [0,0,0,1,0,0|1,0,2]=4 10730 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [0,0,0,1,0,0|2,0,1]=4 10731 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [0,0,0,1,0,0|2,0,1]=4 10732 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [0,0,0,1,0,0|2,0,1]=4 10733 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [0,0,0,1,0,0|2,0,1]=4 10734 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [0,0,0,1,0,0|2,0,1]=4 10735 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [0,0,0,1,0,0|2,0,1]=4 10736 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [0,0,0,1,0,0|2,0,1]=4 10737 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [0,0,0,1,0,0|2,0,1]=4 10738 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [0,0,0,1,0,0|2,0,1]=4 10739 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [0,0,0,1,0,0|2,0,1]=4 10740 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [0,0,0,1,0,0|2,0,1]=4 10741 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [0,0,0,1,0,0|2,0,1]=4 10742 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [0,0,0,1,0,0|2,0,1]=4 10743 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [0,0,0,1,0,0|1,0,2]=4 10744 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [0,0,0,1,0,0|1,0,2]=4 10745 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [0,0,0,1,0,0|1,0,2]=4 10746 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [0,0,0,1,0,0|1,0,2]=4 10747 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [0,0,0,1,0,0|2,0,1]=4 10748 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [0,0,0,1,0,0|2,0,1]=4 10749 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [0,0,0,1,0,0|2,0,1]=4 10750 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [0,0,0,1,0,0|1,0,2]=4 10751 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [0,0,0,1,0,0|1,0,2]=4 10752 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [0,0,0,1,0,0|1,0,2]=4 10753 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [0,0,0,1,0,0|2,0,1]=4 10754 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [0,0,0,1,0,0|2,0,1]=4 10755 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [0,0,0,1,0,0|1,0,2]=4 10756 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [0,0,0,1,0,0|1,0,2]=4 10757 B11R1.47 CC#CCCOCC1CCO1 34a_100000750427_100000103362 [0,0,0,1,0,0|1,0,2]=4 10758 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 2230a_100020831831_100103147603 [0,0,0,1,0,0|1,0,2]=4 10759 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 34a_100020831831_100103147603 [0,0,0,1,0,0|1,0,2]=4 10760 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [0,0,0,1,0,0|1,0,2]=4 10761 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [0,0,0,1,0,0|1,0,2]=4 10762 B11R1.47 CC/C=C\CSCC1CCO1 62a_100000103362_100103147603 [0,0,0,1,0,0|1,0,2]=4 10763 B11R1.47 CC/C=C\CSCC1CCO1 62a_100103147603_100000103362 [0,0,0,1,0,0|1,0,2]=4 10764 B11R1.47 CCC#CCNC[C@@H]1CCO1 2230a_100020831831_100009813939 [0,0,0,1,0,0|1,0,2]=4 10765 B11R1.47 CCC#CCNC[C@@H]1CCO1 34a_100020831831_100009813939 [0,0,0,1,0,0|1,0,2]=4 10766 B11R1.47 CCC#CCOCC1CCO1 34a_100000032950_100000103362 [0,0,0,1,0,0|1,0,2]=4 10767 B11R1.47 CCC#CCOCC1CCO1 34a_100000039022_100009813939 [0,0,0,1,0,0|1,0,2]=4 10768 B11R1.47 CCC#CCSCC1CCO1 62a_100000103362_100009813939 [0,0,0,1,0,0|1,0,2]=4 10769 B11R1.47 CCC#CCSCC1CCO1 62a_100009813939_100000103362 [0,0,0,1,0,0|1,0,2]=4 10770 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,0,0,1,0,0|2,0,0]=3 10771 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,0,0,1,0,0|2,0,0]=3 10772 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,0,0,1,0,0|2,0,0]=3 10773 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,0,0,1,0,0|2,0,0]=3 10774 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,0,0,1,0,0|3,0,0]=4 10775 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,0,0,1,0,0|2,0,0]=3 10776 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,0,0,1,0,0|2,0,0]=3 10777 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,0,0,1,0,0|3,0,0]=4 10778 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,0,0,1,0,0|3,0,0]=4 10779 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,0,0,1,0,0|3,0,0]=4 10780 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,0,0,1,0,0|2,0,0]=3 10781 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,0,0,1,0,0|3,0,0]=4 10782 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,0,0,1,0,0|2,0,0]=3 10783 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,0,0,1,0,0|2,0,0]=3 10784 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,0,0,1,0,0|2,0,0]=3 10785 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,0,0,1,0,0|2,0,0]=3 10786 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,0,0,1,0,0|1,0,0]=2 10787 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,0,0,1,0,0|3,0,0]=4 10788 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,0,0,1,0,0|3,0,0]=4 10789 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,0,0,1,0,0|3,0,0]=4 10790 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,0,0,1,0,0|1,0,0]=2 10791 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,0,0,1,0,0|1,0,0]=2 10792 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,0,0,1,0,0|2,0,0]=3 10793 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,0,0,1,0,0|2,0,0]=3 10794 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,0,0,1,0,0|2,0,0]=3 10795 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,0,0,1,0,0|1,0,0]=2 10796 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,0,0,1,0,0|1,0,0]=2 10797 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,0,0,1,0,0|1,0,0]=2 10798 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,0,0,1,0,0|3,0,0]=4 10799 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,0,0,1,0,0|3,0,0]=4 10800 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,0,0,1,0,0|3,0,0]=4 10801 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,0,0,1,0,0|3,0,0]=4 10802 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,0,0,1,0,0|2,0,0]=3 10803 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,0,0,1,0,0|2,0,0]=3 10804 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,0,0,1,0,0|1,0,0]=2 10805 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,0,0,1,0,0|1,0,0]=2 10806 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,0,0,1,0,0|3,0,0]=4 10807 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,0,0,1,0,0|3,0,0]=4 10808 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,0,0,1,0,0|3,0,0]=4 10809 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [0,0,0,1,0,0|3,0,0]=4 10810 B11R1.47 CCCCOCNC1CCC1 2230a_100000749019_100011995733 [0,0,0,1,0,0|3,0,0]=4 10811 B11R1.47 CCCCOCNC1CCC1 34a_100000749019_100011995733 [0,0,0,1,0,0|3,0,0]=4 10812 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [0,0,0,1,0,0|3,0,0]=4 10813 B11R1.47 CCCCOCSC1CCC1 62a_100011995733_100000749161 [0,0,0,1,0,0|3,0,0]=4 10814 B11R1.47 CCCOCCNC1CCC1 2230a_100000749019_100011215938 [0,0,0,1,0,0|3,0,0]=4 10815 B11R1.47 CCCOCCNC1CCC1 270004a_100161115042_100000241760 [0,0,0,1,0,0|3,0,0]=4 10816 B11R1.47 CCCOCCNC1CCC1 34a_100000749019_100011215938 [0,0,0,1,0,0|3,0,0]=4 10817 B11R1.47 CCCOCCNC1CCC1 34a_100161115042_100000749161 [0,0,0,1,0,0|3,0,0]=4 10818 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [0,0,0,1,0,0|3,0,0]=4 10819 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [0,0,0,1,0,0|3,0,0]=4 10820 B11R1.47 CCCOCCSC1CCC1 62a_100011215938_100000749161 [0,0,0,1,0,0|3,0,0]=4 10821 B11R1.47 CCCSCCNC1CCC1 270004a_100020603323_100000241760 [0,0,0,1,0,0|3,0,0]=4 10822 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [0,0,0,1,0,0|3,0,0]=4 10823 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [0,0,0,1,0,0|3,0,0]=4 10824 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [0,0,0,1,0,0|3,0,0]=4 10825 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [0,0,0,1,0,0|3,0,0]=4 10826 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [0,0,0,1,0,0|3,0,0]=4 10827 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [0,0,0,1,0,0|3,0,0]=4 10828 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [0,0,0,1,0,0|3,0,0]=4 10829 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [0,0,0,1,0,0|3,0,0]=4 10830 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [0,0,0,1,0,0|3,0,0]=4 10831 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [0,0,0,1,0,0|3,0,0]=4 10832 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [0,0,0,1,0,0|3,0,0]=4 10833 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [0,0,0,1,0,0|3,0,0]=4 10834 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [0,0,0,1,0,0|3,0,0]=4 10835 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,0,0,1,0,0|2,0,0]=3 10836 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,0,0,1,0,0|2,0,0]=3 10837 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,0,0,1,0,0|2,0,0]=3 10838 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,0,0,1,0,0|2,0,0]=3 10839 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [0,0,0,1,0,0|3,0,0]=4 10840 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [0,0,0,1,0,0|3,0,0]=4 10841 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [0,0,0,1,0,0|3,0,0]=4 10842 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,0,0,1,0,0|2,0,0]=3 10843 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,0,0,1,0,0|2,0,0]=3 10844 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,0,0,1,0,0|2,0,0]=3 10845 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [0,0,0,1,0,0|3,0,0]=4 10846 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [0,0,0,1,0,0|3,0,0]=4 10847 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,0,0,1,0,0|2,0,0]=3 10848 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,0,0,1,0,0|2,0,0]=3 10849 B11R1.47 CCSCCCOC1CCC1 34a_100011216438_100000749161 [0,0,0,1,0,0|3,0,0]=4 10850 B11R1.47 CCSCCNCC1CCC1 2230a_100000106463_100000763275 [0,0,0,1,0,0|3,0,0]=4 10851 B11R1.47 CCSCCNCC1CCC1 2230a_100000738700_100000757381 [0,0,0,1,0,0|3,0,0]=4 10852 B11R1.47 CCSCCNCC1CCC1 269862a_100000106463_100000753134 [0,0,0,1,0,0|3,0,0]=4 10853 B11R1.47 CCSCCNCC1CCC1 34a_100000738700_100000757381 [0,0,0,1,0,0|3,0,0]=4 10854 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,0,0,1,0,0|2,0,0]=3 10855 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,0,0,1,0,0|2,0,0]=3 10856 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,0,0,1,0,0|2,0,0]=3 10857 B11R1.47 CCSCCOCC1CCC1 34a_100000212035_100000763275 [0,0,0,1,0,0|3,0,0]=4 10858 B11R1.47 CCSCCOCC1CCC1 34a_100000760304_100000757381 [0,0,0,1,0,0|3,0,0]=4 10859 B11R1.47 CCSCCOCC1CCC1 7a_100000212035_100000763275 [0,0,0,1,0,0|3,0,0]=4 10860 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,0,0,1,0,0|2,0,0]=3 10861 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,0,0,1,0,0|2,0,0]=3 10862 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,0,0,1,0,0|2,0,0]=3 10863 B11R1.47 CCSCCSCC1CCC1 62a_100000757381_100000763275 [0,0,0,1,0,0|3,0,0]=4 10864 B11R1.47 CCSCCSCC1CCC1 62a_100000763275_100000757381 [0,0,0,1,0,0|3,0,0]=4 10865 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,0,0,1,0,0|2,0,0]=3 10866 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,0,0,1,0,0|2,0,0]=3 10867 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [0,0,0,1,0,0|3,0,0]=4 10868 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [0,0,0,1,0,0|2,0,0]=3 10869 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [0,0,0,1,0,0|3,0,0]=4 10870 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [0,0,0,1,0,0|3,0,0]=4 10871 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [0,0,0,1,0,0|3,0,0]=4 10872 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [0,0,0,1,0,0|3,0,0]=4 10873 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [0,0,0,1,0,0|3,0,0]=4 10874 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,0,0,1,0,0|3,0,0]=4 10875 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,0,0,1,0,0|3,0,0]=4 10876 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,0,0,1,0,0|3,0,0]=4 10877 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,0,0,1,0,0|3,0,0]=4 10878 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [0,0,0,1,0,0|2,0,0]=3 10879 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [0,0,0,1,0,0|2,0,0]=3 10880 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [0,0,0,1,0,0|2,0,0]=3 10881 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,0,0,1,0,0|3,0,0]=4 10882 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,0,0,1,0,0|3,0,0]=4 10883 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [0,0,0,1,0,0|2,0,0]=3 10884 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [0,0,0,1,0,0|2,0,0]=3 10885 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,0,0,1,0,0|3,0,0]=4 10886 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,0,0,1,0,0|3,0,0]=4 10887 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [0,0,0,1,0,0|2,0,0]=3 10888 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [0,0,0,1,0,0|2,0,0]=3 10889 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [0,0,0,1,0,0|3,0,0]=4 10890 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [0,0,0,1,0,0|3,0,0]=4 10891 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [0,0,0,1,0,0|3,0,0]=4 10892 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [0,0,0,1,0,0|2,0,0]=3 10893 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [0,0,0,1,0,0|3,0,0]=4 10894 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [0,0,0,1,0,0|3,0,0]=4 10895 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [0,0,0,1,0,0|2,0,0]=3 10896 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [0,0,0,1,0,0|2,0,0]=3 10897 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [0,0,0,1,0,0|2,0,0]=3 10898 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [0,0,0,1,0,0|3,0,0]=4 10899 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [0,0,0,1,0,0|3,0,0]=4 10900 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [0,0,0,1,0,0|2,0,0]=3 10901 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [0,0,0,1,0,0|2,0,0]=3 10902 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [0,0,0,1,0,0|2,0,0]=3 10903 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [0,0,0,1,0,0|2,0,0]=3 10904 B11R1.47 ClCCCCOCC1COC1 34a_100000210776_100010264016 [0,0,0,1,0,0|3,0,0]=4 10905 B11R1.47 ClCCCCOCC1COC1 7a_100000210776_100010264016 [0,0,0,1,0,0|3,0,0]=4 10906 B11R1.47 ClCCOCCOC1CCC1 34a_100011215305_100000749161 [0,0,0,1,0,0|3,0,0]=4 10907 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,0,0,1,0,0|2,0,0]=3 10908 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [0,0,0,1,0,0|2,0,0]=3 10909 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [0,0,0,1,0,0|2,0,0]=3 10910 B11R1.47 FCCCCCNC1COC1 2230a_100016991112_100000729378 [0,0,0,1,0,0|3,0,0]=4 10911 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [0,0,0,1,0,0|2,0,0]=3 10912 B11R1.47 FCCCCCOC1CSC1 7a_100000072292_100000729378 [0,0,0,1,0,0|3,0,0]=4 10913 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [0,0,0,1,0,0|2,0,0]=3 10914 B11R1.47 FCCCCCSC1COC1 62a_100000729378_100009818527 [0,0,0,1,0,0|3,0,0]=4 10915 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [0,0,0,1,0,0|2,0,0]=3 10916 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [0,0,0,1,0,0|2,0,0]=3 10917 B11R1.47 FCCCCNCC1COC1 2230a_100015281925_100000729493 [0,0,0,1,0,0|3,0,0]=4 10918 B11R1.47 FCCCCNCC1COC1 34a_100015281925_100000729493 [0,0,0,1,0,0|3,0,0]=4 10919 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [0,0,0,1,0,0|2,0,0]=3 10920 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [0,0,0,1,0,0|2,0,0]=3 10921 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [0,0,0,1,0,0|2,0,0]=3 10922 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [0,0,0,1,0,0|2,0,0]=3 10923 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [0,0,0,1,0,0|2,0,0]=3 10924 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [0,0,0,1,0,0|2,0,0]=3 10925 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [0,0,0,1,0,0|2,0,0]=3 10926 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [0,0,0,1,0,0|2,0,0]=3 10927 B11R1.47 FCCCCOCC1CNC1 34a_100016987283_100000729493 [0,0,0,1,0,0|3,0,0]=4 10928 B11R1.47 FCCCCOCC1COC1 34a_100000060846_100000729493 [0,0,0,1,0,0|3,0,0]=4 10929 B11R1.47 FCCCCOCC1COC1 34a_100011995726_100010264016 [0,0,0,1,0,0|3,0,0]=4 10930 B11R1.47 FCCCCOCC1COC1 7a_100011995726_100010264016 [0,0,0,1,0,0|3,0,0]=4 10931 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [0,0,0,1,0,0|2,0,0]=3 10932 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [0,0,0,1,0,0|2,0,0]=3 10933 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [0,0,0,1,0,0|2,0,0]=3 10934 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [0,0,0,1,0,0|2,0,0]=3 10935 B11R1.47 FCCCCSCC1COC1 62a_100000729493_100010264016 [0,0,0,1,0,0|3,0,0]=4 10936 B11R1.47 FCCCCSCC1COC1 62a_100010264016_100000729493 [0,0,0,1,0,0|3,0,0]=4 10937 B11R1.47 FCCCOCCC1COC1 34a_100009855314_100011934791 [0,0,0,1,0,0|3,0,0]=4 10938 B11R1.47 FCCOCCOC1CCC1 34a_200015357709_100000749161 [0,0,0,1,0,0|3,0,0]=4 10939 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [0,0,0,1,0,0|2,0,0]=3 10940 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [0,0,0,1,0,0|3,0,0]=4 10941 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [0,0,0,1,0,0|3,0,0]=4 10942 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [0,0,0,1,0,0|2,0,0]=3 10943 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [0,0,0,1,0,0|2,0,0]=3 10944 B11R1.47 ICCCCOCC1COC1 34a_200012148704_100010264016 [0,0,0,1,0,0|3,0,0]=4 10945 B11R1.47 ICCOCCOC1CCC1 34a_100012149058_100000749161 [0,0,0,1,0,0|3,0,0]=4 10946 B11R1.47 N#CCCCCCN1CCC1 269982a_100000754969_100009813376 [0,0,0,1,0,0|2,0,1]=4 10947 B11R1.47 N#CCCCCNC1CCC1 2230a_100000749019_100000211819 [0,0,0,1,0,0|2,0,1]=4 10948 B11R1.47 N#CCCCCNC1CCC1 270004a_100000751965_100000241760 [0,0,0,1,0,0|2,0,1]=4 10949 B11R1.47 N#CCCCCSC1CCC1 62a_100011219923_100000749161 [0,0,0,1,0,0|2,0,1]=4 10950 B11R1.47 N#CCCCNCC1CCC1 2230a_100000738700_100000687738 [0,0,0,1,0,0|2,0,1]=4 10951 B11R1.47 N#CCCCNC[C@@H]1CCO1 2230a_100020831831_100000687738 [0,0,0,1,0,0|2,0,1]=4 10952 B11R1.47 N#CCCCSCC1CCC1 62a_100000687738_100000763275 [0,0,0,1,0,0|2,0,1]=4 10953 B11R1.47 N#CCCCSCC1CCC1 62a_100000763275_100000687738 [0,0,0,1,0,0|2,0,1]=4 10954 B11R1.47 N#CCCCSCC1CCO1 62a_100000103362_100000687738 [0,0,0,1,0,0|2,0,1]=4 10955 B11R1.47 N#CCCCSCC1CCO1 62a_100000687738_100000103362 [0,0,0,1,0,0|2,0,1]=4 10956 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [0,0,0,1,0,0|2,0,0]=3 10957 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [0,0,0,1,0,0|3,0,0]=4 10958 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [0,0,0,1,0,0|2,0,0]=3 10959 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [0,0,0,1,0,0|2,0,0]=3 10960 B11R1.47 NCCCCOCC1COC1 34a_100000750430_100010264016 [0,0,0,1,0,0|3,0,0]=4 10961 B11R1.47 NCCOCCOC1CCC1 34a_100000211614_100000749161 [0,0,0,1,0,0|3,0,0]=4 10962 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [0,0,0,1,0,0|1,0,2]=4 10963 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,0,0,1,0,0|1,0,2]=4 10964 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,0,0,1,0,0|1,0,2]=4 10965 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,0,0,1,0,0|1,0,2]=4 10966 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,0,0,1,0,0|2,0,1]=4 10967 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,0,0,1,0,0|1,0,2]=4 10968 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,0,0,1,0,0|1,0,2]=4 10969 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,0,0,1,0,0|2,0,1]=4 10970 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,0,0,1,0,0|2,0,1]=4 10971 B11R1.47 OCC#CCNCC1CCC1 2230a_100000738700_200000047223 [0,0,0,1,0,0|1,0,2]=4 10972 B11R1.47 OCC#CCNCC1CCC1 34a_100000738700_200000047223 [0,0,0,1,0,0|1,0,2]=4 10973 B11R1.47 OCC#CCOCC1CCC1 34a_100000760304_200000047223 [0,0,0,1,0,0|1,0,2]=4 10974 B11R1.47 OCC#CCSCC1CCC1 62a_100000763275_200000047223 [0,0,0,1,0,0|1,0,2]=4 10975 B11R1.47 OCC#CCSCC1CCC1 62a_200000047223_100000763275 [0,0,0,1,0,0|1,0,2]=4 10976 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,0,0,1,0,0|1,0,0]=2 10977 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,0,0,1,0,0|1,0,0]=2 10978 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,0,0,1,0,0|1,0,0]=2 10979 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,0,0,1,0,0|1,0,0]=2 10980 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,0,0,1,0,0|1,0,0]=2 10981 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,0,0,1,0,0|2,0,0]=3 10982 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,0,0,1,0,0|2,0,0]=3 10983 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,0,0,1,0,0|1,0,0]=2 10984 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [0,0,0,1,0,0|2,0,0]=3 10985 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,0,0,1,0,0|1,0,0]=2 10986 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,0,0,1,0,0|2,0,0]=3 10987 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,0,0,1,0,0|1,0,0]=2 10988 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,0,0,1,0,0|1,0,0]=2 10989 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,0,0,1,0,0|1,0,0]=2 10990 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,0,0,1,0,0|1,0,0]=2 10991 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,0,0,1,0,0|1,0,0]=2 10992 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,0,0,1,0,0|2,0,0]=3 10993 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,0,0,1,0,0|2,0,0]=3 10994 B11R1.47 OCCCCNCC1COC1 2230a_100000750430_100010264016 [0,0,0,1,0,0|2,0,0]=3 10995 B11R1.47 OCCCCNCC1COC1 2230a_100015281925_100000210776 [0,0,0,1,0,0|2,0,0]=3 10996 B11R1.47 OCCCCNCC1COC1 34a_100000750430_100010264016 [0,0,0,1,0,0|2,0,0]=3 10997 B11R1.47 OCCCCNCC1COC1 34a_100015281925_100011216708 [0,0,0,1,0,0|2,0,0]=3 10998 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,0,0,1,0,0|2,0,0]=3 10999 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,0,0,1,0,0|2,0,0]=3 11000 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,0,0,1,0,0|1,0,0]=2 11001 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,0,0,1,0,0|2,0,0]=3 11002 B11R1.47 OCCCCOCC1CNC1 34a_100016987283_100011216708 [0,0,0,1,0,0|2,0,0]=3 11003 B11R1.47 OCCCCOCC1COC1 34a_100000060846_100011216708 [0,0,0,1,0,0|2,0,0]=3 11004 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,0,0,1,0,0|1,0,0]=2 11005 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,0,0,1,0,0|1,0,0]=2 11006 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,0,0,1,0,0|2,0,0]=3 11007 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,0,0,1,0,0|2,0,0]=3 11008 B11R1.47 OCCCCSCC1COC1 62a_100000210776_100010264016 [0,0,0,1,0,0|2,0,0]=3 11009 B11R1.47 OCCCCSCC1COC1 62a_100010264016_100000210776 [0,0,0,1,0,0|2,0,0]=3 11010 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [0,0,0,1,0,0|2,0,0]=3 11011 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [0,0,0,1,0,0|2,0,0]=3 11012 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [0,0,0,1,0,0|2,0,0]=3 11013 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [0,0,0,1,0,0|2,0,0]=3 11014 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [0,0,0,1,0,0|2,0,0]=3 11015 B11R1.47 OCCOCCNC1COC1 2230a_100016991112_100011215305 [0,0,0,1,0,0|3,0,0]=4 11016 B11R1.47 OCCOCCNC1COC1 34a_100000211614_100009818527 [0,0,0,1,0,0|3,0,0]=4 11017 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [0,0,0,1,0,0|2,0,0]=3 11018 B11R1.47 OCCOCCOC1CSC1 7a_100000072292_100011215305 [0,0,0,1,0,0|3,0,0]=4 11019 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [0,0,0,1,0,0|2,0,0]=3 11020 B11R1.47 OCCOCCSC1COC1 62a_100011215305_100009818527 [0,0,0,1,0,0|3,0,0]=4 11021 B11R1.47 OCCSCCNC1CCC1 270004a_100011219999_100000241760 [0,0,0,1,0,0|2,0,0]=3 11022 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,0,0,1,0,0|2,0,0]=3 11023 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [0,0,0,1,0,0|2,0,0]=3 11024 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [0,0,0,1,0,0|2,0,0]=3 11025 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [0,0,0,1,0,0|2,0,0]=3 11026 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [0,0,0,1,0,0|2,0,0]=3 11027 B11R1.99 BrCCCCCOCC1CS1 7a_100000746331_100000031435 [0,0,0,1,0,0|2,1,0]=4 11028 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [0,0,0,1,0,0|2,0,0]=3 11029 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [0,0,0,1,0,0|2,0,0]=3 11030 B11R1.99 BrCCCCOCCC1CO1 34a_100011216708_100000732470 [0,0,0,1,0,0|2,0,0]=3 11031 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [0,0,0,1,0,0|2,0,0]=3 11032 B11R1.99 BrCCOCCOCC1CC1 34a_100000692535_100000742324 [0,0,0,1,0,0|3,0,0]=4 11033 B11R1.99 BrCCOCCOCC1CC1 7a_100000692535_100000742324 [0,0,0,1,0,0|3,0,0]=4 11034 B11R1.99 BrCCOCCOCC1CO1 34a_100000692535_102125554688 [0,0,0,1,0,0|3,0,0]=4 11035 B11R1.99 BrCCOCCOCC1CO1 7a_100000692535_102125554688 [0,0,0,1,0,0|3,0,0]=4 11036 B11R1.99 BrCCOCCOC[C@@H]1CO1 7a_100000692535_100000745022 [0,0,0,1,0,0|3,0,0]=4 11037 B11R1.99 C#CCCCCCNC1CC1 34a_100000212008_100012094781 [0,0,0,1,0,0|2,0,1]=4 11038 B11R1.99 C#CCCCCCOC1CC1 34a_100000766912_100000211595 [0,0,0,1,0,0|2,0,1]=4 11039 B11R1.99 C#CCCCCCSC1CC1 62a_100012094781_100000211595 [0,0,0,1,0,0|2,0,1]=4 11040 B11R1.99 C#CCCCCNCC1CC1 2230a_100000706060_100000742324 [0,0,0,1,0,0|2,0,1]=4 11041 B11R1.99 C#CCCCCNCC1CC1 2230a_100000735609_100010269958 [0,0,0,1,0,0|2,0,1]=4 11042 B11R1.99 C#CCCCCNCC1CC1 34a_100000706060_100000742324 [0,0,0,1,0,0|2,0,1]=4 11043 B11R1.99 C#CCCCCNCC1CC1 34a_100000735609_100010269958 [0,0,0,1,0,0|2,0,1]=4 11044 B11R1.99 C#CCCCCNCC1CO1 2230a_100000706060_100011216344 [0,0,0,1,0,0|1,0,2]=4 11045 B11R1.99 C#CCCCCNCC1CO1 34a_100000706060_102125554688 [0,0,0,1,0,0|1,0,2]=4 11046 B11R1.99 C#CCCCCOCC1CC1 34a_100000211283_100010269958 [0,0,0,1,0,0|2,0,1]=4 11047 B11R1.99 C#CCCCCOCC1CC1 34a_100000766709_100000742324 [0,0,0,1,0,0|2,0,1]=4 11048 B11R1.99 C#CCCCCOCC1CC1 7a_100000766709_100000742324 [0,0,0,1,0,0|2,0,1]=4 11049 B11R1.99 C#CCCCCOCC1CO1 34a_100000766709_102125554688 [0,0,0,1,0,0|1,0,2]=4 11050 B11R1.99 C#CCCCCOCC1CO1 7a_100000766709_102125554688 [0,0,0,1,0,0|1,0,2]=4 11051 B11R1.99 C#CCCCCOC[C@@H]1CO1 34a_100000757423_100010269958 [0,0,0,1,0,0|1,0,2]=4 11052 B11R1.99 C#CCCCCOC[C@@H]1CO1 7a_100000766709_100000745022 [0,0,0,1,0,0|1,0,2]=4 11053 B11R1.99 C#CCCCCSCC1CC1 62a_100000756562_100010269958 [0,0,0,1,0,0|2,0,1]=4 11054 B11R1.99 C#CCCCCSCC1CC1 62a_100010269958_100000742324 [0,0,0,1,0,0|2,0,1]=4 11055 B11R1.99 C#CCCCCSCC1CO1 62a_100010269958_102125554688 [0,0,0,1,0,0|1,0,2]=4 11056 B11R1.99 C#CCCCCSCC1CO1 62a_102125554688_100010269958 [0,0,0,1,0,0|1,0,2]=4 11057 B11R1.99 C#CCCCCSC[C@@H]1CO1 62a_100000745022_100010269958 [0,0,0,1,0,0|1,0,2]=4 11058 B11R1.99 C#CCCCCSC[C@@H]1CO1 62a_100010269958_100000745022 [0,0,0,1,0,0|1,0,2]=4 11059 B11R1.99 C#CCCCNCCC1CC1 34a_100000718082_100000694398 [0,0,0,1,0,0|2,0,1]=4 11060 B11R1.99 C#CCCCNCCC1CC1 34a_100000764129_100000695029 [0,0,0,1,0,0|2,0,1]=4 11061 B11R1.99 C#CCCCNCCC1CO1 34a_100000718082_100000732470 [0,0,0,1,0,0|1,0,2]=4 11062 B11R1.99 C#CCCCOCCC1CC1 34a_100000215630_100000694398 [0,0,0,1,0,0|2,0,1]=4 11063 B11R1.99 C#CCCCOCCC1CC1 34a_100000754188_100000695029 [0,0,0,1,0,0|2,0,1]=4 11064 B11R1.99 C#CCCCOCCC1CC1 7a_100000215630_100000764125 [0,0,0,1,0,0|2,0,1]=4 11065 B11R1.99 C#CCCCOCCC1CC1 7a_100000754188_100011215417 [0,0,0,1,0,0|2,0,1]=4 11066 B11R1.99 C#CCCCOCCC1CO1 34a_100000215630_100000732470 [0,0,0,1,0,0|1,0,2]=4 11067 B11R1.99 C#CCCCOCCC1CO1 7a_100000215630_100000732470 [0,0,0,1,0,0|1,0,2]=4 11068 B11R1.99 C#CCCCOCC[C@@H]1CO1 34a_100009820653_100000695029 [0,0,0,1,0,0|1,0,2]=4 11069 B11R1.99 C#CCCCSCCC1CC1 62a_100000764125_100011215417 [0,0,0,1,0,0|2,0,1]=4 11070 B11R1.99 C#CCCCSCCC1CC1 62a_100011215417_100000764125 [0,0,0,1,0,0|2,0,1]=4 11071 B11R1.99 C#CCCCSCCC1CO1 62a_100000732470_100011215417 [0,0,0,1,0,0|1,0,2]=4 11072 B11R1.99 C#CCCCSCCC1CO1 62a_100011215417_100000732470 [0,0,0,1,0,0|1,0,2]=4 11073 B11R1.99 C#CCCNCCCC1CO1 34a_100000755551_100000733510 [0,0,0,1,0,0|1,0,2]=4 11074 B11R1.99 C#CCCOCCCC1CO1 34a_100011215631_100000733510 [0,0,0,1,0,0|1,0,2]=4 11075 B11R1.99 C#CCCSCCCC1CO1 62a_100000688953_100000733510 [0,0,0,1,0,0|1,0,2]=4 11076 B11R1.99 C#CCCSCCCC1CO1 62a_100000733510_100000688953 [0,0,0,1,0,0|1,0,2]=4 11077 B11R1.99 C/C=C/CCOCCC1CO1 34a_100016278192_100000732470 [0,0,0,1,0,0|1,0,2]=4 11078 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [0,0,0,1,0,0|1,0,2]=4 11079 B11R1.99 C/C=C/CSCCCC1CO1 62a_100000733510_100102629194 [0,0,0,1,0,0|1,0,2]=4 11080 B11R1.99 C/C=C/CSCCCC1CO1 62a_100102629194_100000733510 [0,0,0,1,0,0|1,0,2]=4 11081 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [0,0,0,1,0,0|2,0,1]=4 11082 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [0,0,0,1,0,0|2,0,1]=4 11083 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [0,0,0,1,0,0|2,0,1]=4 11084 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,0,0,1,0,0|2,0,1]=4 11085 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,0,0,1,0,0|2,0,1]=4 11086 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,0,0,1,0,0|2,0,1]=4 11087 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,0,0,1,0,0|2,0,1]=4 11088 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,0,0,1,0,0|2,0,1]=4 11089 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [0,0,0,1,0,0|1,0,2]=4 11090 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [0,0,0,1,0,0|1,0,2]=4 11091 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,0,0,1,0,0|2,0,1]=4 11092 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,0,0,1,0,0|2,0,1]=4 11093 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,0,0,1,0,0|2,0,1]=4 11094 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,0,0,1,0,0|1,0,2]=4 11095 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,0,0,1,0,0|1,0,2]=4 11096 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,0,0,1,0,0|1,0,2]=4 11097 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,0,0,1,0,0|1,0,2]=4 11098 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,0,0,1,0,0|2,0,1]=4 11099 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,0,0,1,0,0|2,0,1]=4 11100 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [0,0,0,1,0,0|1,0,2]=4 11101 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [0,0,0,1,0,0|1,0,2]=4 11102 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [0,0,0,1,0,0|1,0,2]=4 11103 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [0,0,0,1,0,0|1,0,2]=4 11104 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,0,0,1,0,0|2,0,1]=4 11105 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,0,0,1,0,0|2,0,1]=4 11106 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,0,0,1,0,0|2,0,1]=4 11107 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [0,0,0,1,0,0|1,0,2]=4 11108 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [0,0,0,1,0,0|1,0,2]=4 11109 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,0,0,1,0,0|2,0,1]=4 11110 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,0,0,1,0,0|2,0,1]=4 11111 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,0,0,1,0,0|2,0,1]=4 11112 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,0,0,1,0,0|2,0,1]=4 11113 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,0,0,1,0,0|1,0,2]=4 11114 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,0,0,1,0,0|1,0,2]=4 11115 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,0,0,1,0,0|1,0,2]=4 11116 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,0,0,1,0,0|2,0,1]=4 11117 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,0,0,1,0,0|2,0,1]=4 11118 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [0,0,0,1,0,0|1,0,2]=4 11119 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [0,0,0,1,0,0|1,0,2]=4 11120 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [0,0,0,1,0,0|1,0,2]=4 11121 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,0,0,1,0,0|1,0,2]=4 11122 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [0,0,0,1,0,0|1,0,2]=4 11123 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [0,0,0,1,0,0|1,0,2]=4 11124 B11R1.99 CC#CCCOCCC1CO1 34a_100000750427_100000732470 [0,0,0,1,0,0|1,0,2]=4 11125 B11R1.99 CC#CCNCCCC1CO1 2230a_100000685387_100000733510 [0,0,0,1,0,0|1,0,2]=4 11126 B11R1.99 CC#CCNCCCC1CO1 34a_100000685387_100000733510 [0,0,0,1,0,0|1,0,2]=4 11127 B11R1.99 CC#CCOCCCC1CO1 34a_100000761923_100000733510 [0,0,0,1,0,0|1,0,2]=4 11128 B11R1.99 CC#CCSCCCC1CO1 62a_100000733510_100000748600 [0,0,0,1,0,0|1,0,2]=4 11129 B11R1.99 CC#CCSCCCC1CO1 62a_100000748600_100000733510 [0,0,0,1,0,0|1,0,2]=4 11130 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,0,0,1,0,0|1,0,2]=4 11131 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,0,0,1,0,0|1,0,2]=4 11132 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,0,0,1,0,0|1,0,2]=4 11133 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,0,0,1,0,0|1,0,2]=4 11134 B11R1.99 CC/C=C\CCSCC1CO1 62a_100015370543_102125554688 [0,0,0,1,0,0|1,0,2]=4 11135 B11R1.99 CC/C=C\CCSCC1CO1 62a_102125554688_100015370543 [0,0,0,1,0,0|1,0,2]=4 11136 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100000745022_100015370543 [0,0,0,1,0,0|1,0,2]=4 11137 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100015370543_100000745022 [0,0,0,1,0,0|1,0,2]=4 11138 B11R1.99 CC/C=C\COCCC1CO1 34a_100016268518_100000732470 [0,0,0,1,0,0|1,0,2]=4 11139 B11R1.99 CC/C=C\COCC[C@@H]1CO1 34a_100009820653_100103147603 [0,0,0,1,0,0|1,0,2]=4 11140 B11R1.99 CC/C=C\CSCCC1CO1 62a_100000732470_100103147603 [0,0,0,1,0,0|1,0,2]=4 11141 B11R1.99 CC/C=C\CSCCC1CO1 62a_100103147603_100000732470 [0,0,0,1,0,0|1,0,2]=4 11142 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [0,0,0,1,0,0|1,0,2]=4 11143 B11R1.99 CC=CCSCCCC1CO1 62a_100000070051_100000733510 [0,0,0,1,0,0|1,0,2]=4 11144 B11R1.99 CC=CCSCCCC1CO1 62a_100000733510_100000070051 [0,0,0,1,0,0|1,0,2]=4 11145 B11R1.99 CCC#CCCOCC1CO1 34a_100000036655_102125554688 [0,0,0,1,0,0|1,0,2]=4 11146 B11R1.99 CCC#CCCOCC1CO1 7a_100000036655_102125554688 [0,0,0,1,0,0|1,0,2]=4 11147 B11R1.99 CCC#CCCOC[C@@H]1CO1 7a_100000036655_100000745022 [0,0,0,1,0,0|1,0,2]=4 11148 B11R1.99 CCC#CCOCCC1CO1 34a_100000032950_100000732470 [0,0,0,1,0,0|1,0,2]=4 11149 B11R1.99 CCC#CCOCC[C@@H]1CO1 34a_100009820653_100009813939 [0,0,0,1,0,0|1,0,2]=4 11150 B11R1.99 CCC#CCSCCC1CO1 62a_100000732470_100009813939 [0,0,0,1,0,0|1,0,2]=4 11151 B11R1.99 CCC#CCSCCC1CO1 62a_100009813939_100000732470 [0,0,0,1,0,0|1,0,2]=4 11152 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,0,0,1,0,0|1,0,2]=4 11153 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,0,0,1,0,0|1,0,2]=4 11154 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,0,0,1,0,0|1,0,2]=4 11155 B11R1.99 CCCC#CCOCC1CO1 34a_100000034806_102125554688 [0,0,0,1,0,0|1,0,2]=4 11156 B11R1.99 CCCC#CCOCC1CO1 7a_100000034806_102125554688 [0,0,0,1,0,0|1,0,2]=4 11157 B11R1.99 CCCC#CCOC[C@@H]1CO1 7a_100000034806_100000745022 [0,0,0,1,0,0|1,0,2]=4 11158 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,0,0,1,0,0|2,0,0]=3 11159 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,0,0,1,0,0|2,0,0]=3 11160 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,0,0,1,0,0|2,0,0]=3 11161 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [0,0,0,1,0,0|2,0,0]=3 11162 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [0,0,0,1,0,0|2,0,0]=3 11163 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [0,0,0,1,0,0|2,0,0]=3 11164 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [0,0,0,1,0,0|2,0,0]=3 11165 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,0,0,1,0,0|1,0,0]=2 11166 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [0,0,0,1,0,0|2,0,0]=3 11167 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [0,0,0,1,0,0|2,0,0]=3 11168 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [0,0,0,1,0,0|2,0,0]=3 11169 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,0,0,1,0,0|1,0,0]=2 11170 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,0,0,1,0,0|1,0,0]=2 11171 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [0,0,0,1,0,0|1,1,0]=3 11172 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,0,0,1,0,0|1,0,0]=2 11173 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,0,0,1,0,0|1,0,0]=2 11174 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [0,0,0,1,0,0|2,0,0]=3 11175 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [0,0,0,1,0,0|2,0,0]=3 11176 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,0,0,1,0,0|1,0,0]=2 11177 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,0,0,1,0,0|1,0,0]=2 11178 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [0,0,0,1,0,0|1,1,0]=3 11179 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [0,0,0,1,0,0|1,1,0]=3 11180 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,0,0,1,0,0|1,0,0]=2 11181 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,0,0,1,0,0|1,0,0]=2 11182 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [0,0,0,1,0,0|2,0,0]=3 11183 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [0,0,0,1,0,0|2,0,0]=3 11184 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,0,0,1,0,0|1,0,0]=2 11185 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [0,0,0,1,0,0|2,0,0]=3 11186 B11R1.99 CCCCCOCCC1CC1 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62a_102125554688_100012232248 [0,0,0,1,0,0|2,0,0]=3 11271 B11R1.99 CCOCCCSCC1CS1 62a_100000031435_100012232248 [0,0,0,1,0,0|2,1,0]=4 11272 B11R1.99 CCOCCCSCC1CS1 62a_100012232248_100000031435 [0,0,0,1,0,0|2,1,0]=4 11273 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [0,0,0,1,0,0|2,0,0]=3 11274 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [0,0,0,1,0,0|2,0,0]=3 11275 B11R1.99 CCOCCNCCC1CC1 2230a_102516460346_100000694398 [0,0,0,1,0,0|3,0,0]=4 11276 B11R1.99 CCOCCNCCC1CC1 34a_100000764129_100000210147 [0,0,0,1,0,0|3,0,0]=4 11277 B11R1.99 CCOCCNCCC1CC1 34a_102516460346_100000694398 [0,0,0,1,0,0|3,0,0]=4 11278 B11R1.99 CCOCCNCCC1CO1 2230a_102516460346_100000732470 [0,0,0,1,0,0|2,0,0]=3 11279 B11R1.99 CCOCCNCCC1CO1 34a_102516460346_100000732470 [0,0,0,1,0,0|2,0,0]=3 11280 B11R1.99 CCOCCOCCC1CC1 34a_100000210136_100000694398 [0,0,0,1,0,0|3,0,0]=4 11281 B11R1.99 CCOCCOCCC1CC1 34a_100000754188_100000210147 [0,0,0,1,0,0|3,0,0]=4 11282 B11R1.99 CCOCCOCCC1CC1 7a_100000210136_100000764125 [0,0,0,1,0,0|3,0,0]=4 11283 B11R1.99 CCOCCOCCC1CC1 7a_100000754188_100011215890 [0,0,0,1,0,0|3,0,0]=4 11284 B11R1.99 CCOCCOCCC1CO1 34a_100000210136_100000732470 [0,0,0,1,0,0|2,0,0]=3 11285 B11R1.99 CCOCCOCCC1CO1 7a_100000210136_100000732470 [0,0,0,1,0,0|2,0,0]=3 11286 B11R1.99 CCOCCOCC[C@@H]1CO1 34a_100009820653_100000210147 [0,0,0,1,0,0|2,0,0]=3 11287 B11R1.99 CCOCCSCCC1CC1 62a_100000210147_100000764125 [0,0,0,1,0,0|3,0,0]=4 11288 B11R1.99 CCOCCSCCC1CC1 62a_100000764125_100011215890 [0,0,0,1,0,0|3,0,0]=4 11289 B11R1.99 CCOCCSCCC1CO1 62a_100000210147_100000732470 [0,0,0,1,0,0|2,0,0]=3 11290 B11R1.99 CCOCCSCCC1CO1 62a_100000732470_100011215890 [0,0,0,1,0,0|2,0,0]=3 11291 B11R1.99 CCOCSCCCC1CO1 62a_100000733510_100000739092 [0,0,0,1,0,0|2,0,0]=3 11292 B11R1.99 CCOCSCCCC1CO1 62a_100000739092_100000733510 [0,0,0,1,0,0|2,0,0]=3 11293 B11R1.99 CCSCCCOCC1CC1 34a_100011216438_100000742324 [0,0,0,1,0,0|3,0,0]=4 11294 B11R1.99 CCSCCCOCC1CC1 7a_100011216438_100000742324 [0,0,0,1,0,0|3,0,0]=4 11295 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [0,0,0,1,0,0|2,0,0]=3 11296 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [0,0,0,1,0,0|2,0,0]=3 11297 B11R1.99 CCSCCCOCC1CS1 7a_100011216438_100000031435 [0,0,0,1,0,0|2,1,0]=4 11298 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [0,0,0,1,0,0|2,0,0]=3 11299 B11R1.99 CCSCCNCCC1CC1 2230a_100000106463_100000694398 [0,0,0,1,0,0|3,0,0]=4 11300 B11R1.99 CCSCCNCCC1CC1 34a_100000764129_100000757381 [0,0,0,1,0,0|3,0,0]=4 11301 B11R1.99 CCSCCNCCC1CO1 2230a_100000106463_100000732470 [0,0,0,1,0,0|2,0,0]=3 11302 B11R1.99 CCSCCOCCC1CC1 34a_100000212035_100000694398 [0,0,0,1,0,0|3,0,0]=4 11303 B11R1.99 CCSCCOCCC1CC1 34a_100000754188_100000757381 [0,0,0,1,0,0|3,0,0]=4 11304 B11R1.99 CCSCCOCCC1CC1 7a_100000212035_100000764125 [0,0,0,1,0,0|3,0,0]=4 11305 B11R1.99 CCSCCOCCC1CC1 7a_100000754188_100000757381 [0,0,0,1,0,0|3,0,0]=4 11306 B11R1.99 CCSCCOCCC1CO1 34a_100000212035_100000732470 [0,0,0,1,0,0|2,0,0]=3 11307 B11R1.99 CCSCCOCCC1CO1 7a_100000212035_100000732470 [0,0,0,1,0,0|2,0,0]=3 11308 B11R1.99 CCSCCOCC[C@@H]1CO1 34a_100009820653_100000757381 [0,0,0,1,0,0|2,0,0]=3 11309 B11R1.99 CCSCCSCCC1CC1 62a_100000757381_100000764125 [0,0,0,1,0,0|3,0,0]=4 11310 B11R1.99 CCSCCSCCC1CC1 62a_100000764125_100000757381 [0,0,0,1,0,0|3,0,0]=4 11311 B11R1.99 CCSCCSCCC1CO1 62a_100000732470_100000757381 [0,0,0,1,0,0|2,0,0]=3 11312 B11R1.99 CCSCCSCCC1CO1 62a_100000757381_100000732470 [0,0,0,1,0,0|2,0,0]=3 11313 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,0,0,1,0,0|3,0,0]=4 11314 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [0,0,0,1,0,0|3,0,0]=4 11315 B11R1.99 CNCCCOCCC1CO1 34a_100000213112_100000732470 [0,0,0,1,0,0|2,0,0]=3 11316 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,0,0,1,0,0|3,0,0]=4 11317 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [0,0,0,1,0,0|3,0,0]=4 11318 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [0,0,0,1,0,0|3,0,0]=4 11319 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [0,0,0,1,0,0|3,0,0]=4 11320 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [0,0,0,1,0,0|3,0,0]=4 11321 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [0,0,0,1,0,0|2,0,0]=3 11322 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [0,0,0,1,0,0|2,0,0]=3 11323 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [0,0,0,1,0,0|2,0,0]=3 11324 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [0,0,0,1,0,0|2,0,0]=3 11325 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [0,0,0,1,0,0|3,0,0]=4 11326 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [0,0,0,1,0,0|3,0,0]=4 11327 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [0,0,0,1,0,0|2,0,0]=3 11328 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [0,0,0,1,0,0|2,0,0]=3 11329 B11R1.99 COCCCCSCC1CS1 62a_100000031435_100000730899 [0,0,0,1,0,0|2,1,0]=4 11330 B11R1.99 COCCCCSCC1CS1 62a_100000730899_100000031435 [0,0,0,1,0,0|2,1,0]=4 11331 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [0,0,0,1,0,0|2,0,0]=3 11332 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [0,0,0,1,0,0|2,0,0]=3 11333 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,0,0,1,0,0|3,0,0]=4 11334 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,0,0,1,0,0|3,0,0]=4 11335 B11R1.99 COCCCNCCC1CO1 34a_100150723488_100000732470 [0,0,0,1,0,0|2,0,0]=3 11336 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,0,0,1,0,0|3,0,0]=4 11337 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,0,0,1,0,0|3,0,0]=4 11338 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,0,0,1,0,0|3,0,0]=4 11339 B11R1.99 COCCCOCCC1CO1 34a_100000740835_100000732470 [0,0,0,1,0,0|2,0,0]=3 11340 B11R1.99 COCCCOCC[C@@H]1CO1 34a_100009820653_100000740836 [0,0,0,1,0,0|2,0,0]=3 11341 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,0,0,1,0,0|3,0,0]=4 11342 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,0,0,1,0,0|3,0,0]=4 11343 B11R1.99 COCCCSCCC1CO1 62a_100000709357_100000732470 [0,0,0,1,0,0|2,0,0]=3 11344 B11R1.99 COCCCSCCC1CO1 62a_100000732470_100000709357 [0,0,0,1,0,0|2,0,0]=3 11345 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [0,0,0,1,0,0|2,0,0]=3 11346 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [0,0,0,1,0,0|2,0,0]=3 11347 B11R1.99 COCCOCSCC1CO1 62a_100000231047_102125554688 [0,0,0,1,0,0|3,0,0]=4 11348 B11R1.99 COCCOCSCC1CO1 62a_102125554688_100000231047 [0,0,0,1,0,0|3,0,0]=4 11349 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000231047_100000745022 [0,0,0,1,0,0|3,0,0]=4 11350 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000745022_100000231047 [0,0,0,1,0,0|3,0,0]=4 11351 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [0,0,0,1,0,0|2,0,0]=3 11352 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [0,0,0,1,0,0|2,0,0]=3 11353 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [0,0,0,1,0,0|3,0,0]=4 11354 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [0,0,0,1,0,0|3,0,0]=4 11355 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [0,0,0,1,0,0|2,0,0]=3 11356 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [0,0,0,1,0,0|2,0,0]=3 11357 B11R1.99 CSCCCCOCC1CS1 7a_100011217163_100000031435 [0,0,0,1,0,0|2,1,0]=4 11358 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [0,0,0,1,0,0|2,0,0]=3 11359 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [0,0,0,1,0,0|3,0,0]=4 11360 B11R1.99 CSCCCNCCC1CO1 2230a_100000749238_100000732470 [0,0,0,1,0,0|2,0,0]=3 11361 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [0,0,0,1,0,0|3,0,0]=4 11362 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [0,0,0,1,0,0|3,0,0]=4 11363 B11R1.99 CSCCCOCCC1CO1 34a_100000690336_100000732470 [0,0,0,1,0,0|2,0,0]=3 11364 B11R1.99 CSCCCOCCC1CO1 7a_100000690336_100000732470 [0,0,0,1,0,0|2,0,0]=3 11365 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [0,0,0,1,0,0|2,0,0]=3 11366 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [0,0,0,1,0,0|2,0,0]=3 11367 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [0,0,0,1,0,0|2,0,0]=3 11368 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [0,0,0,1,0,0|2,0,0]=3 11369 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [0,0,0,1,0,0|2,0,0]=3 11370 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,0,0,1,0,0|2,0,0]=3 11371 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [0,0,0,1,0,0|2,0,0]=3 11372 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [0,0,0,1,0,0|2,0,0]=3 11373 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [0,0,0,1,0,0|2,0,0]=3 11374 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [0,0,0,1,0,0|2,0,0]=3 11375 B11R1.99 ClCCCCCOCC1CS1 7a_100000746330_100000031435 [0,0,0,1,0,0|2,1,0]=4 11376 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [0,0,0,1,0,0|2,0,0]=3 11377 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [0,0,0,1,0,0|2,0,0]=3 11378 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [0,0,0,1,0,0|2,0,0]=3 11379 B11R1.99 ClCCCCOCCC1CO1 34a_100000210776_100000732470 [0,0,0,1,0,0|2,0,0]=3 11380 B11R1.99 ClCCCCOCCC1CO1 7a_100000210776_100000732470 [0,0,0,1,0,0|2,0,0]=3 11381 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [0,0,0,1,0,0|2,0,0]=3 11382 B11R1.99 ClCCOCCOCC1CC1 34a_100011215305_100000742324 [0,0,0,1,0,0|3,0,0]=4 11383 B11R1.99 ClCCOCCOCC1CC1 7a_100011215305_100000742324 [0,0,0,1,0,0|3,0,0]=4 11384 B11R1.99 ClCCOCCOCC1CO1 34a_100011215305_102125554688 [0,0,0,1,0,0|3,0,0]=4 11385 B11R1.99 ClCCOCCOCC1CO1 7a_100011215305_102125554688 [0,0,0,1,0,0|3,0,0]=4 11386 B11R1.99 ClCCOCCOC[C@@H]1CO1 7a_100011215305_100000745022 [0,0,0,1,0,0|3,0,0]=4 11387 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [0,0,0,1,0,0|2,0,0]=3 11388 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,0,0,1,0,0|2,0,0]=3 11389 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [0,0,0,1,0,0|2,0,0]=3 11390 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [0,0,0,1,0,0|2,0,0]=3 11391 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [0,0,0,1,0,0|2,0,0]=3 11392 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [0,0,0,1,0,0|2,0,0]=3 11393 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [0,0,0,1,0,0|2,0,0]=3 11394 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [0,0,0,1,0,0|2,0,0]=3 11395 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [0,0,0,1,0,0|2,0,0]=3 11396 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [0,0,0,1,0,0|2,0,0]=3 11397 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [0,0,0,1,0,0|2,0,0]=3 11398 B11R1.99 FCCCCCSCC1CS1 62a_100000031435_100000729378 [0,0,0,1,0,0|2,1,0]=4 11399 B11R1.99 FCCCCCSCC1CS1 62a_100000729378_100000031435 [0,0,0,1,0,0|2,1,0]=4 11400 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [0,0,0,1,0,0|2,0,0]=3 11401 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [0,0,0,1,0,0|2,0,0]=3 11402 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [0,0,0,1,0,0|2,0,0]=3 11403 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [0,0,0,1,0,0|2,0,0]=3 11404 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [0,0,0,1,0,0|2,0,0]=3 11405 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [0,0,0,1,0,0|2,0,0]=3 11406 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [0,0,0,1,0,0|2,0,0]=3 11407 B11R1.99 FCCCCOCCC1CO1 34a_100011995726_100000732470 [0,0,0,1,0,0|2,0,0]=3 11408 B11R1.99 FCCCCOCCC1CO1 7a_100011995726_100000732470 [0,0,0,1,0,0|2,0,0]=3 11409 B11R1.99 FCCCCOCC[C@@H]1CO1 34a_100009820653_100000729493 [0,0,0,1,0,0|2,0,0]=3 11410 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [0,0,0,1,0,0|2,0,0]=3 11411 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [0,0,0,1,0,0|2,0,0]=3 11412 B11R1.99 FCCCCSCCC1CO1 62a_100000729493_100000732470 [0,0,0,1,0,0|2,0,0]=3 11413 B11R1.99 FCCCCSCCC1CO1 62a_100000732470_100000729493 [0,0,0,1,0,0|2,0,0]=3 11414 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [0,0,0,1,0,0|2,0,0]=3 11415 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [0,0,0,1,0,0|2,0,0]=3 11416 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [0,0,0,1,0,0|2,0,0]=3 11417 B11R1.99 FCCCOCCNC1CC1 34a_100000738766_100011934791 [0,0,0,1,0,0|3,0,0]=4 11418 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [0,0,0,1,0,0|2,0,0]=3 11419 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [0,0,0,1,0,0|2,0,0]=3 11420 B11R1.99 FCCOCCOCC1CC1 34a_200015357709_100000742324 [0,0,0,1,0,0|3,0,0]=4 11421 B11R1.99 FCCOCCOCC1CC1 7a_200015357709_100000742324 [0,0,0,1,0,0|3,0,0]=4 11422 B11R1.99 FCCOCCOCC1CO1 34a_200015357709_102125554688 [0,0,0,1,0,0|3,0,0]=4 11423 B11R1.99 FCCOCCOCC1CO1 7a_200015357709_102125554688 [0,0,0,1,0,0|3,0,0]=4 11424 B11R1.99 FCCOCCOC[C@@H]1CO1 7a_200015357709_100000745022 [0,0,0,1,0,0|3,0,0]=4 11425 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [0,0,0,1,0,0|2,0,0]=3 11426 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [0,0,0,1,0,0|2,0,0]=3 11427 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [0,0,0,1,0,0|2,0,0]=3 11428 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [0,0,0,1,0,0|2,0,0]=3 11429 B11R1.99 ICCCCCOCC1CS1 7a_200012148887_100000031435 [0,0,0,1,0,0|2,1,0]=4 11430 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [0,0,0,1,0,0|2,0,0]=3 11431 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [0,0,0,1,0,0|2,0,0]=3 11432 B11R1.99 ICCCCOCCC1CO1 34a_200012148704_100000732470 [0,0,0,1,0,0|2,0,0]=3 11433 B11R1.99 ICCOCCOCC1CC1 34a_100012149058_100000742324 [0,0,0,1,0,0|3,0,0]=4 11434 B11R1.99 ICCOCCOCC1CC1 7a_100012149058_100000742324 [0,0,0,1,0,0|3,0,0]=4 11435 B11R1.99 ICCOCCOCC1CO1 34a_100012149058_102125554688 [0,0,0,1,0,0|3,0,0]=4 11436 B11R1.99 ICCOCCOCC1CO1 7a_100012149058_102125554688 [0,0,0,1,0,0|3,0,0]=4 11437 B11R1.99 ICCOCCOC[C@@H]1CO1 7a_100012149058_100000745022 [0,0,0,1,0,0|3,0,0]=4 11438 B11R1.99 N#CCCCCCSC1CC1 62a_100009813376_100000211595 [0,0,0,1,0,0|2,0,1]=4 11439 B11R1.99 N#CCCCCNCC1CC1 2230a_100000735609_100000211819 [0,0,0,1,0,0|2,0,1]=4 11440 B11R1.99 N#CCCCCSCC1CC1 62a_100000756562_100000211819 [0,0,0,1,0,0|2,0,1]=4 11441 B11R1.99 N#CCCCCSCC1CC1 62a_100011219923_100000742324 [0,0,0,1,0,0|2,0,1]=4 11442 B11R1.99 N#CCCCCSCC1CO1 62a_100011219923_102125554688 [0,0,0,1,0,0|2,0,1]=4 11443 B11R1.99 N#CCCCCSCC1CO1 62a_102125554688_100000211819 [0,0,0,1,0,0|2,0,1]=4 11444 B11R1.99 N#CCCCCSC[C@@H]1CO1 62a_100000745022_100000211819 [0,0,0,1,0,0|2,0,1]=4 11445 B11R1.99 N#CCCCCSC[C@@H]1CO1 62a_100011219923_100000745022 [0,0,0,1,0,0|2,0,1]=4 11446 B11R1.99 N#CCCCOCCC1CC1 7a_100000754188_100000687738 [0,0,0,1,0,0|2,0,1]=4 11447 B11R1.99 N#CCCCSCCC1CC1 62a_100000687738_100000764125 [0,0,0,1,0,0|2,0,1]=4 11448 B11R1.99 N#CCCCSCCC1CC1 62a_100000764125_100000687738 [0,0,0,1,0,0|2,0,1]=4 11449 B11R1.99 N#CCCCSCCC1CO1 62a_100000687738_100000732470 [0,0,0,1,0,0|2,0,1]=4 11450 B11R1.99 N#CCCCSCCC1CO1 62a_100000732470_100000687738 [0,0,0,1,0,0|2,0,1]=4 11451 B11R1.99 N#CCCSCCCC1CO1 62a_100000733510_100011215226 [0,0,0,1,0,0|2,0,1]=4 11452 B11R1.99 N#CCCSCCCC1CO1 62a_100011215226_100000733510 [0,0,0,1,0,0|2,0,1]=4 11453 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,0,0,1,0,0|2,0,0]=3 11454 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,0,0,1,0,0|2,0,0]=3 11455 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,0,0,1,0,0|2,0,0]=3 11456 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,0,0,1,0,0|2,0,0]=3 11457 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [0,0,0,1,0,0|2,0,0]=3 11458 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,0,0,1,0,0|2,0,0]=3 11459 B11R1.99 NCCOCCOCC1CC1 34a_100000211614_100000742324 [0,0,0,1,0,0|3,0,0]=4 11460 B11R1.99 NCCOCCOCC1CO1 34a_100000211614_102125554688 [0,0,0,1,0,0|3,0,0]=4 11461 B11R1.99 NOCCOCCCC1CO1 34a_100000700252_100000733510 [0,0,0,1,0,0|3,0,0]=4 11462 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [0,0,0,1,0,0|1,0,2]=4 11463 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,0,0,1,0,0|1,0,2]=4 11464 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,0,0,1,0,0|1,0,2]=4 11465 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,0,0,1,0,0|1,0,2]=4 11466 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,0,0,1,0,0|2,0,1]=4 11467 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,0,0,1,0,0|2,0,1]=4 11468 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,0,0,1,0,0|2,0,1]=4 11469 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,0,0,1,0,0|2,0,1]=4 11470 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,0,0,1,0,0|1,0,2]=4 11471 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,0,0,1,0,0|1,0,2]=4 11472 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,0,0,1,0,0|1,0,2]=4 11473 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [0,0,0,1,0,0|2,0,1]=4 11474 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [0,0,0,1,0,0|2,0,1]=4 11475 B11R1.99 OCC#CCNCCC1CC1 34a_100000764129_200000047223 [0,0,0,1,0,0|1,0,2]=4 11476 B11R1.99 OCC#CCOCCC1CC1 34a_100000754188_200000047223 [0,0,0,1,0,0|1,0,2]=4 11477 B11R1.99 OCC#CCOCCC1CC1 7a_100000754188_200000047223 [0,0,0,1,0,0|1,0,2]=4 11478 B11R1.99 OCC#CCSCCC1CC1 62a_100000764125_200000047223 [0,0,0,1,0,0|1,0,2]=4 11479 B11R1.99 OCC#CCSCCC1CC1 62a_200000047223_100000764125 [0,0,0,1,0,0|1,0,2]=4 11480 B11R1.99 OCCCCC=NNC1CC1 4a_100000701032_100000031955 [0,0,0,1,0,0|2,0,1]=4 11481 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,0,0,1,0,0|1,0,0]=2 11482 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,0,0,1,0,0|1,0,0]=2 11483 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,0,0,1,0,0|1,0,0]=2 11484 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,0,0,1,0,0|1,0,0]=2 11485 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,0,0,1,0,0|1,0,0]=2 11486 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,0,0,1,0,0|1,0,0]=2 11487 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,0,0,1,0,0|1,0,0]=2 11488 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,0,0,1,0,0|1,0,0]=2 11489 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,0,0,1,0,0|2,0,0]=3 11490 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,0,0,1,0,0|2,0,0]=3 11491 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,0,0,1,0,0|1,0,0]=2 11492 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,0,0,1,0,0|2,0,0]=3 11493 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,0,0,1,0,0|1,0,0]=2 11494 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,0,0,1,0,0|1,0,0]=2 11495 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,0,0,1,0,0|2,0,0]=3 11496 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,0,0,1,0,0|2,0,0]=3 11497 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [0,0,0,1,0,0|2,0,0]=3 11498 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [0,0,0,1,0,0|2,0,0]=3 11499 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,0,0,1,0,0|2,0,0]=3 11500 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,0,0,1,0,0|2,0,0]=3 11501 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,0,0,1,0,0|1,0,0]=2 11502 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,0,0,1,0,0|1,0,0]=2 11503 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,0,0,1,0,0|1,0,0]=2 11504 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [0,0,0,1,0,0|2,0,0]=3 11505 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [0,0,0,1,0,0|2,0,0]=3 11506 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,0,0,1,0,0|1,0,0]=2 11507 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,0,0,1,0,0|1,0,0]=2 11508 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [0,0,0,1,0,0|2,0,0]=3 11509 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,0,0,1,0,0|1,0,0]=2 11510 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,0,0,1,0,0|1,0,0]=2 11511 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [0,0,0,1,0,0|2,0,0]=3 11512 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [0,0,0,1,0,0|2,0,0]=3 11513 B11R1.99 OCCCOCC#CC1CC1 34a_100000083941_100000230001 [0,0,0,1,0,0|1,0,2]=4 11514 B11R1.99 OCCCOCC#CC1CC1 7a_100000083941_100011215043 [0,0,0,1,0,0|1,0,2]=4 11515 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [0,0,0,1,0,0|2,0,0]=3 11516 B11R1.99 OCCCSCC#CC1CC1 62a_100009895102_100011215043 [0,0,0,1,0,0|1,0,2]=4 11517 B11R1.99 OCCCSCC#CC1CC1 62a_100011215043_100009895102 [0,0,0,1,0,0|1,0,2]=4 11518 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,0,0,1,0,0|2,0,0]=3 11519 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,0,0,1,0,0|2,0,0]=3 11520 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [0,0,0,1,0,0|2,0,0]=3 11521 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [0,0,0,1,0,0|2,0,0]=3 11522 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [0,0,0,1,0,0|2,0,0]=3 11523 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [0,0,0,1,0,0|2,0,0]=3 11524 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [0,0,0,1,0,0|2,0,0]=3 11525 B11R1.99 OCCOCCNCC1CO1 2230a_100000211614_100011216344 [0,0,0,1,0,0|3,0,0]=4 11526 B11R1.99 OCCOCCNCC1CO1 34a_100000211614_102125554688 [0,0,0,1,0,0|3,0,0]=4 11527 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [0,0,0,1,0,0|2,0,0]=3 11528 B11R1.99 OCCOCCOC[C@@H]1CO1 34a_100000757423_100000692535 [0,0,0,1,0,0|3,0,0]=4 11529 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [0,0,0,1,0,0|2,0,0]=3 11530 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [0,0,0,1,0,0|2,0,0]=3 11531 B11R1.99 OCCOCCSCC1CO1 62a_100011215305_102125554688 [0,0,0,1,0,0|3,0,0]=4 11532 B11R1.99 OCCOCCSCC1CO1 62a_102125554688_100011215305 [0,0,0,1,0,0|3,0,0]=4 11533 B11R1.99 OCCOCCSCC1CS1 62a_100000031435_100011215305 [0,0,0,1,0,0|3,0,0]=4 11534 B11R1.99 OCCOCCSCC1CS1 62a_100011215305_100000031435 [0,0,0,1,0,0|3,0,0]=4 11535 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100000745022_100011215305 [0,0,0,1,0,0|3,0,0]=4 11536 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100011215305_100000745022 [0,0,0,1,0,0|3,0,0]=4 11537 B11R1.99 OCCSCCNCC1CC1 2230a_100011219999_100000742324 [0,0,0,1,0,0|2,0,0]=3 11538 B11R1.99 OCCSCCNCC1CC1 269862a_100011219999_100000741477 [0,0,0,1,0,0|2,0,0]=3 11539 B11R1.99 OCCSCCNCC1CO1 2230a_100011219999_100011216344 [0,0,0,1,0,0|3,0,0]=4 11540 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [0,0,0,1,0,0|2,0,0]=3 11541 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [0,0,0,1,0,0|2,0,0]=3 11542 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [0,0,0,1,0,0|2,0,0]=3 11543 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [0,0,0,1,0,0|2,0,0]=3 11544 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [0,0,0,1,0,0|3,0,0]=4 11545 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [0,0,0,1,0,0|3,0,0]=4 11546 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [0,0,0,1,0,0|3,0,0]=4 11547 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [0,0,0,1,0,0|3,0,0]=4 11548 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [0,0,0,1,0,0|3,0,0]=4 11549 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [0,0,0,1,0,0|3,0,0]=4 11550 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [0,0,0,1,0,0|3,0,0]=4 11551 B11R1.109 COC[C@@H]1CCCN1CCF 2230a_100020646714_100011217306 [0,0,0,1,0,0|3,0,0]=4 11552 B11R1.109 COC[C@@H]1CCCN1CCF 269982a_100020646714_100011217306 [0,0,0,1,0,0|3,0,0]=4 11553 B11R1.109 COC[C@@H]1CCCN1CCF 34a_100020646714_100011217306 [0,0,0,1,0,0|3,0,0]=4 11554 B11R1.109 COC[C@@H]1CCCN1CCO 2230a_100020646714_100000211926 [0,0,0,1,0,0|2,0,0]=3 11555 B11R1.109 COC[C@@H]1CCCN1CCO 269982a_100020646714_100000211926 [0,0,0,1,0,0|2,0,0]=3 11556 B11R1.109 COC[C@@H]1CCCN1CCO 34a_100020646714_100000211926 [0,0,0,1,0,0|2,0,0]=3 11557 B11R1.117 C#CCN1CCCCCCC1 2230a_100000211400_100000038162 [0,0,0,1,0,0|2,0,1]=4 11558 B11R1.117 C#CCN1CCCCCCC1 34a_100000211400_100000184674 [0,0,0,1,0,0|2,0,1]=4 11559 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [0,0,0,1,0,0|2,0,1]=4 11560 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [0,0,0,1,0,0|2,0,1]=4 11561 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [0,0,0,1,0,0|2,0,1]=4 11562 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,0,0,1,0,0|2,0,0]=3 11563 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,0,0,1,0,0|2,0,0]=3 11564 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,0,0,1,0,0|2,0,0]=3 11565 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,0,0,1,0,0|2,0,0]=3 11566 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,0,0,1,0,0|2,0,0]=3 11567 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,0,0,1,0,0|2,0,0]=3 11568 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,0,0,1,0,0|2,0,1]=4 11569 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,0,0,1,0,0|2,0,0]=3 11570 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,0,0,1,0,0|2,0,0]=3 11571 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,0,0,1,0,0|2,0,0]=3 11572 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,0,0,1,0,0|2,0,0]=3 11573 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,0,0,1,0,0|3,0,0]=4 11574 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,0,0,1,0,0|3,0,0]=4 11575 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,0,0,1,0,0|3,0,0]=4 11576 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,0,0,1,0,0|3,0,0]=4 11577 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,0,0,1,0,0|3,0,0]=4 11578 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,0,0,1,0,0|2,0,0]=3 11579 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,0,0,1,0,0|2,0,0]=3 11580 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,0,0,1,0,0|2,0,0]=3 11581 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,0,0,1,0,0|2,0,0]=3 11582 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,0,0,1,0,0|2,0,0]=3 11583 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,0,0,1,0,0|2,0,0]=3 11584 B11R1.117 N#CCN1CCCCCCC1 2230a_100000211400_100011215382 [0,0,0,1,0,0|2,0,1]=4 11585 B11R1.117 N#CCN1CCCCCCC1 269982a_100000211400_100011214920 [0,0,0,1,0,0|2,0,1]=4 11586 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,0,0,1,0,0|1,0,2]=4 11587 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,0,0,1,0,0|1,0,2]=4 11588 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,0,0,1,0,0|1,0,2]=4 11589 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,0,0,1,0,0|1,0,0]=2 11590 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,0,0,1,0,0|1,0,0]=2 11591 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,0,0,1,0,0|1,0,0]=2 11592 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,0,0,1,0,0|2,0,0]=3 11593 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,0,0,1,0,0|2,0,0]=3 11594 B11R1.180 C#CCCCN1CCC[C@@H]1C 2230a_100020605311_100000731252 [0,0,0,1,0,0|2,0,1]=4 11595 B11R1.180 C#CCCCN1CCC[C@@H]1C 269982a_100020605311_100011215417 [0,0,0,1,0,0|2,0,1]=4 11596 B11R1.180 C#CCCCN1CCC[C@H]1C 2230a_100015189458_100000731252 [0,0,0,1,0,0|2,0,1]=4 11597 B11R1.180 C#CCCCN1CCC[C@H]1C 269982a_100015189458_100011215417 [0,0,0,1,0,0|2,0,1]=4 11598 B11R1.180 C#CCCCN1CCC[C@H]1C 34a_100015189458_100000695029 [0,0,0,1,0,0|2,0,1]=4 11599 B11R1.180 C#CCCOC1CCCC1C 34a_100011216460_100000688953 [0,0,0,1,0,0|2,0,1]=4 11600 B11R1.180 C#CCCOC1CCCC1C 7a_100011216460_100000688953 [0,0,0,1,0,0|2,0,1]=4 11601 B11R1.180 C#CCCS[C@@H]1CCC[C@H]1O 62a_100000688953_200016002552 [0,0,0,1,0,0|1,0,2]=4 11602 B11R1.180 C#CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000688953 [0,0,0,1,0,0|1,0,2]=4 11603 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_100102629194_200016002552 [0,0,0,1,0,0|1,0,2]=4 11604 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100102629194 [0,0,0,1,0,0|1,0,2]=4 11605 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [0,0,0,1,0,0|2,0,1]=4 11606 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [0,0,0,1,0,0|2,0,1]=4 11607 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [0,0,0,1,0,0|2,0,1]=4 11608 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [0,0,0,1,0,0|2,0,1]=4 11609 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [0,0,0,1,0,0|2,0,1]=4 11610 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [0,0,0,1,0,0|2,0,1]=4 11611 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [0,0,0,1,0,0|2,0,1]=4 11612 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [0,0,0,1,0,0|2,0,1]=4 11613 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [0,0,0,1,0,0|1,0,2]=4 11614 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [0,0,0,1,0,0|1,0,2]=4 11615 B11R1.180 CC#CCS[C@@H]1CCC[C@H]1O 62a_100000748600_200016002552 [0,0,0,1,0,0|1,0,2]=4 11616 B11R1.180 CC#CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000748600 [0,0,0,1,0,0|1,0,2]=4 11617 B11R1.180 CC1CCCC1=NNCCO 4a_100000210001_100000752053 [0,0,0,1,0,0|2,0,1]=4 11618 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [0,0,0,1,0,0|2,0,0]=3 11619 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,0,0,1,0,0|1,0,0]=2 11620 B11R1.180 CC1CCCC1OCCC#N 7a_100011216460_100000184422 [0,0,0,1,0,0|2,0,1]=4 11621 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [0,0,0,1,0,0|2,0,0]=3 11622 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [0,0,0,1,0,0|2,0,0]=3 11623 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,0,0,1,0,0|1,0,0]=2 11624 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,0,0,1,0,0|1,0,0]=2 11625 B11R1.180 CC1OCCC1NCCCF 270004a_100015189416_100000691750 [0,0,0,1,0,0|3,0,0]=4 11626 B11R1.180 CC1OCCC1NCCCO 270004a_100000182051_100000691750 [0,0,0,1,0,0|2,0,0]=3 11627 B11R1.180 CC1SCCN1CCCCF 2230a_200011216479_100000729493 [0,0,0,1,0,0|3,0,0]=4 11628 B11R1.180 CC1SCCN1CCCCF 269982a_200011216479_100000729493 [0,0,0,1,0,0|3,0,0]=4 11629 B11R1.180 CC1SCCN1CCCCF 34a_200011216479_100000729493 [0,0,0,1,0,0|3,0,0]=4 11630 B11R1.180 CC1SCCN1CCCCO 2230a_200011216479_100000210776 [0,0,0,1,0,0|2,0,0]=3 11631 B11R1.180 CC1SCCN1CCCCO 269982a_200011216479_100000210776 [0,0,0,1,0,0|2,0,0]=3 11632 B11R1.180 CC1SCCN1CCCCO 34a_200011216479_100011216708 [0,0,0,1,0,0|2,0,0]=3 11633 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_100000070051_200016002552 [0,0,0,1,0,0|1,0,2]=4 11634 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000070051 [0,0,0,1,0,0|1,0,2]=4 11635 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,0,0,1,0,0|2,0,0]=3 11636 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,0,0,1,0,0|2,0,0]=3 11637 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,0,0,1,0,0|2,0,0]=3 11638 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,0,0,1,0,0|2,0,0]=3 11639 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,0,0,1,0,0|2,0,0]=3 11640 B11R1.180 CCCCCN1CCSC1C 2230a_200011216479_100000210326 [0,0,0,1,0,0|3,0,0]=4 11641 B11R1.180 CCCCCN1CCSC1C 269982a_200011216479_100000210215 [0,0,0,1,0,0|3,0,0]=4 11642 B11R1.180 CCCCCN1CCSC1C 34a_200011216479_100000718602 [0,0,0,1,0,0|3,0,0]=4 11643 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,0,0,1,0,0|1,0,2]=4 11644 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,0,0,1,0,0|1,0,2]=4 11645 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [0,0,0,1,0,0|2,0,0]=3 11646 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [0,0,0,1,0,0|3,0,0]=4 11647 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,0,0,1,0,0|2,0,0]=3 11648 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,0,0,1,0,0|2,0,0]=3 11649 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,0,0,1,0,0|1,0,2]=4 11650 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,0,0,1,0,0|1,0,2]=4 11651 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,0,0,1,0,0|1,0,2]=4 11652 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [0,0,0,1,0,0|2,0,0]=3 11653 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [0,0,0,1,0,0|2,0,0]=3 11654 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,0,0,1,0,0|2,0,0]=3 11655 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,0,0,1,0,0|2,0,0]=3 11656 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [0,0,0,1,0,0|2,0,0]=3 11657 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [0,0,0,1,0,0|2,0,0]=3 11658 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [0,0,0,1,0,0|3,0,0]=4 11659 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [0,0,0,1,0,0|3,0,0]=4 11660 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,0,0,1,0,0|1,0,2]=4 11661 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,0,0,1,0,0|1,0,2]=4 11662 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,0,0,1,0,0|2,0,0]=3 11663 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,0,0,1,0,0|2,0,0]=3 11664 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,0,0,1,0,0|1,0,0]=2 11665 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,0,0,1,0,0|1,0,0]=2 11666 B11R1.180 CCCNN=C1CCCC1O 4a_100000740057_200000719330 [0,0,0,1,0,0|2,0,1]=4 11667 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [0,0,0,1,0,0|3,0,0]=4 11668 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,0,0,1,0,0|3,0,0]=4 11669 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [0,0,0,1,0,0|3,0,0]=4 11670 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [0,0,0,1,0,0|3,0,0]=4 11671 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [0,0,0,1,0,0|3,0,0]=4 11672 B11R1.180 CCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215890 [0,0,0,1,0,0|3,0,0]=4 11673 B11R1.180 CCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215890 [0,0,0,1,0,0|3,0,0]=4 11674 B11R1.180 CCOCCN1CCC[C@H]1C 2230a_100015189458_100011215890 [0,0,0,1,0,0|3,0,0]=4 11675 B11R1.180 CCOCCN1CCC[C@H]1C 269982a_100015189458_100011215890 [0,0,0,1,0,0|3,0,0]=4 11676 B11R1.180 CCOCCN1CCC[C@H]1C 34a_100015189458_100000210147 [0,0,0,1,0,0|3,0,0]=4 11677 B11R1.180 CCOCSC1COCC1O 62a_100000739092_200000725654 [0,0,0,1,0,0|3,0,0]=4 11678 B11R1.180 CCOCSC1COCC1O 62a_200000725654_100000739092 [0,0,0,1,0,0|3,0,0]=4 11679 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_100000739092_200016002552 [0,0,0,1,0,0|2,0,0]=3 11680 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000739092 [0,0,0,1,0,0|2,0,0]=3 11681 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [0,0,0,1,0,0|3,0,0]=4 11682 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [0,0,0,1,0,0|3,0,0]=4 11683 B11R1.180 CCSCCN1CCC[C@@H]1C 2230a_100020605311_100000757381 [0,0,0,1,0,0|3,0,0]=4 11684 B11R1.180 CCSCCN1CCC[C@@H]1C 269982a_100020605311_100000757381 [0,0,0,1,0,0|3,0,0]=4 11685 B11R1.180 CCSCCN1CCC[C@H]1C 2230a_100015189458_100000757381 [0,0,0,1,0,0|3,0,0]=4 11686 B11R1.180 CCSCCN1CCC[C@H]1C 269982a_100015189458_100000757381 [0,0,0,1,0,0|3,0,0]=4 11687 B11R1.180 CCSCCN1CCC[C@H]1C 34a_100015189458_100000757381 [0,0,0,1,0,0|3,0,0]=4 11688 B11R1.180 CN1CCCC1CCOCF 34a_100011215177_100015361967 [0,0,0,1,0,0|3,0,0]=4 11689 B11R1.180 CN1CCCC1CCOCF 7a_100011215177_100015361967 [0,0,0,1,0,0|3,0,0]=4 11690 B11R1.180 CN1CCCC1CCSCF 62a_100000005710_100015361967 [0,0,0,1,0,0|3,0,0]=4 11691 B11R1.180 CN1CCCC1CCSCF 62a_100015361967_100000005710 [0,0,0,1,0,0|3,0,0]=4 11692 B11R1.180 CN1CCCC1COCCF 34a_100000743107_100011217306 [0,0,0,1,0,0|3,0,0]=4 11693 B11R1.180 CN1CCCC1COCCO 34a_100000743107_100000211926 [0,0,0,1,0,0|2,0,0]=3 11694 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [0,0,0,1,0,0|3,0,0]=4 11695 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [0,0,0,1,0,0|3,0,0]=4 11696 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [0,0,0,1,0,0|3,0,0]=4 11697 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [0,0,0,1,0,0|3,0,0]=4 11698 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [0,0,0,1,0,0|3,0,0]=4 11699 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [0,0,0,1,0,0|3,0,0]=4 11700 B11R1.180 COCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011201679 [0,0,0,1,0,0|3,0,0]=4 11701 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,0,0,1,0,0|3,0,0]=4 11702 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,0,0,1,0,0|3,0,0]=4 11703 B11R1.180 COCCOC1COCC1O 34a_100000210237_200000725654 [0,0,0,1,0,0|3,0,0]=4 11704 B11R1.180 COCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011201679 [0,0,0,1,0,0|3,0,0]=4 11705 B11R1.180 COCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011201679 [0,0,0,1,0,0|3,0,0]=4 11706 B11R1.180 COCCSC1COCC1O 62a_100000233755_200000725654 [0,0,0,1,0,0|3,0,0]=4 11707 B11R1.180 COCCSC1COCC1O 62a_200000725654_100000233755 [0,0,0,1,0,0|3,0,0]=4 11708 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [0,0,0,1,0,0|2,0,0]=3 11709 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [0,0,0,1,0,0|2,0,0]=3 11710 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [0,0,0,1,0,0|3,0,0]=4 11711 B11R1.180 CSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000751147 [0,0,0,1,0,0|3,0,0]=4 11712 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [0,0,0,1,0,0|3,0,0]=4 11713 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [0,0,0,1,0,0|3,0,0]=4 11714 B11R1.180 CSCCOC1COCC1O 34a_100000230434_200000725654 [0,0,0,1,0,0|3,0,0]=4 11715 B11R1.180 CSCCOC1COCC1O 7a_100000230434_200000725654 [0,0,0,1,0,0|3,0,0]=4 11716 B11R1.180 CSCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000212216 [0,0,0,1,0,0|3,0,0]=4 11717 B11R1.180 CSCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000212216 [0,0,0,1,0,0|3,0,0]=4 11718 B11R1.180 CSCCSC1COCC1O 62a_100000212216_200000725654 [0,0,0,1,0,0|3,0,0]=4 11719 B11R1.180 CSCCSC1COCC1O 62a_200000725654_100000751147 [0,0,0,1,0,0|3,0,0]=4 11720 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_100000212216_200016002552 [0,0,0,1,0,0|2,0,0]=3 11721 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000751147 [0,0,0,1,0,0|2,0,0]=3 11722 B11R1.180 C[C@@H]1CCCN1CC#CCO 2230a_100015189458_200000047223 [0,0,0,1,0,0|1,0,2]=4 11723 B11R1.180 C[C@@H]1CCCN1CC#CCO 34a_100015189458_200000047223 [0,0,0,1,0,0|1,0,2]=4 11724 B11R1.180 C[C@@H]1CCCN1CCCC#N 2230a_100015189458_100000687738 [0,0,0,1,0,0|2,0,1]=4 11725 B11R1.180 C[C@@H]1CCCN1CCCC#N 269982a_100015189458_100000687738 [0,0,0,1,0,0|2,0,1]=4 11726 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,0,0,1,0,0|1,0,2]=4 11727 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,0,0,1,0,0|1,0,2]=4 11728 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [0,0,0,1,0,0|2,0,0]=3 11729 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [0,0,0,1,0,0|2,0,0]=3 11730 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [0,0,0,1,0,0|2,0,0]=3 11731 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,0,0,1,0,0|1,0,0]=2 11732 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,0,0,1,0,0|1,0,0]=2 11733 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,0,0,1,0,0|1,0,0]=2 11734 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCF 34a_200015306588_100011934791 [0,0,0,1,0,0|3,0,0]=4 11735 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [0,0,0,1,0,0|2,0,0]=3 11736 B11R1.180 C[C@H]1CCCN1CC#CCO 2230a_100020605311_200000047223 [0,0,0,1,0,0|1,0,2]=4 11737 B11R1.180 C[C@H]1CCCN1CCCC#N 2230a_100020605311_100000687738 [0,0,0,1,0,0|2,0,1]=4 11738 B11R1.180 C[C@H]1CCCN1CCCC#N 269982a_100020605311_100000687738 [0,0,0,1,0,0|2,0,1]=4 11739 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,0,0,1,0,0|1,0,2]=4 11740 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,0,0,1,0,0|1,0,2]=4 11741 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [0,0,0,1,0,0|2,0,0]=3 11742 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [0,0,0,1,0,0|2,0,0]=3 11743 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,0,0,1,0,0|1,0,0]=2 11744 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,0,0,1,0,0|1,0,0]=2 11745 B11R1.180 FCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011934791 [0,0,0,1,0,0|3,0,0]=4 11746 B11R1.180 N#CCCS[C@@H]1CCC[C@H]1O 62a_100011215226_200016002552 [0,0,0,1,0,0|2,0,1]=4 11747 B11R1.180 N#CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215226 [0,0,0,1,0,0|2,0,1]=4 11748 B11R1.180 NCCCOC1COCC1O 34a_100000182051_200000725654 [0,0,0,1,0,0|3,0,0]=4 11749 B11R1.180 N[C@H]1CCC[C@@H]1OCCCF 34a_100000748460_100011934791 [0,0,0,1,0,0|3,0,0]=4 11750 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [0,0,0,1,0,0|2,0,0]=3 11751 B11R1.180 N[C@H]1COC[C@@H]1OCCCO 34a_100015191717_100000230001 [0,0,0,1,0,0|3,0,0]=4 11752 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,0,0,1,0,0|2,0,1]=4 11753 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,0,0,1,0,0|2,0,1]=4 11754 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,0,0,1,0,0|2,0,1]=4 11755 B11R1.180 OC1COCC1NCCCF 34a_100015189416_200000725654 [0,0,0,1,0,0|3,0,0]=4 11756 B11R1.180 OC1COCC1OCCCBr 34a_100011217188_200000725654 [0,0,0,1,0,0|3,0,0]=4 11757 B11R1.180 OC1COCC1OCCCCl 34a_100000230001_200000725654 [0,0,0,1,0,0|3,0,0]=4 11758 B11R1.180 OC1COCC1OCCCF 34a_100000759539_200000725654 [0,0,0,1,0,0|3,0,0]=4 11759 B11R1.180 OC1COCC1SCCCF 62a_100011934791_200000725654 [0,0,0,1,0,0|3,0,0]=4 11760 B11R1.180 OC1COCC1SCCCF 62a_200000725654_100011934791 [0,0,0,1,0,0|3,0,0]=4 11761 B11R1.180 OCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000230001 [0,0,0,1,0,0|3,0,0]=4 11762 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [0,0,0,1,0,0|2,0,0]=3 11763 B11R1.180 OCCCSC1COCC1O 62a_100011215043_200000725654 [0,0,0,1,0,0|3,0,0]=4 11764 B11R1.180 OCCCSC1COCC1O 62a_200000725654_100011215043 [0,0,0,1,0,0|3,0,0]=4 11765 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [0,0,0,1,0,0|2,0,0]=3 11766 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [0,0,0,1,0,0|2,0,0]=3 11767 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_100011934791_200016002552 [0,0,0,1,0,0|2,0,0]=3 11768 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_200016002552_100011934791 [0,0,0,1,0,0|2,0,0]=3 11769 B11R1.180 O[C@H]1COC[C@@H]1NCCCF 2230a_100015191717_100011934791 [0,0,0,1,0,0|3,0,0]=4 11770 B11R1.190 C#CCCCCN1CCC1C 269982a_100000755817_100010269958 [0,0,0,1,0,0|2,0,1]=4 11771 B11R1.190 C#CCCCCN1CCC1C 34a_100000755817_100010269958 [0,0,0,1,0,0|2,0,1]=4 11772 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [0,0,0,1,0,0|2,0,1]=4 11773 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [0,0,0,1,0,0|2,0,1]=4 11774 B11R1.190 CC1CCN1CCCCC#N 269982a_100000755817_100011219923 [0,0,0,1,0,0|2,0,1]=4 11775 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,0,0,1,0,0|1,0,2]=4 11776 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [0,0,0,1,0,0|2,0,0]=3 11777 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [0,0,0,1,0,0|2,0,0]=3 11778 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,0,0,1,0,0|1,0,0]=2 11779 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,0,0,1,0,0|1,0,0]=2 11780 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [0,0,0,1,0,0|2,0,0]=3 11781 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [0,0,0,1,0,0|2,0,0]=3 11782 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,0,0,1,0,0|2,0,0]=3 11783 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,0,0,1,0,0|2,0,0]=3 11784 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|1,0,2]=4 11785 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|1,0,2]=4 11786 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|1,0,2]=4 11787 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|1,0,2]=4 11788 B11R1.190 CCCCOCN1CCC1C 269982a_100000755817_100011995733 [0,0,0,1,0,0|3,0,0]=4 11789 B11R1.190 CCCCOCN1CCC1C 34a_100000755817_100011995733 [0,0,0,1,0,0|3,0,0]=4 11790 B11R1.190 CCCOCCN1CCC1C 269982a_100000755817_100011215938 [0,0,0,1,0,0|3,0,0]=4 11791 B11R1.190 CCCOCCN1CCC1C 34a_100000755817_100011215938 [0,0,0,1,0,0|3,0,0]=4 11792 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|1,0,2]=4 11793 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|1,0,2]=4 11794 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [0,0,0,1,0,0|3,0,0]=4 11795 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [0,0,0,1,0,0|3,0,0]=4 11796 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [0,0,0,1,0,0|3,0,0]=4 11797 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [0,0,0,1,0,0|3,0,0]=4 11798 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,0,0,1,0,0|2,0,1]=4 11799 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,0,1,0,0|2,0,1]=4 11800 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,0,1,0,0|2,0,1]=4 11801 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,0,0,1,0,0|2,0,1]=4 11802 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,0,0,1,0,0|2,0,1]=4 11803 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,0,0,1,0,0|2,0,1]=4 11804 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,0,0,1,0,0|2,0,0]=3 11805 B11R1.203 C#CCCN1CCCCCC1 2230a_100000185865_100000688953 [0,0,0,1,0,0|2,0,1]=4 11806 B11R1.203 C#CCCN1CCCCCC1 269982a_100000185865_100000730999 [0,0,0,1,0,0|2,0,1]=4 11807 B11R1.203 C#CCCN1CCCCCC1 34a_100000185865_100000688953 [0,0,0,1,0,0|2,0,1]=4 11808 B11R1.203 C#CCNC1CCCCCC1 2230a_100000210984_100000038162 [0,0,0,1,0,0|2,0,1]=4 11809 B11R1.203 C#CCNC1CCCCCC1 34a_100000210984_100000184674 [0,0,0,1,0,0|2,0,1]=4 11810 B11R1.203 C#CCNC1CCCCCC1 34a_100000212058_100011217769 [0,0,0,1,0,0|2,0,1]=4 11811 B11R1.203 C#CCOC1CCCCCC1 34a_100000210247_100011217769 [0,0,0,1,0,0|2,0,1]=4 11812 B11R1.203 C#CCOC1CCCCCC1 34a_100000210887_100000184674 [0,0,0,1,0,0|2,0,1]=4 11813 B11R1.203 C#CCOC1CCCCCC1 7a_100000210887_100000038162 [0,0,0,1,0,0|2,0,1]=4 11814 B11R1.203 C#CCSC1CCCCCC1 62a_100000038162_100011217769 [0,0,0,1,0,0|2,0,1]=4 11815 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [0,0,0,1,0,0|2,0,1]=4 11816 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [0,0,0,1,0,0|2,0,1]=4 11817 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [0,0,0,1,0,0|2,0,1]=4 11818 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,0,0,1,0,0|2,0,1]=4 11819 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,0,0,1,0,0|2,0,1]=4 11820 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,0,0,1,0,0|2,0,1]=4 11821 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,0,0,1,0,0|2,0,1]=4 11822 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,0,0,1,0,0|2,0,1]=4 11823 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,0,0,1,0,0|2,0,1]=4 11824 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,0,0,1,0,0|2,0,1]=4 11825 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,0,0,1,0,0|2,0,1]=4 11826 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [0,0,0,1,0,0|2,0,0]=3 11827 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [0,0,0,1,0,0|2,0,0]=3 11828 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [0,0,0,1,0,0|2,0,0]=3 11829 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [0,0,0,1,0,0|3,0,0]=4 11830 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [0,0,0,1,0,0|3,0,0]=4 11831 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [0,0,0,1,0,0|3,0,0]=4 11832 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,0,0,1,0,0|2,0,0]=3 11833 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,0,0,1,0,0|2,0,0]=3 11834 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,0,0,1,0,0|2,0,0]=3 11835 B11R1.203 CCCNC1CCCNCC1 270004a_100020643023_100015187895 [0,0,0,1,0,0|3,0,0]=4 11836 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,0,0,1,0,0|2,0,0]=3 11837 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,0,0,1,0,0|2,0,0]=3 11838 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,0,0,1,0,0|2,0,0]=3 11839 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [0,0,0,1,0,0|2,0,0]=3 11840 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [0,0,0,1,0,0|2,0,0]=3 11841 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,0,0,1,0,0|2,0,0]=3 11842 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,0,0,1,0,0|2,0,0]=3 11843 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,0,0,1,0,0|2,0,0]=3 11844 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,0,0,1,0,0|2,0,0]=3 11845 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,0,0,1,0,0|2,0,0]=3 11846 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,0,0,1,0,0|2,0,0]=3 11847 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,0,0,1,0,0|2,0,0]=3 11848 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [0,0,0,1,0,0|3,0,0]=4 11849 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [0,0,0,1,0,0|2,0,0]=3 11850 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [0,0,0,1,0,0|2,0,0]=3 11851 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [0,0,0,1,0,0|2,0,0]=3 11852 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [0,0,0,1,0,0|2,0,0]=3 11853 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [0,0,0,1,0,0|3,0,0]=4 11854 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [0,0,0,1,0,0|3,0,0]=4 11855 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [0,0,0,1,0,0|3,0,0]=4 11856 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [0,0,0,1,0,0|3,0,0]=4 11857 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [0,0,0,1,0,0|3,0,0]=4 11858 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,0,0,1,0,0|3,0,0]=4 11859 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [0,0,0,1,0,0|3,0,0]=4 11860 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [0,0,0,1,0,0|3,0,0]=4 11861 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [0,0,0,1,0,0|3,0,0]=4 11862 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [0,0,0,1,0,0|3,0,0]=4 11863 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [0,0,0,1,0,0|3,0,0]=4 11864 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [0,0,0,1,0,0|3,0,0]=4 11865 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [0,0,0,1,0,0|3,0,0]=4 11866 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,0,0,1,0,0|3,0,0]=4 11867 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,0,0,1,0,0|3,0,0]=4 11868 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,0,0,1,0,0|3,0,0]=4 11869 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [0,0,0,1,0,0|3,0,0]=4 11870 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [0,0,0,1,0,0|3,0,0]=4 11871 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [0,0,0,1,0,0|2,0,0]=3 11872 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [0,0,0,1,0,0|2,0,0]=3 11873 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [0,0,0,1,0,0|2,0,0]=3 11874 B11R1.203 FCCCN1CCCOCC1 2230a_100000685342_100011934791 [0,0,0,1,0,0|3,0,0]=4 11875 B11R1.203 FCCCN1CCCOCC1 269982a_100000685342_100011934791 [0,0,0,1,0,0|3,0,0]=4 11876 B11R1.203 FCCCN1CCCOCC1 34a_100000685342_100011934791 [0,0,0,1,0,0|3,0,0]=4 11877 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,0,0,1,0,0|2,0,0]=3 11878 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,0,0,1,0,0|2,0,0]=3 11879 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,0,0,1,0,0|2,0,0]=3 11880 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,0,0,1,0,0|2,0,0]=3 11881 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,0,0,1,0,0|2,0,0]=3 11882 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [0,0,0,1,0,0|2,0,0]=3 11883 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [0,0,0,1,0,0|2,0,0]=3 11884 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,0,0,1,0,0|2,0,0]=3 11885 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [0,0,0,1,0,0|2,0,0]=3 11886 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [0,0,0,1,0,0|2,0,0]=3 11887 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [0,0,0,1,0,0|2,0,0]=3 11888 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [0,0,0,1,0,0|2,0,0]=3 11889 B11R1.203 N#CCCN1CCCCCC1 2230a_100000185865_100011215226 [0,0,0,1,0,0|2,0,1]=4 11890 B11R1.203 N#CCCN1CCCCCC1 269982a_100000185865_100011215226 [0,0,0,1,0,0|2,0,1]=4 11891 B11R1.203 N#CCNC1CCCCCC1 2230a_100000210984_100011215382 [0,0,0,1,0,0|2,0,1]=4 11892 B11R1.203 N#CCOC1CCCCCC1 7a_100000210887_100011215382 [0,0,0,1,0,0|2,0,1]=4 11893 B11R1.203 N#CCSC1CCCCCC1 62a_100011215382_100011217769 [0,0,0,1,0,0|2,0,1]=4 11894 B11R1.203 N#CCSC1CCCCCC1 62a_100011217769_100011215382 [0,0,0,1,0,0|2,0,1]=4 11895 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,0,0,1,0,0|2,0,0]=3 11896 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,0,0,1,0,0|1,0,2]=4 11897 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,0,0,1,0,0|1,0,2]=4 11898 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,0,0,1,0,0|1,0,2]=4 11899 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,0,0,1,0,0|1,0,2]=4 11900 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,0,0,1,0,0|1,0,2]=4 11901 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,0,0,1,0,0|1,0,2]=4 11902 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,0,0,1,0,0|1,0,0]=2 11903 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,0,0,1,0,0|1,0,0]=2 11904 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,0,0,1,0,0|1,0,0]=2 11905 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [0,0,0,1,0,0|2,0,0]=3 11906 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [0,0,0,1,0,0|2,0,0]=3 11907 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [0,0,0,1,0,0|2,0,0]=3 11908 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,0,0,1,0,0|1,0,0]=2 11909 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,0,0,1,0,0|1,0,0]=2 11910 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,0,0,1,0,0|1,0,0]=2 11911 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,0,0,1,0,0|1,0,0]=2 11912 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [0,0,0,1,0,0|2,0,0]=3 11913 B11R1.203 OCCNC1CSCCSC1 270004a_100000210304_100000068409 [0,0,0,1,0,0|3,0,0]=4 11914 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,0,0,1,0,0|1,0,0]=2 11915 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,0,0,1,0,0|1,0,0]=2 11916 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,0,0,1,0,0|1,0,0]=2 11917 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,0,0,1,0,0|1,0,0]=2 11918 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [0,0,0,1,0,0|2,0,0]=3 11919 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [0,0,0,1,0,0|2,0,0]=3 11920 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [0,0,0,1,0,0|3,0,0]=4 11921 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [0,0,0,1,0,0|3,0,0]=4 11922 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [0,0,0,1,0,0|3,0,0]=4 11923 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [0,0,0,1,0,0|3,0,0]=4 11924 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [0,0,0,1,0,0|3,0,0]=4 11925 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [0,0,0,1,0,0|3,0,0]=4 11926 B11R1.232 COCC1CCN1CCCF 2230a_100015195929_100011934791 [0,0,0,1,0,0|3,0,0]=4 11927 B11R1.232 COCC1CCN1CCCF 269982a_100015195929_100011934791 [0,0,0,1,0,0|3,0,0]=4 11928 B11R1.232 COCC1CCN1CCCF 34a_100015195929_100011934791 [0,0,0,1,0,0|3,0,0]=4 11929 B11R1.232 COCC1CCN1CCCO 2230a_100015195929_100000230001 [0,0,0,1,0,0|2,0,0]=3 11930 B11R1.232 COCC1CCN1CCCO 269982a_100015195929_100011215043 [0,0,0,1,0,0|2,0,0]=3 11931 B11R1.232 COCC1CCN1CCCO 34a_100015195929_100000230001 [0,0,0,1,0,0|2,0,0]=3 11932 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,0,0,1,0,0|2,0,0]=3 11933 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,0,0,1,0,0|2,0,0]=3 11934 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,0,0,1,0,0|2,0,0]=3 11935 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,0]=3 11936 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,0,0,1,0,0|2,0,0]=3 11937 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,0,0,1,0,0|2,0,0]=3 11938 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 11939 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 11940 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 11941 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 11942 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 11943 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 11944 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,0]=3 11945 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 11946 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 11947 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 11948 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,0]=3 11949 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,0]=3 11950 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,0]=3 11951 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,0]=3 11952 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,0]=3 11953 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,0]=3 11954 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 11955 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,0]=3 11956 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 11957 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 11958 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 11959 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,0]=3 11960 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,0]=3 11961 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 11962 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 11963 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,0]=3 11964 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 11965 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 11966 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,0]=3 11967 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,0]=3 11968 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,0]=3 11969 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|2,0,0]=4 11970 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|2,0,0]=4 11971 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 11972 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 11973 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,0]=3 11974 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 11975 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 11976 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 11977 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 11978 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 11979 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 11980 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|2,0,0]=4 11981 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,0]=3 11982 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,0]=3 11983 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 11984 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 11985 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,0]=3 11986 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,0]=3 11987 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|2,0,0]=4 11988 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|2,0,0]=4 11989 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|2,0,0]=4 11990 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|2,0,0]=4 11991 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,0]=3 11992 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,0]=3 11993 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 11994 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 11995 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 11996 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 11997 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,0]=3 11998 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,0]=3 11999 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|2,0,0]=4 12000 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|2,0,0]=4 12001 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|2,0,0]=4 12002 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|2,0,0]=4 12003 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|2,0,0]=4 12004 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|2,0,0]=4 12005 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 12006 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,0]=3 12007 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,0]=3 12008 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 12009 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 12010 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 12011 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 12012 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 12013 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,0]=3 12014 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,0]=3 12015 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 12016 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 12017 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 12018 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|2,0,0]=4 12019 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|2,0,0]=4 12020 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 12021 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|2,0,0]=4 12022 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|2,0,0]=4 12023 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 12024 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 12025 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 12026 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 12027 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|2,0,0]=4 12028 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|2,0,0]=4 12029 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|2,0,0]=4 12030 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 12031 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|2,0,0]=4 12032 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|2,0,0]=4 12033 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|2,0,0]=4 12034 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|2,0,0]=4 12035 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|2,0,0]=4 12036 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|2,0,0]=4 12037 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|2,0,0]=4 12038 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,0]=3 12039 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 12040 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 12041 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,0]=3 12042 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,0]=3 12043 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 12044 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 12045 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 12046 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|2,0,0]=4 12047 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|2,0,0]=4 12048 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 12049 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 12050 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 12051 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|2,0,0]=4 12052 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|2,0,0]=4 12053 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|2,0,0]=4 12054 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|2,0,0]=4 12055 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 12056 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 12057 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|2,0,0]=4 12058 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|2,0,0]=4 12059 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 12060 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 12061 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|2,0,0]=4 12062 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 12063 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 12064 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 12065 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 12066 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 12067 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 12068 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 12069 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 12070 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 12071 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 12072 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 12073 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 12074 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 12075 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 12076 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|2,0,0]=4 12077 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|2,0,0]=4 12078 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 12079 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 12080 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|2,0,0]=4 12081 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 12082 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 12083 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 12084 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|2,0,0]=4 12085 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 12086 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|2,0,0]=4 12087 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 12088 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 12089 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|2,0,0]=4 12090 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 12091 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|2,0,0]=4 12092 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|2,0,0]=4 12093 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 12094 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 12095 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 12096 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,0]=3 12097 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 12098 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|2,0,0]=4 12099 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|2,0,0]=4 12100 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|2,0,0]=4 12101 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 12102 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|2,0,0]=4 12103 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|2,0,0]=4 12104 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 12105 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|2,0,0]=4 12106 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|2,0,0]=4 12107 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 12108 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 12109 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,0]=3 12110 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 12111 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|2,0,0]=4 12112 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 12113 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|2,0,0]=4 12114 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 12115 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 12116 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 12117 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 12118 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [2,0,0,0,0,0|2,0,0]=4 12119 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 12120 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 12121 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 12122 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 12123 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 12124 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 12125 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 12126 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 12127 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,0]=3 12128 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|2,0,0]=4 12129 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|2,0,0]=4 12130 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 12131 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 12132 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 12133 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|2,0,0]=4 12134 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 12135 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 12136 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|2,0,0]=4 12137 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|2,0,0]=4 12138 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 12139 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [2,0,0,0,0,0|2,0,0]=4 12140 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 12141 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [2,0,0,0,0,0|2,0,0]=4 12142 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 12143 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 12144 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 12145 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 12146 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [2,0,0,0,0,0|2,0,0]=4 12147 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [2,0,0,0,0,0|2,0,0]=4 12148 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [2,0,0,0,0,0|2,0,0]=4 12149 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [2,0,0,0,0,0|2,0,0]=4 12150 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 12151 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 12152 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,0]=3 12153 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 12154 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|2,0,0]=4 12155 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|2,0,0]=4 12156 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [2,0,0,0,0,0|2,0,0]=4 12157 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [2,0,0,0,0,0|2,0,0]=4 12158 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [2,0,0,0,0,0|2,0,0]=4 12159 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 12160 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 12161 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 12162 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 12163 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 12164 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [2,0,0,0,0,0|2,0,0]=4 12165 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 12166 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 12167 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 12168 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 12169 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 12170 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 12171 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,0]=3 12172 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 12173 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 12174 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|2,0,0]=4 12175 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 12176 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|2,0,0]=4 12177 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 12178 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 12179 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 12180 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 12181 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 12182 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 12183 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 12184 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 12185 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 12186 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 12187 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 12188 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 12189 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 12190 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 12191 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 12192 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 12193 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 12194 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 12195 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 12196 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 12197 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 12198 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 12199 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 12200 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 12201 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 12202 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 12203 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 12204 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 12205 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,0]=3 12206 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [2,0,0,0,0,0|2,0,0]=4 12207 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 12208 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 12209 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [2,0,0,0,0,0|2,0,0]=4 12210 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [2,0,0,0,0,0|2,0,0]=4 12211 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [2,0,0,0,0,0|2,0,0]=4 12212 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [2,0,0,0,0,0|2,0,0]=4 12213 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [2,0,0,0,0,0|2,0,0]=4 12214 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 12215 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 12216 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 12217 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [2,0,0,0,0,0|2,0,0]=4 12218 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 12219 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [2,0,0,0,0,0|2,0,0]=4 12220 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 12221 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 12222 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 12223 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [2,0,0,0,0,0|2,0,0]=4 12224 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 12225 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [2,0,0,0,0,0|2,0,0]=4 12226 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 12227 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 12228 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [2,0,0,0,0,0|2,0,0]=4 12229 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 12230 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [2,0,0,0,0,0|2,0,0]=4 12231 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 12232 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 12233 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [2,0,0,0,0,0|2,0,0]=4 12234 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 12235 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [2,0,0,0,0,0|2,0,0]=4 12236 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 12237 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 12238 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [2,0,0,0,0,0|2,0,0]=4 12239 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [2,0,0,0,0,0|2,0,0]=4 12240 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [2,0,0,0,0,0|2,0,0]=4 12241 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [2,0,0,0,0,0|2,0,0]=4 12242 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [2,0,0,0,0,0|2,0,0]=4 12243 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|2,0,0]=4 12244 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [2,0,0,0,0,0|2,0,0]=4 12245 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [2,0,0,0,0,0|2,0,0]=4 12246 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 12247 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 12248 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 12249 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 12250 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 12251 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 12252 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 12253 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [2,0,0,0,0,0|2,0,0]=4 12254 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 12255 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 12256 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 12257 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 12258 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 12259 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 12260 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 12261 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 12262 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 12263 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 12264 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 12265 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 12266 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,0]=3 12267 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [1,1,0,0,0,0|2,0,0]=4 12268 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [1,1,0,0,0,0|2,0,0]=4 12269 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [1,1,0,0,0,0|2,0,0]=4 12270 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [1,1,0,0,0,0|2,0,0]=4 12271 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [1,1,0,0,0,0|2,0,0]=4 12272 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [1,1,0,0,0,0|2,0,0]=4 12273 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [1,1,0,0,0,0|2,0,0]=4 12274 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [1,1,0,0,0,0|2,0,0]=4 12275 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [1,1,0,0,0,0|2,0,0]=4 12276 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [1,1,0,0,0,0|2,0,0]=4 12277 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [1,1,0,0,0,0|2,0,0]=4 12278 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [1,1,0,0,0,0|2,0,0]=4 12279 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [1,1,0,0,0,0|2,0,0]=4 12280 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [1,1,0,0,0,0|2,0,0]=4 12281 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [1,1,0,0,0,0|2,0,0]=4 12282 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,1]=4 12283 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|0,0,1]=3 12284 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|0,0,1]=3 12285 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|1,0,1]=4 12286 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,1]=4 12287 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|1,0,1]=4 12288 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|1,0,1]=4 12289 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|1,0,1]=4 12290 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|1,0,1]=4 12291 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,1,0,0,0,0|1,0,1]=4 12292 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,1,0,0,0,0|1,0,1]=4 12293 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 12294 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 12295 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 12296 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 12297 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 12298 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 12299 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|1,0,0]=3 12300 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|1,0,0]=3 12301 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [1,1,0,0,0,0|2,0,0]=4 12302 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 12303 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [1,1,0,0,0,0|2,0,0]=4 12304 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 12305 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [1,1,0,0,0,0|1,0,0]=3 12306 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [1,1,0,0,0,0|2,0,0]=4 12307 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [1,1,0,0,0,0|2,0,0]=4 12308 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [1,1,0,0,0,0|2,0,0]=4 12309 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [1,1,0,0,0,0|2,0,0]=4 12310 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [1,1,0,0,0,0|2,0,0]=4 12311 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [1,1,0,0,0,0|2,0,0]=4 12312 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 12313 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [1,1,0,0,0,0|2,0,0]=4 12314 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 12315 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [1,1,0,0,0,0|2,0,0]=4 12316 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [1,1,0,0,0,0|1,0,0]=3 12317 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [1,1,0,0,0,0|1,0,0]=3 12318 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [1,1,0,0,0,0|2,0,0]=4 12319 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [1,1,0,0,0,0|2,0,0]=4 12320 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [1,1,0,0,0,0|2,0,0]=4 12321 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [1,1,0,0,0,0|2,0,0]=4 12322 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [1,1,0,0,0,0|2,0,0]=4 12323 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [1,1,0,0,0,0|2,0,0]=4 12324 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [1,1,0,0,0,0|2,0,0]=4 12325 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [1,1,0,0,0,0|2,0,0]=4 12326 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [1,1,0,0,0,0|2,0,0]=4 12327 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [1,1,0,0,0,0|1,0,0]=3 12328 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [1,1,0,0,0,0|1,0,0]=3 12329 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [1,1,0,0,0,0|2,0,0]=4 12330 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [1,1,0,0,0,0|2,0,0]=4 12331 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [1,1,0,0,0,0|2,0,0]=4 12332 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [1,1,0,0,0,0|2,0,0]=4 12333 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|2,0,0]=4 12334 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|2,0,0]=4 12335 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [1,1,0,0,0,0|2,0,0]=4 12336 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [1,1,0,0,0,0|1,0,0]=3 12337 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [1,1,0,0,0,0|1,0,0]=3 12338 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [1,1,0,0,0,0|1,0,0]=3 12339 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [1,1,0,0,0,0|1,0,0]=3 12340 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [1,1,0,0,0,0|2,0,0]=4 12341 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [1,1,0,0,0,0|2,0,0]=4 12342 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [1,1,0,0,0,0|2,0,0]=4 12343 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [1,1,0,0,0,0|2,0,0]=4 12344 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [1,1,0,0,0,0|2,0,0]=4 12345 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|2,0,0]=4 12346 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 12347 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|2,0,0]=4 12348 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 12349 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [1,1,0,0,0,0|2,0,0]=4 12350 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [1,1,0,0,0,0|2,0,0]=4 12351 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [1,1,0,0,0,0|2,0,0]=4 12352 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [1,1,0,0,0,0|2,0,0]=4 12353 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 12354 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 12355 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 12356 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 12357 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 12358 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 12359 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [1,1,0,0,0,0|2,0,0]=4 12360 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 12361 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|1,0,0]=3 12362 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|1,0,0]=3 12363 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [1,1,0,0,0,0|2,0,0]=4 12364 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [1,1,0,0,0,0|2,0,0]=4 12365 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [1,1,0,0,0,0|2,0,0]=4 12366 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [1,1,0,0,0,0|2,0,0]=4 12367 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [1,1,0,0,0,0|2,0,0]=4 12368 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [1,1,0,0,0,0|2,0,0]=4 12369 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 12370 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|2,0,0]=4 12371 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 12372 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|2,0,0]=4 12373 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 12374 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 12375 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 12376 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 12377 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [1,1,0,0,0,0|2,0,0]=4 12378 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [1,1,0,0,0,0|2,0,0]=4 12379 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [1,1,0,0,0,0|1,0,0]=3 12380 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [1,1,0,0,0,0|1,0,0]=3 12381 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [1,1,0,0,0,0|2,0,0]=4 12382 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [1,1,0,0,0,0|2,0,0]=4 12383 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|2,0,0]=4 12384 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|2,0,0]=4 12385 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [1,1,0,0,0,0|2,0,0]=4 12386 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [1,1,0,0,0,0|2,0,0]=4 12387 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,1]=3 12388 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,1]=3 12389 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|1,0,1]=4 12390 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|0,0,1]=3 12391 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|0,0,1]=3 12392 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|1,0,1]=4 12393 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|1,0,1]=4 12394 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 12395 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 12396 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 12397 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|1,0,0]=3 12398 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|1,0,0]=3 12399 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|1,0,0]=3 12400 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|1,0,0]=3 12401 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [1,1,0,0,0,0|2,0,0]=4 12402 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|1,0,0]=3 12403 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|1,0,0]=3 12404 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|1,0,0]=3 12405 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 12406 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 12407 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|1,0,0]=3 12408 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|1,0,0]=3 12409 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [1,1,0,0,0,0|2,0,0]=4 12410 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [1,1,0,0,0,0|2,0,0]=4 12411 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,1,0,0,0,0|1,0,0]=3 12412 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,1,0,0,0,0|1,0,0]=3 12413 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,1,0,0,0,0|1,0,0]=3 12414 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,1,0,0,0,0|1,0,0]=3 12415 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 12416 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 12417 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [1,1,0,0,0,0|1,0,0]=3 12418 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [1,1,0,0,0,0|1,0,0]=3 12419 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [1,1,0,0,0,0|1,0,0]=3 12420 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [1,1,0,0,0,0|1,0,0]=3 12421 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [1,1,0,0,0,0|2,0,0]=4 12422 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [1,1,0,0,0,0|2,0,0]=4 12423 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [1,1,0,0,0,0|2,0,0]=4 12424 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [1,1,0,0,0,0|2,0,0]=4 12425 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 12426 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 12427 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 12428 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 12429 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|1,0,1]=4 12430 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [1,1,0,0,0,0|1,0,0]=3 12431 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [1,1,0,0,0,0|1,0,0]=3 12432 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [1,1,0,0,0,0|1,0,0]=3 12433 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [1,1,0,0,0,0|1,0,0]=3 12434 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [1,1,0,0,0,0|2,0,0]=4 12435 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [1,1,0,0,0,0|2,0,0]=4 12436 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [1,1,0,0,0,0|2,0,0]=4 12437 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [1,1,0,0,0,0|1,0,0]=3 12438 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,0]=3 12439 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [1,1,0,0,0,0|2,0,0]=4 12440 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [1,1,0,0,0,0|2,0,0]=4 12441 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,0]=3 12442 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,0]=3 12443 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,0]=3 12444 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,0]=3 12445 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [1,1,0,0,0,0|1,0,0]=3 12446 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [1,1,0,0,0,0|1,0,0]=3 12447 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [1,1,0,0,0,0|2,0,0]=4 12448 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [1,1,0,0,0,0|2,0,0]=4 12449 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [1,1,0,0,0,0|2,0,0]=4 12450 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [1,1,0,0,0,0|1,0,0]=3 12451 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [1,1,0,0,0,0|1,0,0]=3 12452 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [1,1,0,0,0,0|1,0,0]=3 12453 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [1,1,0,0,0,0|1,0,0]=3 12454 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [1,1,0,0,0,0|2,0,0]=4 12455 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [1,1,0,0,0,0|2,0,0]=4 12456 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,1]=4 12457 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,1]=4 12458 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [1,1,0,0,0,0|1,0,0]=3 12459 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [1,1,0,0,0,0|1,0,0]=3 12460 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [1,1,0,0,0,0|1,0,0]=3 12461 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [1,1,0,0,0,0|2,0,0]=4 12462 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [1,1,0,0,0,0|2,0,0]=4 12463 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [1,1,0,0,0,0|2,0,0]=4 12464 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|1,0,1]=4 12465 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|1,0,1]=4 12466 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|1,0,1]=4 12467 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|1,0,1]=4 12468 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|1,0,1]=4 12469 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,0]=3 12470 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,0]=3 12471 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,0]=3 12472 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,0]=3 12473 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [1,1,0,0,0,0|2,0,0]=4 12474 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 12475 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 12476 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [1,1,0,0,0,0|2,0,0]=4 12477 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [1,1,0,0,0,0|2,0,0]=4 12478 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [1,1,0,0,0,0|2,0,0]=4 12479 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 12480 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 12481 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [1,1,0,0,0,0|2,0,0]=4 12482 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [1,1,0,0,0,0|2,0,0]=4 12483 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,0]=3 12484 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|1,0,1]=4 12485 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|1,0,1]=4 12486 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|1,0,1]=4 12487 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|1,0,1]=4 12488 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [1,1,0,0,0,0|1,0,0]=3 12489 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [1,1,0,0,0,0|1,0,0]=3 12490 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [1,1,0,0,0,0|2,0,0]=4 12491 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [1,1,0,0,0,0|2,0,0]=4 12492 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 12493 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 12494 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [1,1,0,0,0,0|1,0,0]=3 12495 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [1,1,0,0,0,0|1,0,0]=3 12496 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [1,1,0,0,0,0|1,0,0]=3 12497 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [1,1,0,0,0,0|1,0,0]=3 12498 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 12499 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 12500 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 12501 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 12502 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [1,1,0,0,0,0|2,0,0]=4 12503 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [1,1,0,0,0,0|2,0,0]=4 12504 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [1,1,0,0,0,0|2,0,0]=4 12505 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [1,1,0,0,0,0|2,0,0]=4 12506 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,1]=4 12507 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|1,0,1]=4 12508 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,0]=3 12509 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,0]=3 12510 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 12511 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 12512 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [1,1,0,0,0,0|2,0,0]=4 12513 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [1,1,0,0,0,0|2,0,0]=4 12514 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,0]=3 12515 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [1,1,0,0,0,0|2,0,0]=4 12516 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|1,0,0]=3 12517 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [1,1,0,0,0,0|2,0,0]=4 12518 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [1,1,0,0,0,0|2,0,0]=4 12519 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [1,1,0,0,0,0|1,0,0]=3 12520 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [1,1,0,0,0,0|2,0,0]=4 12521 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [1,1,0,0,0,0|2,0,0]=4 12522 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|1,0,1]=4 12523 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|1,0,1]=4 12524 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [1,1,0,0,0,0|2,0,0]=4 12525 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [1,1,0,0,0,0|2,0,0]=4 12526 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [1,1,0,0,0,0|2,0,0]=4 12527 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [1,1,0,0,0,0|2,0,0]=4 12528 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [1,1,0,0,0,0|2,0,0]=4 12529 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [1,1,0,0,0,0|2,0,0]=4 12530 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [1,1,0,0,0,0|2,0,0]=4 12531 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [1,1,0,0,0,0|2,0,0]=4 12532 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [1,1,0,0,0,0|2,0,0]=4 12533 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [1,1,0,0,0,0|2,0,0]=4 12534 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [1,1,0,0,0,0|2,0,0]=4 12535 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [1,1,0,0,0,0|2,0,0]=4 12536 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [1,1,0,0,0,0|2,0,0]=4 12537 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [1,1,0,0,0,0|2,0,0]=4 12538 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [1,1,0,0,0,0|2,0,0]=4 12539 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [1,1,0,0,0,0|2,0,0]=4 12540 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [1,1,0,0,0,0|2,0,0]=4 12541 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 12542 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 12543 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [1,1,0,0,0,0|2,0,0]=4 12544 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [1,1,0,0,0,0|2,0,0]=4 12545 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [1,1,0,0,0,0|2,0,0]=4 12546 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [1,1,0,0,0,0|2,0,0]=4 12547 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [1,1,0,0,0,0|2,0,0]=4 12548 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [1,1,0,0,0,0|2,0,0]=4 12549 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [1,1,0,0,0,0|2,0,0]=4 12550 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|1,0,1]=4 12551 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [1,1,0,0,0,0|2,0,0]=4 12552 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [1,1,0,0,0,0|2,0,0]=4 12553 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [1,1,0,0,0,0|2,0,0]=4 12554 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [1,1,0,0,0,0|2,0,0]=4 12555 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [1,1,0,0,0,0|2,0,0]=4 12556 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [1,1,0,0,0,0|2,0,0]=4 12557 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [1,1,0,0,0,0|2,0,0]=4 12558 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [1,1,0,0,0,0|2,0,0]=4 12559 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [1,1,0,0,0,0|2,0,0]=4 12560 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [1,1,0,0,0,0|2,0,0]=4 12561 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|1,0,1]=4 12562 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [1,1,0,0,0,0|2,0,0]=4 12563 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [1,1,0,0,0,0|2,0,0]=4 12564 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [1,1,0,0,0,0|2,0,0]=4 12565 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [1,1,0,0,0,0|2,0,0]=4 12566 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [1,1,0,0,0,0|2,0,0]=4 12567 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [1,1,0,0,0,0|2,0,0]=4 12568 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [1,1,0,0,0,0|2,0,0]=4 12569 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [1,1,0,0,0,0|2,0,0]=4 12570 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [1,1,0,0,0,0|2,0,0]=4 12571 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [1,1,0,0,0,0|2,0,0]=4 12572 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [1,1,0,0,0,0|2,0,0]=4 12573 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [1,1,0,0,0,0|2,0,0]=4 12574 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|1,0,1]=4 12575 B10R0.1 CSCC(C)NCCCCO 270004a_100000750430_100011216314 [1,1,0,0,0,0|2,0,0]=4 12576 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [1,1,0,0,0,0|2,0,0]=4 12577 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [1,1,0,0,0,0|2,0,0]=4 12578 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [1,1,0,0,0,0|2,0,0]=4 12579 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [1,1,0,0,0,0|2,0,0]=4 12580 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [1,1,0,0,0,0|2,0,0]=4 12581 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [1,1,0,0,0,0|2,0,0]=4 12582 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|2,0,0]=4 12583 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [1,1,0,0,0,0|2,0,0]=4 12584 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|2,0,0]=4 12585 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|1,0,1]=4 12586 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|1,0,1]=4 12587 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|1,0,1]=4 12588 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|1,0,1]=4 12589 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|1,0,1]=4 12590 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,1,0,0,0,0|1,0,1]=4 12591 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,1,0,0,0,0|1,0,1]=4 12592 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 12593 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|1,0,1]=4 12594 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 12595 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,1,0,0,0,0|1,0,1]=4 12596 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|1,0,1]=4 12597 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|1,0,1]=4 12598 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,1,0,0,0,0|1,0,1]=4 12599 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,1,0,0,0,0|1,0,1]=4 12600 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,1]=4 12601 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,1,0,0,0,0|1,0,1]=4 12602 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,1,0,0,0,0|1,0,1]=4 12603 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,1]=4 12604 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 12605 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 12606 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|1,0,1]=4 12607 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,0,1]=4 12608 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,0,1]=4 12609 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,1,0,0,0,0|1,0,1]=4 12610 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,1,0,0,0,0|1,0,1]=4 12611 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|0,0,1]=3 12612 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|0,0,1]=3 12613 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|1,0,1]=4 12614 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|1,0,1]=4 12615 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|1,0,1]=4 12616 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|1,0,1]=4 12617 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|1,0,1]=4 12618 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,1]=4 12619 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,1]=4 12620 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|1,0,1]=4 12621 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|1,0,1]=4 12622 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,1]=4 12623 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,1]=4 12624 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,1]=4 12625 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,1]=4 12626 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,1]=4 12627 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|2,0,0]=4 12628 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|1,0,0]=3 12629 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [1,1,0,0,0,0|2,0,0]=4 12630 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [1,1,0,0,0,0|1,0,0]=3 12631 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [1,1,0,0,0,0|2,0,0]=4 12632 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,0]=3 12633 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,0]=3 12634 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [1,1,0,0,0,0|2,0,0]=4 12635 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [1,1,0,0,0,0|2,0,0]=4 12636 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [1,1,0,0,0,0|2,0,0]=4 12637 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [1,1,0,0,0,0|2,0,0]=4 12638 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [1,1,0,0,0,0|2,0,0]=4 12639 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [1,1,0,0,0,0|2,0,0]=4 12640 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [1,1,0,0,0,0|1,0,0]=3 12641 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [1,1,0,0,0,0|1,0,0]=3 12642 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [1,1,0,0,0,0|2,0,0]=4 12643 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [1,1,0,0,0,0|2,0,0]=4 12644 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [1,1,0,0,0,0|2,0,0]=4 12645 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [1,1,0,0,0,0|2,0,0]=4 12646 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [1,1,0,0,0,0|1,0,0]=3 12647 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [1,1,0,0,0,0|1,0,0]=3 12648 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [1,1,0,0,0,0|2,0,0]=4 12649 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [1,1,0,0,0,0|2,0,0]=4 12650 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [1,1,0,0,0,0|1,0,0]=3 12651 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [1,1,0,0,0,0|1,0,0]=3 12652 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 12653 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 12654 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 12655 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 12656 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [1,1,0,0,0,0|1,0,0]=3 12657 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [1,1,0,0,0,0|1,0,0]=3 12658 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|2,0,0]=4 12659 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|2,0,0]=4 12660 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|2,0,0]=4 12661 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|2,0,0]=4 12662 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|2,0,0]=4 12663 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|2,0,0]=4 12664 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|1,0,0]=3 12665 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|1,0,0]=3 12666 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [1,1,0,0,0,0|2,0,0]=4 12667 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [1,1,0,0,0,0|2,0,0]=4 12668 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [1,1,0,0,0,0|1,0,0]=3 12669 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [1,1,0,0,0,0|1,0,0]=3 12670 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|1,0,0]=3 12671 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|1,0,0]=3 12672 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|1,0,0]=3 12673 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|2,0,0]=4 12674 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|2,0,0]=4 12675 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|2,0,0]=4 12676 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|2,0,0]=4 12677 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|2,0,0]=4 12678 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|2,0,0]=4 12679 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|2,0,0]=4 12680 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|2,0,0]=4 12681 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|2,0,0]=4 12682 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|1,0,0]=3 12683 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|1,0,0]=3 12684 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [1,1,0,0,0,0|2,0,0]=4 12685 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [1,1,0,0,0,0|2,0,0]=4 12686 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|1,0,0]=3 12687 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|1,0,0]=3 12688 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 12689 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 12690 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [1,1,0,0,0,0|1,0,0]=3 12691 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [1,1,0,0,0,0|1,0,0]=3 12692 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [1,1,0,0,0,0|1,0,0]=3 12693 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [1,1,0,0,0,0|1,0,0]=3 12694 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [1,1,0,0,0,0|1,0,0]=3 12695 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [1,1,0,0,0,0|2,0,0]=4 12696 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [1,1,0,0,0,0|2,0,0]=4 12697 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [1,1,0,0,0,0|2,0,0]=4 12698 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [1,1,0,0,0,0|2,0,0]=4 12699 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [1,1,0,0,0,0|2,0,0]=4 12700 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [1,1,0,0,0,0|2,0,0]=4 12701 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [1,1,0,0,0,0|2,0,0]=4 12702 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [1,1,0,0,0,0|2,0,0]=4 12703 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [1,1,0,0,0,0|2,0,0]=4 12704 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [1,1,0,0,0,0|2,0,0]=4 12705 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [1,1,0,0,0,0|2,0,0]=4 12706 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [1,1,0,0,0,0|2,0,0]=4 12707 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [1,1,0,0,0,0|2,0,0]=4 12708 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [1,1,0,0,0,0|2,0,0]=4 12709 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [1,1,0,0,0,0|2,0,0]=4 12710 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [1,1,0,0,0,0|2,0,0]=4 12711 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|1,0,0]=3 12712 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [1,1,0,0,0,0|2,0,0]=4 12713 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [1,1,0,0,0,0|2,0,0]=4 12714 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [1,1,0,0,0,0|2,0,0]=4 12715 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [1,1,0,0,0,0|2,0,0]=4 12716 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [1,1,0,0,0,0|2,0,0]=4 12717 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [1,1,0,0,0,0|1,0,0]=3 12718 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [1,1,0,0,0,0|1,0,0]=3 12719 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [1,1,0,0,0,0|2,0,0]=4 12720 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [1,1,0,0,0,0|2,0,0]=4 12721 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [1,1,0,0,0,0|2,0,0]=4 12722 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [1,1,0,0,0,0|2,0,0]=4 12723 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [1,1,0,0,0,0|2,0,0]=4 12724 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [1,1,0,0,0,0|2,0,0]=4 12725 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [1,1,0,0,0,0|1,0,0]=3 12726 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [1,1,0,0,0,0|1,0,0]=3 12727 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [1,1,0,0,0,0|1,0,0]=3 12728 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [1,1,0,0,0,0|1,0,0]=3 12729 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [1,1,0,0,0,0|2,0,0]=4 12730 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [1,1,0,0,0,0|2,0,0]=4 12731 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [1,1,0,0,0,0|2,0,0]=4 12732 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,1,0,0,0,0|2,0,0]=4 12733 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,1,0,0,0,0|2,0,0]=4 12734 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 12735 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 12736 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,1,0,0,0,0|2,0,0]=4 12737 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,1,0,0,0,0|2,0,0]=4 12738 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,1,0,0,0,0|2,0,0]=4 12739 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,1,0,0,0,0|2,0,0]=4 12740 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|1,0,0]=3 12741 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [1,1,0,0,0,0|2,0,0]=4 12742 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [1,1,0,0,0,0|2,0,0]=4 12743 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [1,1,0,0,0,0|2,0,0]=4 12744 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [1,1,0,0,0,0|2,0,0]=4 12745 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [1,1,0,0,0,0|2,0,0]=4 12746 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [1,1,0,0,0,0|2,0,0]=4 12747 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [1,1,0,0,0,0|2,0,0]=4 12748 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [1,1,0,0,0,0|2,0,0]=4 12749 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [1,1,0,0,0,0|2,0,0]=4 12750 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [1,1,0,0,0,0|2,0,0]=4 12751 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [1,1,0,0,0,0|2,0,0]=4 12752 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [1,1,0,0,0,0|2,0,0]=4 12753 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [1,1,0,0,0,0|2,0,0]=4 12754 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [1,1,0,0,0,0|2,0,0]=4 12755 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [1,1,0,0,0,0|1,0,0]=3 12756 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [1,1,0,0,0,0|1,0,0]=3 12757 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [1,1,0,0,0,0|2,0,0]=4 12758 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [1,1,0,0,0,0|2,0,0]=4 12759 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [1,1,0,0,0,0|2,0,0]=4 12760 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [1,1,0,0,0,0|2,0,0]=4 12761 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [1,1,0,0,0,0|2,0,0]=4 12762 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [1,1,0,0,0,0|2,0,0]=4 12763 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [1,1,0,0,0,0|2,0,0]=4 12764 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [1,1,0,0,0,0|1,0,0]=3 12765 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [1,1,0,0,0,0|2,0,0]=4 12766 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [1,1,0,0,0,0|2,0,0]=4 12767 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [1,1,0,0,0,0|2,0,0]=4 12768 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [1,1,0,0,0,0|2,0,0]=4 12769 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [1,1,0,0,0,0|2,0,0]=4 12770 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [1,1,0,0,0,0|2,0,0]=4 12771 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [1,1,0,0,0,0|2,0,0]=4 12772 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [1,1,0,0,0,0|2,0,0]=4 12773 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [1,1,0,0,0,0|2,0,0]=4 12774 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [1,1,0,0,0,0|1,0,0]=3 12775 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [1,1,0,0,0,0|1,0,0]=3 12776 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [1,1,0,0,0,0|2,0,0]=4 12777 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 12778 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [1,1,0,0,0,0|1,0,0]=3 12779 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 12780 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|2,0,0]=4 12781 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|2,0,0]=4 12782 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|2,0,0]=4 12783 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|2,0,0]=4 12784 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|2,0,0]=4 12785 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|2,0,0]=4 12786 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|2,0,0]=4 12787 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [1,1,0,0,0,0|2,0,0]=4 12788 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [1,1,0,0,0,0|2,0,0]=4 12789 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [1,1,0,0,0,0|1,0,0]=3 12790 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [1,1,0,0,0,0|1,0,0]=3 12791 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 12792 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 12793 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 12794 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 12795 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 12796 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 12797 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [1,1,0,0,0,0|2,0,0]=4 12798 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 12799 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [1,1,0,0,0,0|2,0,0]=4 12800 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 12801 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [1,1,0,0,0,0|2,0,0]=4 12802 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [1,1,0,0,0,0|2,0,0]=4 12803 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [1,1,0,0,0,0|2,0,0]=4 12804 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [1,1,0,0,0,0|2,0,0]=4 12805 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [1,1,0,0,0,0|2,0,0]=4 12806 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [1,1,0,0,0,0|2,0,0]=4 12807 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [1,1,0,0,0,0|2,0,0]=4 12808 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [1,1,0,0,0,0|2,0,0]=4 12809 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [1,1,0,0,0,0|2,0,0]=4 12810 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [1,1,0,0,0,0|2,0,0]=4 12811 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [1,1,0,0,0,0|1,0,0]=3 12812 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [1,1,0,0,0,0|1,0,0]=3 12813 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [1,1,0,0,0,0|2,0,0]=4 12814 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [1,1,0,0,0,0|2,0,0]=4 12815 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,1]=3 12816 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,1]=3 12817 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,1]=3 12818 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,1,0,0,0,0|1,0,0]=3 12819 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,1,0,0,0,0|1,0,0]=3 12820 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,1,0,0,0,0|1,0,0]=3 12821 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,1,0,0,0,0|1,0,0]=3 12822 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,1,0,0,0,0|1,0,0]=3 12823 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,1,0,0,0,0|1,0,0]=3 12824 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 12825 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 12826 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 12827 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|1,0,1]=4 12828 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,0]=3 12829 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,0]=3 12830 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,0]=3 12831 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,0]=3 12832 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,0]=3 12833 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,0]=3 12834 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,0]=3 12835 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,0]=3 12836 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,1]=4 12837 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,0]=3 12838 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,0]=3 12839 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,0]=3 12840 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,0]=3 12841 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|1,0,0]=3 12842 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|1,0,0]=3 12843 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,0]=3 12844 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [1,1,0,0,0,0|2,0,0]=4 12845 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [1,1,0,0,0,0|2,0,0]=4 12846 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|1,0,0]=3 12847 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|1,0,1]=4 12848 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,0]=3 12849 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,0]=3 12850 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,0]=3 12851 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,0]=3 12852 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,0]=3 12853 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|1,0,0]=3 12854 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|1,0,0]=3 12855 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 12856 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [1,1,0,0,0,0|2,0,0]=4 12857 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 12858 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,0]=3 12859 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,0]=3 12860 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|1,0,0]=3 12861 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|1,0,0]=3 12862 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,0]=3 12863 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,0]=3 12864 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|1,0,0]=3 12865 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|1,0,0]=3 12866 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [1,1,0,0,0,0|2,0,0]=4 12867 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [1,1,0,0,0,0|2,0,0]=4 12868 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|1,0,0]=3 12869 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|1,0,0]=3 12870 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,0]=3 12871 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,0]=3 12872 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|1,0,0]=3 12873 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|1,0,0]=3 12874 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,1,0,0,0,0|2,0,0]=4 12875 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|1,0,1]=4 12876 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|1,0,1]=4 12877 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|1,0,1]=4 12878 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,0]=3 12879 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,0]=3 12880 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,0]=3 12881 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,0]=3 12882 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,0]=3 12883 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|1,0,0]=3 12884 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|1,0,0]=3 12885 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [1,1,0,0,0,0|2,0,0]=4 12886 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|2,0,0]=4 12887 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,0]=3 12888 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|2,0,0]=4 12889 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|1,0,1]=4 12890 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|1,0,1]=4 12891 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,0]=3 12892 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,0]=3 12893 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|1,0,0]=3 12894 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|1,0,0]=3 12895 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,1,0,0,0,0|2,0,0]=4 12896 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,1,0,0,0,0|2,0,0]=4 12897 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,1,0,0,0,0|2,0,0]=4 12898 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|1,0,1]=4 12899 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,0]=3 12900 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,0]=3 12901 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,0]=3 12902 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,0]=3 12903 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|1,0,0]=3 12904 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|1,0,0]=3 12905 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,1,0,0,0,0|2,0,0]=4 12906 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|2,0,0]=4 12907 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|2,0,0]=4 12908 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|2,0,0]=4 12909 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|2,0,0]=4 12910 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|2,0,0]=4 12911 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [1,1,0,0,0,0|2,0,0]=4 12912 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [1,1,0,0,0,0|2,0,0]=4 12913 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [1,1,0,0,0,0|2,0,0]=4 12914 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [1,1,0,0,0,0|2,0,0]=4 12915 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|1,0,1]=4 12916 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|1,0,1]=4 12917 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|1,0,1]=4 12918 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|1,0,1]=4 12919 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,0]=3 12920 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,0]=3 12921 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,0]=3 12922 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,0]=3 12923 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|1,0,0]=3 12924 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|1,0,0]=3 12925 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|2,0,0]=4 12926 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [1,1,0,0,0,0|2,0,0]=4 12927 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [1,1,0,0,0,0|2,0,0]=4 12928 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [1,1,0,0,0,0|2,0,0]=4 12929 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|2,0,0]=4 12930 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|2,0,0]=4 12931 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|2,0,0]=4 12932 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|2,0,0]=4 12933 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|2,0,0]=4 12934 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|2,0,0]=4 12935 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|2,0,0]=4 12936 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [1,1,0,0,0,0|2,0,0]=4 12937 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [1,1,0,0,0,0|2,0,0]=4 12938 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [1,1,0,0,0,0|2,0,0]=4 12939 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [1,1,0,0,0,0|2,0,0]=4 12940 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [1,1,0,0,0,0|2,0,0]=4 12941 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [1,1,0,0,0,0|2,0,0]=4 12942 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [1,1,0,0,0,0|2,0,0]=4 12943 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [1,1,0,0,0,0|2,0,0]=4 12944 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [1,1,0,0,0,0|2,0,0]=4 12945 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [1,1,0,0,0,0|2,0,0]=4 12946 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [1,1,0,0,0,0|2,0,0]=4 12947 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|2,0,0]=4 12948 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [1,1,0,0,0,0|2,0,0]=4 12949 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [1,1,0,0,0,0|2,0,0]=4 12950 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [1,1,0,0,0,0|2,0,0]=4 12951 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [1,1,0,0,0,0|2,0,0]=4 12952 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [1,1,0,0,0,0|2,0,0]=4 12953 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [1,1,0,0,0,0|2,0,0]=4 12954 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [1,1,0,0,0,0|2,0,0]=4 12955 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [1,1,0,0,0,0|2,0,0]=4 12956 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [1,1,0,0,0,0|2,0,0]=4 12957 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|1,0,1]=4 12958 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|1,0,1]=4 12959 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,0]=3 12960 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,0]=3 12961 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|1,0,0]=3 12962 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|1,0,0]=3 12963 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,1,0,0,0,0|2,0,0]=4 12964 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [1,1,0,0,0,0|2,0,0]=4 12965 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|2,0,0]=4 12966 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|2,0,0]=4 12967 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|2,0,0]=4 12968 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|2,0,0]=4 12969 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [1,1,0,0,0,0|2,0,0]=4 12970 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [1,1,0,0,0,0|2,0,0]=4 12971 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 12972 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 12973 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,1,0,0,0,0|2,0,0]=4 12974 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|1,0,1]=4 12975 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,0]=3 12976 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,0]=3 12977 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,0]=3 12978 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 12979 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [1,1,0,0,0,0|2,0,0]=4 12980 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 12981 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 12982 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [1,1,0,0,0,0|2,0,0]=4 12983 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [1,1,0,0,0,0|2,0,0]=4 12984 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 12985 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [1,1,0,0,0,0|2,0,0]=4 12986 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [1,1,0,0,0,0|2,0,0]=4 12987 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [1,1,0,0,0,0|2,0,0]=4 12988 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [1,1,0,0,0,0|2,0,0]=4 12989 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [1,1,0,0,0,0|2,0,0]=4 12990 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [1,1,0,0,0,0|2,0,0]=4 12991 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [1,1,0,0,0,0|2,0,0]=4 12992 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [1,1,0,0,0,0|2,0,0]=4 12993 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [1,1,0,0,0,0|2,0,0]=4 12994 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [1,1,0,0,0,0|2,0,0]=4 12995 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 12996 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [1,1,0,0,0,0|2,0,0]=4 12997 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 12998 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [1,1,0,0,0,0|2,0,0]=4 12999 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [1,1,0,0,0,0|2,0,0]=4 13000 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [1,1,0,0,0,0|2,0,0]=4 13001 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [1,1,0,0,0,0|2,0,0]=4 13002 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [1,1,0,0,0,0|2,0,0]=4 13003 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [1,1,0,0,0,0|2,0,0]=4 13004 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [1,1,0,0,0,0|2,0,0]=4 13005 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [1,1,0,0,0,0|2,0,0]=4 13006 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 13007 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [1,1,0,0,0,0|2,0,0]=4 13008 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [1,1,0,0,0,0|2,0,0]=4 13009 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 13010 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [1,1,0,0,0,0|2,0,0]=4 13011 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [1,1,0,0,0,0|2,0,0]=4 13012 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [1,1,0,0,0,0|2,0,0]=4 13013 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [1,1,0,0,0,0|2,0,0]=4 13014 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,1,0,0,0,0|2,0,0]=4 13015 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,1,0,0,0,0|2,0,0]=4 13016 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|1,0,1]=4 13017 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|1,0,1]=4 13018 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,0]=3 13019 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,0]=3 13020 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,1,0,0,0,0|2,0,0]=4 13021 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [1,1,0,0,0,0|2,0,0]=4 13022 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [1,1,0,0,0,0|2,0,0]=4 13023 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [1,1,0,0,0,0|2,0,0]=4 13024 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [1,1,0,0,0,0|2,0,0]=4 13025 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [1,1,0,0,0,0|2,0,0]=4 13026 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [1,1,0,0,0,0|2,0,0]=4 13027 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [1,1,0,0,0,0|2,0,0]=4 13028 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [1,1,0,0,0,0|2,0,0]=4 13029 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [1,1,0,0,0,0|2,0,0]=4 13030 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [1,1,0,0,0,0|2,0,0]=4 13031 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,1,0,0,0,0|2,0,0]=4 13032 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,0]=3 13033 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,0]=3 13034 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,0]=3 13035 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 13036 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 13037 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,1,0,0,0,0|2,0,0]=4 13038 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,0]=3 13039 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,0]=3 13040 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,0]=3 13041 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [1,1,0,0,0,0|2,0,0]=4 13042 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 13043 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [1,1,0,0,0,0|2,0,0]=4 13044 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [1,1,0,0,0,0|2,0,0]=4 13045 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 13046 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [1,1,0,0,0,0|2,0,0]=4 13047 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [1,1,0,0,0,0|2,0,0]=4 13048 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [1,1,0,0,0,0|2,0,0]=4 13049 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [1,1,0,0,0,0|2,0,0]=4 13050 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [1,1,0,0,0,0|2,0,0]=4 13051 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [1,1,0,0,0,0|2,0,0]=4 13052 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [1,1,0,0,0,0|2,0,0]=4 13053 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [1,1,0,0,0,0|2,0,0]=4 13054 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [1,1,0,0,0,0|2,0,0]=4 13055 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [1,1,0,0,0,0|2,0,0]=4 13056 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [1,1,0,0,0,0|2,0,0]=4 13057 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [1,1,0,0,0,0|2,0,0]=4 13058 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [1,1,0,0,0,0|2,0,0]=4 13059 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [1,1,0,0,0,0|2,0,0]=4 13060 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [1,1,0,0,0,0|2,0,0]=4 13061 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [1,1,0,0,0,0|2,0,0]=4 13062 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [1,1,0,0,0,0|2,0,0]=4 13063 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [1,1,0,0,0,0|2,0,0]=4 13064 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [1,1,0,0,0,0|2,0,0]=4 13065 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [1,1,0,0,0,0|2,0,0]=4 13066 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [1,1,0,0,0,0|2,0,0]=4 13067 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [1,1,0,0,0,0|2,0,0]=4 13068 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [1,1,0,0,0,0|2,0,0]=4 13069 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [1,1,0,0,0,0|2,0,0]=4 13070 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [1,1,0,0,0,0|2,0,0]=4 13071 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [1,1,0,0,0,0|2,0,0]=4 13072 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [1,1,0,0,0,0|2,0,0]=4 13073 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [1,1,0,0,0,0|2,0,0]=4 13074 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [1,1,0,0,0,0|2,0,0]=4 13075 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [1,1,0,0,0,0|2,0,0]=4 13076 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [1,1,0,0,0,0|2,0,0]=4 13077 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|2,0,0]=4 13078 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|2,0,0]=4 13079 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|2,0,0]=4 13080 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|2,0,0]=4 13081 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|2,0,0]=4 13082 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|2,0,0]=4 13083 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [1,1,0,0,0,0|2,0,0]=4 13084 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [1,1,0,0,0,0|2,0,0]=4 13085 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [1,1,0,0,0,0|2,0,0]=4 13086 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [1,1,0,0,0,0|2,0,0]=4 13087 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [1,1,0,0,0,0|2,0,0]=4 13088 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [1,1,0,0,0,0|2,0,0]=4 13089 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [1,1,0,0,0,0|2,0,0]=4 13090 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [1,1,0,0,0,0|2,0,0]=4 13091 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [1,1,0,0,0,0|2,0,0]=4 13092 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,1,0,0,0,0|2,0,0]=4 13093 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,1,0,0,0,0|2,0,0]=4 13094 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,0]=3 13095 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,0]=3 13096 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [1,1,0,0,0,0|2,0,0]=4 13097 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [1,1,0,0,0,0|2,0,0]=4 13098 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [1,1,0,0,0,0|2,0,0]=4 13099 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [1,1,0,0,0,0|2,0,0]=4 13100 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [1,1,0,0,0,0|2,0,0]=4 13101 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [1,1,0,0,0,0|2,0,0]=4 13102 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [1,1,0,0,0,0|2,0,0]=4 13103 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [1,1,0,0,0,0|2,0,0]=4 13104 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [1,1,0,0,0,0|2,0,0]=4 13105 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [1,1,0,0,0,0|2,0,0]=4 13106 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [1,1,0,0,0,0|2,0,0]=4 13107 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [1,1,0,0,0,0|2,0,0]=4 13108 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [1,1,0,0,0,0|2,0,0]=4 13109 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [1,1,0,0,0,0|2,0,0]=4 13110 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [1,1,0,0,0,0|2,0,0]=4 13111 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [1,1,0,0,0,0|2,0,0]=4 13112 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [1,1,0,0,0,0|2,0,0]=4 13113 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [1,1,0,0,0,0|2,0,0]=4 13114 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [1,1,0,0,0,0|2,0,0]=4 13115 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [1,1,0,0,0,0|2,0,0]=4 13116 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [1,1,0,0,0,0|2,0,0]=4 13117 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [1,1,0,0,0,0|2,0,0]=4 13118 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|1,0,0]=3 13119 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|1,0,0]=3 13120 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [1,1,0,0,0,0|2,0,0]=4 13121 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [1,1,0,0,0,0|2,0,0]=4 13122 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [1,1,0,0,0,0|2,0,0]=4 13123 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,1,0,0,0,0|2,0,0]=4 13124 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,1,0,0,0,0|2,0,0]=4 13125 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,1,0,0,0,0|2,0,0]=4 13126 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,0]=3 13127 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,0]=3 13128 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [1,1,0,0,0,0|2,0,0]=4 13129 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [1,1,0,0,0,0|2,0,0]=4 13130 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|2,0,0]=4 13131 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,1,0,0,0,0|2,0,0]=4 13132 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,1]=4 13133 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 13134 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 13135 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [1,1,0,0,0,0|2,0,0]=4 13136 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [1,1,0,0,0,0|2,0,0]=4 13137 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [1,1,0,0,0,0|2,0,0]=4 13138 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [1,1,0,0,0,0|2,0,0]=4 13139 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [1,1,0,0,0,0|2,0,0]=4 13140 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [1,1,0,0,0,0|2,0,0]=4 13141 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [1,1,0,0,0,0|2,0,0]=4 13142 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [1,1,0,0,0,0|2,0,0]=4 13143 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [1,1,0,0,0,0|2,0,0]=4 13144 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [1,1,0,0,0,0|2,0,0]=4 13145 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [1,1,0,0,0,0|2,0,0]=4 13146 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [1,1,0,0,0,0|2,0,0]=4 13147 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [1,1,0,0,0,0|2,0,0]=4 13148 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [1,1,0,0,0,0|2,0,0]=4 13149 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [1,1,0,0,0,0|2,0,0]=4 13150 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [1,1,0,0,0,0|2,0,0]=4 13151 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [1,1,0,0,0,0|2,0,0]=4 13152 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [1,1,0,0,0,0|2,0,0]=4 13153 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [1,1,0,0,0,0|2,0,0]=4 13154 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [1,1,0,0,0,0|2,0,0]=4 13155 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [1,1,0,0,0,0|2,0,0]=4 13156 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [1,1,0,0,0,0|2,0,0]=4 13157 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [1,1,0,0,0,0|2,0,0]=4 13158 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [1,1,0,0,0,0|2,0,0]=4 13159 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [1,1,0,0,0,0|2,0,0]=4 13160 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [1,1,0,0,0,0|2,0,0]=4 13161 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [1,1,0,0,0,0|2,0,0]=4 13162 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [1,1,0,0,0,0|2,0,0]=4 13163 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [1,1,0,0,0,0|2,0,0]=4 13164 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|2,0,0]=4 13165 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [1,1,0,0,0,0|2,0,0]=4 13166 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [1,1,0,0,0,0|2,0,0]=4 13167 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [1,1,0,0,0,0|2,0,0]=4 13168 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [1,1,0,0,0,0|2,0,0]=4 13169 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [1,1,0,0,0,0|2,0,0]=4 13170 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [1,1,0,0,0,0|2,0,0]=4 13171 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [1,1,0,0,0,0|2,0,0]=4 13172 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [1,1,0,0,0,0|2,0,0]=4 13173 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [1,1,0,0,0,0|2,0,0]=4 13174 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [1,1,0,0,0,0|2,0,0]=4 13175 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [1,1,0,0,0,0|2,0,0]=4 13176 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [1,1,0,0,0,0|2,0,0]=4 13177 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [1,1,0,0,0,0|2,0,0]=4 13178 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [1,1,0,0,0,0|2,0,0]=4 13179 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [1,1,0,0,0,0|2,0,0]=4 13180 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [1,1,0,0,0,0|2,0,0]=4 13181 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [1,1,0,0,0,0|2,0,0]=4 13182 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [1,1,0,0,0,0|2,0,0]=4 13183 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [1,1,0,0,0,0|2,0,0]=4 13184 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,1,0,0,0,0|2,0,0]=4 13185 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,1,0,0,0,0|2,0,0]=4 13186 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,1,0,0,0,0|2,0,0]=4 13187 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [1,1,0,0,0,0|2,0,0]=4 13188 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [1,1,0,0,0,0|2,0,0]=4 13189 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [1,1,0,0,0,0|2,0,0]=4 13190 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [1,1,0,0,0,0|2,0,0]=4 13191 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [1,1,0,0,0,0|2,0,0]=4 13192 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [1,1,0,0,0,0|2,0,0]=4 13193 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [1,1,0,0,0,0|2,0,0]=4 13194 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [1,1,0,0,0,0|2,0,0]=4 13195 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [1,1,0,0,0,0|2,0,0]=4 13196 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [1,1,0,0,0,0|2,0,0]=4 13197 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [1,1,0,0,0,0|2,0,0]=4 13198 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [1,1,0,0,0,0|2,0,0]=4 13199 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [1,1,0,0,0,0|2,0,0]=4 13200 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [1,1,0,0,0,0|2,0,0]=4 13201 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [1,1,0,0,0,0|2,0,0]=4 13202 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [1,1,0,0,0,0|2,0,0]=4 13203 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [1,1,0,0,0,0|2,0,0]=4 13204 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [1,1,0,0,0,0|2,0,0]=4 13205 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [1,1,0,0,0,0|2,0,0]=4 13206 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [1,1,0,0,0,0|2,0,0]=4 13207 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [1,1,0,0,0,0|2,0,0]=4 13208 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [1,1,0,0,0,0|2,0,0]=4 13209 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [1,1,0,0,0,0|2,0,0]=4 13210 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [1,1,0,0,0,0|2,0,0]=4 13211 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [1,1,0,0,0,0|2,0,0]=4 13212 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [1,1,0,0,0,0|2,0,0]=4 13213 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [1,1,0,0,0,0|2,0,0]=4 13214 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [1,1,0,0,0,0|2,0,0]=4 13215 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [1,1,0,0,0,0|2,0,0]=4 13216 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [1,1,0,0,0,0|2,0,0]=4 13217 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [1,1,0,0,0,0|2,0,0]=4 13218 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [1,1,0,0,0,0|1,0,0]=3 13219 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [1,1,0,0,0,0|2,0,0]=4 13220 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|2,0,0]=4 13221 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,0]=3 13222 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [1,1,0,0,0,0|2,0,0]=4 13223 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [1,1,0,0,0,0|1,0,0]=3 13224 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [1,1,0,0,0,0|2,0,0]=4 13225 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 13226 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 13227 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 13228 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 13229 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [1,1,0,0,0,0|2,0,0]=4 13230 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [1,1,0,0,0,0|2,0,0]=4 13231 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [1,1,0,0,0,0|2,0,0]=4 13232 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [1,1,0,0,0,0|2,0,0]=4 13233 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [1,1,0,0,0,0|2,0,0]=4 13234 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [1,1,0,0,0,0|2,0,0]=4 13235 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [1,1,0,0,0,0|2,0,0]=4 13236 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [1,1,0,0,0,0|2,0,0]=4 13237 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [1,1,0,0,0,0|2,0,0]=4 13238 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [1,1,0,0,0,0|2,0,0]=4 13239 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [1,1,0,0,0,0|1,0,0]=3 13240 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [1,1,0,0,0,0|1,0,0]=3 13241 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [1,1,0,0,0,0|2,0,0]=4 13242 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [1,1,0,0,0,0|2,0,0]=4 13243 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [1,1,0,0,0,0|2,0,0]=4 13244 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [1,1,0,0,0,0|2,0,0]=4 13245 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [1,1,0,0,0,0|2,0,0]=4 13246 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [1,1,0,0,0,0|2,0,0]=4 13247 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [1,1,0,0,0,0|2,0,0]=4 13248 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [1,1,0,0,0,0|2,0,0]=4 13249 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [1,1,0,0,0,0|2,0,0]=4 13250 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|0,0,1]=3 13251 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,1,0,0,0,0|2,0,0]=4 13252 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,1,0,0,0,0|2,0,0]=4 13253 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [1,1,0,0,0,0|2,0,0]=4 13254 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [1,1,0,0,0,0|2,0,0]=4 13255 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [1,1,0,0,0,0|2,0,0]=4 13256 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|2,0,0]=4 13257 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [1,1,0,0,0,0|2,0,0]=4 13258 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [1,1,0,0,0,0|2,0,0]=4 13259 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [1,1,0,0,0,0|2,0,0]=4 13260 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [1,1,0,0,0,0|2,0,0]=4 13261 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [1,1,0,0,0,0|2,0,0]=4 13262 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [1,1,0,0,0,0|2,0,0]=4 13263 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [1,1,0,0,0,0|2,0,0]=4 13264 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [1,1,0,0,0,0|2,0,0]=4 13265 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [1,1,0,0,0,0|2,0,0]=4 13266 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [1,1,0,0,0,0|2,0,0]=4 13267 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [1,1,0,0,0,0|2,0,0]=4 13268 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [1,1,0,0,0,0|2,0,0]=4 13269 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [1,1,0,0,0,0|2,0,0]=4 13270 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [1,1,0,0,0,0|2,0,0]=4 13271 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [1,1,0,0,0,0|2,0,0]=4 13272 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [1,1,0,0,0,0|2,0,0]=4 13273 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [1,1,0,0,0,0|2,0,0]=4 13274 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,1,0,0,0,0|1,0,1]=4 13275 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|0,0,1]=3 13276 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|0,0,1]=3 13277 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,1,0,0,0,0|1,0,1]=4 13278 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [1,1,0,0,0,0|1,0,1]=4 13279 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [1,1,0,0,0,0|1,0,1]=4 13280 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [1,1,0,0,0,0|1,0,1]=4 13281 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,1,0,0,0,0|1,0,1]=4 13282 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [1,1,0,0,0,0|1,0,0]=3 13283 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [1,1,0,0,0,0|1,0,0]=3 13284 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [1,1,0,0,0,0|2,0,0]=4 13285 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [1,1,0,0,0,0|1,0,0]=3 13286 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [1,1,0,0,0,0|2,0,0]=4 13287 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [1,1,0,0,0,0|1,0,0]=3 13288 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [1,1,0,0,0,0|2,0,0]=4 13289 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [1,1,0,0,0,0|2,0,0]=4 13290 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [1,1,0,0,0,0|2,0,0]=4 13291 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [1,1,0,0,0,0|1,0,0]=3 13292 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [1,1,0,0,0,0|2,0,0]=4 13293 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [1,1,0,0,0,0|2,0,0]=4 13294 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [1,1,0,0,0,0|2,0,0]=4 13295 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [1,1,0,0,0,0|1,0,0]=3 13296 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [1,1,0,0,0,0|1,0,0]=3 13297 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [1,1,0,0,0,0|1,0,0]=3 13298 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [1,1,0,0,0,0|1,0,0]=3 13299 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [1,1,0,0,0,0|2,0,0]=4 13300 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [1,1,0,0,0,0|2,0,0]=4 13301 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [1,1,0,0,0,0|2,0,0]=4 13302 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [1,1,0,0,0,0|2,0,0]=4 13303 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [1,1,0,0,0,0|2,0,0]=4 13304 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [1,1,0,0,0,0|2,0,0]=4 13305 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [1,1,0,0,0,0|2,0,0]=4 13306 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [1,1,0,0,0,0|2,0,0]=4 13307 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [1,1,0,0,0,0|2,0,0]=4 13308 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [1,1,0,0,0,0|2,0,0]=4 13309 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [1,1,0,0,0,0|2,0,0]=4 13310 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [1,1,0,0,0,0|2,0,0]=4 13311 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [1,1,0,0,0,0|2,0,0]=4 13312 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [1,1,0,0,0,0|2,0,0]=4 13313 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [1,1,0,0,0,0|2,0,0]=4 13314 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [1,1,0,0,0,0|2,0,0]=4 13315 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [1,1,0,0,0,0|2,0,0]=4 13316 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [1,1,0,0,0,0|2,0,0]=4 13317 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [1,1,0,0,0,0|1,0,0]=3 13318 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [1,1,0,0,0,0|1,0,0]=3 13319 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [1,1,0,0,0,0|2,0,0]=4 13320 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [1,1,0,0,0,0|2,0,0]=4 13321 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [1,1,0,0,0,0|2,0,0]=4 13322 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [1,1,0,0,0,0|1,0,0]=3 13323 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [1,1,0,0,0,0|1,0,0]=3 13324 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [1,1,0,0,0,0|1,0,0]=3 13325 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [1,1,0,0,0,0|2,0,0]=4 13326 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [1,1,0,0,0,0|2,0,0]=4 13327 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [1,1,0,0,0,0|2,0,0]=4 13328 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [1,1,0,0,0,0|2,0,0]=4 13329 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [1,1,0,0,0,0|2,0,0]=4 13330 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [1,1,0,0,0,0|2,0,0]=4 13331 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [1,1,0,0,0,0|2,0,0]=4 13332 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [1,1,0,0,0,0|2,0,0]=4 13333 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [1,1,0,0,0,0|2,0,0]=4 13334 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [1,1,0,0,0,0|2,0,0]=4 13335 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [1,1,0,0,0,0|2,0,0]=4 13336 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [1,1,0,0,0,0|2,0,0]=4 13337 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [1,1,0,0,0,0|2,0,0]=4 13338 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [1,1,0,0,0,0|1,0,0]=3 13339 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [1,1,0,0,0,0|2,0,0]=4 13340 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [1,1,0,0,0,0|2,0,0]=4 13341 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [1,1,0,0,0,0|2,0,0]=4 13342 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [1,1,0,0,0,0|2,0,0]=4 13343 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [1,1,0,0,0,0|2,0,0]=4 13344 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [1,1,0,0,0,0|2,0,0]=4 13345 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [1,1,0,0,0,0|2,0,0]=4 13346 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [1,1,0,0,0,0|1,0,0]=3 13347 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [1,1,0,0,0,0|1,0,0]=3 13348 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [1,1,0,0,0,0|2,0,0]=4 13349 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [1,1,0,0,0,0|2,0,0]=4 13350 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [1,1,0,0,0,0|2,0,0]=4 13351 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [1,1,0,0,0,0|2,0,0]=4 13352 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [1,1,0,0,0,0|2,0,0]=4 13353 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [1,1,0,0,0,0|1,0,0]=3 13354 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [1,1,0,0,0,0|1,0,0]=3 13355 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [1,1,0,0,0,0|1,0,0]=3 13356 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [1,1,0,0,0,0|2,0,0]=4 13357 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [1,1,0,0,0,0|2,0,0]=4 13358 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [1,1,0,0,0,0|2,0,0]=4 13359 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [1,1,0,0,0,0|2,0,0]=4 13360 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [1,1,0,0,0,0|2,0,0]=4 13361 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [1,1,0,0,0,0|2,0,0]=4 13362 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [1,1,0,0,0,0|2,0,0]=4 13363 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [1,1,0,0,0,0|2,0,0]=4 13364 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [1,1,0,0,0,0|2,0,0]=4 13365 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [1,1,0,0,0,0|2,0,0]=4 13366 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [1,1,0,0,0,0|2,0,0]=4 13367 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [1,1,0,0,0,0|2,0,0]=4 13368 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [1,1,0,0,0,0|2,0,0]=4 13369 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [1,1,0,0,0,0|2,0,0]=4 13370 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [1,1,0,0,0,0|2,0,0]=4 13371 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [1,1,0,0,0,0|2,0,0]=4 13372 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [1,1,0,0,0,0|1,0,0]=3 13373 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [1,1,0,0,0,0|1,0,0]=3 13374 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [1,1,0,0,0,0|2,0,0]=4 13375 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [1,1,0,0,0,0|2,0,0]=4 13376 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|0,0,1]=3 13377 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|0,0,1]=3 13378 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|1,0,1]=4 13379 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,1]=3 13380 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|1,0,1]=4 13381 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 13382 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 13383 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 13384 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|1,0,0]=3 13385 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|1,0,0]=3 13386 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|1,0,0]=3 13387 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|1,0,0]=3 13388 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,0]=3 13389 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,0]=3 13390 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,0]=3 13391 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,0]=3 13392 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,0]=3 13393 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,0,0]=3 13394 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,0,0]=3 13395 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,0,0]=3 13396 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,0,0]=3 13397 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,1,0,0,0,0|1,0,0]=3 13398 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,1,0,0,0,0|1,0,0]=3 13399 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,1,0,0,0,0|1,0,0]=3 13400 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,1,0,0,0,0|1,0,0]=3 13401 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,1,0,0,0,0|1,0,0]=3 13402 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,1,0,0,0,0|1,0,0]=3 13403 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [1,1,0,0,0,0|2,0,0]=4 13404 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,1,0,0,0,0|1,0,0]=3 13405 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,1,0,0,0,0|1,0,0]=3 13406 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,1,0,0,0,0|1,0,1]=4 13407 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,1,0,0,0,0|1,0,1]=4 13408 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,1,0,0,0,0|1,0,1]=4 13409 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,1,0,0,0,0|1,0,1]=4 13410 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,1]=4 13411 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,1]=4 13412 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,1,0,0,0,0|1,0,0]=3 13413 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,1,0,0,0,0|1,0,0]=3 13414 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [1,1,0,0,0,0|1,0,0]=3 13415 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [1,1,0,0,0,0|1,0,0]=3 13416 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|1,0,0]=3 13417 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|1,0,0]=3 13418 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|1,0,0]=3 13419 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [1,1,0,0,0,0|2,0,0]=4 13420 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [1,1,0,0,0,0|2,0,0]=4 13421 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 13422 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [1,1,0,0,0,0|1,0,0]=3 13423 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [1,1,0,0,0,0|1,0,0]=3 13424 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,1,0,0,0,0|1,0,0]=3 13425 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,1,0,0,0,0|1,0,0]=3 13426 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [1,1,0,0,0,0|1,0,0]=3 13427 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [1,1,0,0,0,0|2,0,0]=4 13428 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [1,1,0,0,0,0|2,0,0]=4 13429 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [1,1,0,0,0,0|1,0,0]=3 13430 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [1,1,0,0,0,0|1,0,0]=3 13431 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,1,0,0,0,0|1,0,0]=3 13432 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,1,0,0,0,0|1,0,0]=3 13433 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,1,0,0,0,0|1,0,0]=3 13434 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [1,1,0,0,0,0|1,0,0]=3 13435 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [1,1,0,0,0,0|1,0,0]=3 13436 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [1,1,0,0,0,0|1,0,0]=3 13437 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [1,1,0,0,0,0|1,0,0]=3 13438 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,1,0,0,0,0|1,0,0]=3 13439 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [1,1,0,0,0,0|1,0,0]=3 13440 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [1,1,0,0,0,0|2,0,0]=4 13441 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [1,1,0,0,0,0|1,0,0]=3 13442 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [1,1,0,0,0,0|2,0,0]=4 13443 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [1,1,0,0,0,0|1,0,0]=3 13444 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [1,1,0,0,0,0|1,0,0]=3 13445 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,1,0,0,0,0|1,0,1]=4 13446 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,1,0,0,0,0|1,0,1]=4 13447 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,1,0,0,0,0|1,0,0]=3 13448 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,1,0,0,0,0|1,0,0]=3 13449 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [1,1,0,0,0,0|2,0,0]=4 13450 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [1,1,0,0,0,0|2,0,0]=4 13451 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [1,1,0,0,0,0|2,0,0]=4 13452 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [1,1,0,0,0,0|1,0,0]=3 13453 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [1,1,0,0,0,0|1,0,0]=3 13454 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [1,1,0,0,0,0|1,0,0]=3 13455 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [1,1,0,0,0,0|1,0,0]=3 13456 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,1,0,0,0,0|1,0,0]=3 13457 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,1,0,0,0,0|1,0,0]=3 13458 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,1,0,0,0,0|1,0,0]=3 13459 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [1,1,0,0,0,0|1,0,0]=3 13460 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [1,1,0,0,0,0|1,0,0]=3 13461 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [1,1,0,0,0,0|2,0,0]=4 13462 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [1,1,0,0,0,0|2,0,0]=4 13463 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [1,1,0,0,0,0|1,0,0]=3 13464 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [1,1,0,0,0,0|1,0,0]=3 13465 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [1,1,0,0,0,0|2,0,0]=4 13466 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,1,0,0,0,0|1,0,1]=4 13467 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,1,0,0,0,0|1,0,1]=4 13468 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,1,0,0,0,0|1,0,0]=3 13469 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,1,0,0,0,0|1,0,0]=3 13470 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [1,1,0,0,0,0|1,0,0]=3 13471 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [1,1,0,0,0,0|1,0,0]=3 13472 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [1,1,0,0,0,0|1,0,0]=3 13473 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [1,1,0,0,0,0|1,0,0]=3 13474 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,1,0,0,0,0|1,0,0]=3 13475 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,1,0,0,0,0|1,0,0]=3 13476 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [1,1,0,0,0,0|1,0,0]=3 13477 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [1,1,0,0,0,0|1,0,0]=3 13478 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [1,1,0,0,0,0|2,0,0]=4 13479 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [1,1,0,0,0,0|2,0,0]=4 13480 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [1,1,0,0,0,0|1,0,0]=3 13481 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [1,1,0,0,0,0|1,0,0]=3 13482 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|1,0,0]=3 13483 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [1,1,0,0,0,0|1,0,0]=3 13484 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [1,1,0,0,0,0|1,0,0]=3 13485 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,1,0,0,0,0|1,0,1]=4 13486 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|1,0,1]=4 13487 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|1,0,0]=3 13488 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,1,0,0,0,0|2,0,0]=4 13489 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [1,1,0,0,0,0|2,0,0]=4 13490 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [1,1,0,0,0,0|2,0,0]=4 13491 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [1,1,0,0,0,0|2,0,0]=4 13492 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [1,1,0,0,0,0|2,0,0]=4 13493 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [1,1,0,0,0,0|2,0,0]=4 13494 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [1,1,0,0,0,0|2,0,0]=4 13495 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [1,1,0,0,0,0|2,0,0]=4 13496 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [1,1,0,0,0,0|2,0,0]=4 13497 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [1,1,0,0,0,0|2,0,0]=4 13498 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|1,0,0]=3 13499 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [1,1,0,0,0,0|2,0,0]=4 13500 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [1,1,0,0,0,0|2,0,0]=4 13501 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [1,1,0,0,0,0|2,0,0]=4 13502 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [1,1,0,0,0,0|2,0,0]=4 13503 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [1,1,0,0,0,0|2,0,0]=4 13504 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [1,1,0,0,0,0|2,0,0]=4 13505 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [1,1,0,0,0,0|2,0,0]=4 13506 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [1,1,0,0,0,0|2,0,0]=4 13507 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [1,1,0,0,0,0|2,0,0]=4 13508 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [1,1,0,0,0,0|2,0,0]=4 13509 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [1,1,0,0,0,0|2,0,0]=4 13510 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [1,1,0,0,0,0|2,0,0]=4 13511 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [1,1,0,0,0,0|2,0,0]=4 13512 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [1,1,0,0,0,0|2,0,0]=4 13513 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [1,1,0,0,0,0|2,0,0]=4 13514 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [1,1,0,0,0,0|2,0,0]=4 13515 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [1,1,0,0,0,0|2,0,0]=4 13516 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [1,1,0,0,0,0|2,0,0]=4 13517 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [1,1,0,0,0,0|2,0,0]=4 13518 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [1,1,0,0,0,0|2,0,0]=4 13519 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [1,1,0,0,0,0|2,0,0]=4 13520 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [1,1,0,0,0,0|2,0,0]=4 13521 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [1,1,0,0,0,0|2,0,0]=4 13522 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [1,1,0,0,0,0|2,0,0]=4 13523 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [1,1,0,0,0,0|2,0,0]=4 13524 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [1,1,0,0,0,0|2,0,0]=4 13525 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [1,1,0,0,0,0|1,0,0]=3 13526 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [1,1,0,0,0,0|1,0,0]=3 13527 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [1,1,0,0,0,0|2,0,0]=4 13528 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [1,1,0,0,0,0|2,0,0]=4 13529 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [1,1,0,0,0,0|2,0,0]=4 13530 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [1,1,0,0,0,0|2,0,0]=4 13531 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [1,1,0,0,0,0|2,0,0]=4 13532 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [1,1,0,0,0,0|2,0,0]=4 13533 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [1,1,0,0,0,0|2,0,0]=4 13534 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [1,1,0,0,0,0|2,0,0]=4 13535 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [1,1,0,0,0,0|2,0,0]=4 13536 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [1,1,0,0,0,0|2,0,0]=4 13537 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [1,1,0,0,0,0|2,0,0]=4 13538 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [1,1,0,0,0,0|2,0,0]=4 13539 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [1,1,0,0,0,0|2,0,0]=4 13540 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [1,1,0,0,0,0|2,0,0]=4 13541 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [1,1,0,0,0,0|2,0,0]=4 13542 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [1,1,0,0,0,0|2,0,0]=4 13543 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [1,1,0,0,0,0|2,0,0]=4 13544 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [1,1,0,0,0,0|2,0,0]=4 13545 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [1,1,0,0,0,0|2,0,0]=4 13546 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [1,1,0,0,0,0|2,0,0]=4 13547 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [1,1,0,0,0,0|2,0,0]=4 13548 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [1,1,0,0,0,0|2,0,0]=4 13549 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [1,1,0,0,0,0|2,0,0]=4 13550 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [1,1,0,0,0,0|2,0,0]=4 13551 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [1,1,0,0,0,0|2,0,0]=4 13552 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [1,1,0,0,0,0|2,0,0]=4 13553 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [1,1,0,0,0,0|2,0,0]=4 13554 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [1,1,0,0,0,0|2,0,0]=4 13555 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [1,1,0,0,0,0|2,0,0]=4 13556 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [1,1,0,0,0,0|2,0,0]=4 13557 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [1,1,0,0,0,0|2,0,0]=4 13558 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [1,1,0,0,0,0|2,0,0]=4 13559 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [1,1,0,0,0,0|2,0,0]=4 13560 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [1,1,0,0,0,0|2,0,0]=4 13561 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [1,1,0,0,0,0|2,0,0]=4 13562 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [1,1,0,0,0,0|2,0,0]=4 13563 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [1,1,0,0,0,0|2,0,0]=4 13564 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [1,1,0,0,0,0|2,0,0]=4 13565 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [1,1,0,0,0,0|2,0,0]=4 13566 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [1,1,0,0,0,0|2,0,0]=4 13567 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [1,1,0,0,0,0|2,0,0]=4 13568 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [1,1,0,0,0,0|2,0,0]=4 13569 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [1,1,0,0,0,0|2,0,0]=4 13570 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [1,1,0,0,0,0|2,0,0]=4 13571 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [1,1,0,0,0,0|2,0,0]=4 13572 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [1,1,0,0,0,0|2,0,0]=4 13573 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [1,1,0,0,0,0|2,0,0]=4 13574 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [1,1,0,0,0,0|2,0,0]=4 13575 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [1,1,0,0,0,0|2,0,0]=4 13576 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [1,1,0,0,0,0|2,0,0]=4 13577 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [1,1,0,0,0,0|2,0,0]=4 13578 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [1,1,0,0,0,0|2,0,0]=4 13579 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [1,1,0,0,0,0|2,0,0]=4 13580 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [1,1,0,0,0,0|2,0,0]=4 13581 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [1,1,0,0,0,0|2,0,0]=4 13582 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [1,1,0,0,0,0|2,0,0]=4 13583 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [1,1,0,0,0,0|2,0,0]=4 13584 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [1,1,0,0,0,0|2,0,0]=4 13585 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [1,1,0,0,0,0|2,0,0]=4 13586 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [1,1,0,0,0,0|2,0,0]=4 13587 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [1,1,0,0,0,0|2,0,0]=4 13588 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [1,1,0,0,0,0|2,0,0]=4 13589 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [1,1,0,0,0,0|2,0,0]=4 13590 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [1,1,0,0,0,0|2,0,0]=4 13591 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [1,1,0,0,0,0|2,0,0]=4 13592 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [1,1,0,0,0,0|2,0,0]=4 13593 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [1,1,0,0,0,0|2,0,0]=4 13594 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [1,1,0,0,0,0|2,0,0]=4 13595 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [1,1,0,0,0,0|2,0,0]=4 13596 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [1,1,0,0,0,0|2,0,0]=4 13597 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [1,1,0,0,0,0|2,0,0]=4 13598 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [1,1,0,0,0,0|2,0,0]=4 13599 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [1,1,0,0,0,0|2,0,0]=4 13600 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [1,1,0,0,0,0|2,0,0]=4 13601 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [1,1,0,0,0,0|2,0,0]=4 13602 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [1,1,0,0,0,0|2,0,0]=4 13603 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [1,1,0,0,0,0|2,0,0]=4 13604 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [1,1,0,0,0,0|2,0,0]=4 13605 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [1,1,0,0,0,0|2,0,0]=4 13606 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [1,1,0,0,0,0|2,0,0]=4 13607 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [1,1,0,0,0,0|2,0,0]=4 13608 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [1,1,0,0,0,0|2,0,0]=4 13609 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [1,1,0,0,0,0|2,0,0]=4 13610 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [1,1,0,0,0,0|2,0,0]=4 13611 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [1,1,0,0,0,0|2,0,0]=4 13612 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [1,1,0,0,0,0|2,0,0]=4 13613 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [1,1,0,0,0,0|2,0,0]=4 13614 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [1,1,0,0,0,0|2,0,0]=4 13615 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [1,1,0,0,0,0|2,0,0]=4 13616 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [1,1,0,0,0,0|2,0,0]=4 13617 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [1,1,0,0,0,0|2,0,0]=4 13618 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [1,1,0,0,0,0|2,0,0]=4 13619 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [1,1,0,0,0,0|2,0,0]=4 13620 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [1,1,0,0,0,0|2,0,0]=4 13621 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [1,1,0,0,0,0|2,0,0]=4 13622 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [1,1,0,0,0,0|2,0,0]=4 13623 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [1,1,0,0,0,0|2,0,0]=4 13624 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [1,1,0,0,0,0|2,0,0]=4 13625 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [1,1,0,0,0,0|2,0,0]=4 13626 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [1,1,0,0,0,0|2,0,0]=4 13627 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [1,1,0,0,0,0|2,0,0]=4 13628 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [1,1,0,0,0,0|2,0,0]=4 13629 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [1,1,0,0,0,0|1,0,0]=3 13630 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [1,1,0,0,0,0|1,0,0]=3 13631 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [1,1,0,0,0,0|2,0,0]=4 13632 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [1,1,0,0,0,0|2,0,0]=4 13633 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [1,1,0,0,0,0|2,0,0]=4 13634 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [1,1,0,0,0,0|2,0,0]=4 13635 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [1,1,0,0,0,0|2,0,0]=4 13636 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [1,1,0,0,0,0|2,0,0]=4 13637 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [1,1,0,0,0,0|2,0,0]=4 13638 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [1,1,0,0,0,0|2,0,0]=4 13639 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [1,1,0,0,0,0|2,0,0]=4 13640 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [1,1,0,0,0,0|2,0,0]=4 13641 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [1,1,0,0,0,0|1,0,0]=3 13642 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [1,1,0,0,0,0|2,0,0]=4 13643 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [1,1,0,0,0,0|2,0,0]=4 13644 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [1,1,0,0,0,0|2,0,0]=4 13645 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [1,1,0,0,0,0|2,0,0]=4 13646 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [1,1,0,0,0,0|2,0,0]=4 13647 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [1,1,0,0,0,0|2,0,0]=4 13648 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [1,1,0,0,0,0|2,0,0]=4 13649 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [1,1,0,0,0,0|1,0,0]=3 13650 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [1,1,0,0,0,0|1,0,0]=3 13651 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [1,1,0,0,0,0|2,0,0]=4 13652 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [1,1,0,0,0,0|2,0,0]=4 13653 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|1,0,1]=4 13654 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [1,1,0,0,0,0|2,0,0]=4 13655 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [1,1,0,0,0,0|2,0,0]=4 13656 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [1,1,0,0,0,0|2,0,0]=4 13657 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [1,1,0,0,0,0|2,0,0]=4 13658 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [1,1,0,0,0,0|2,0,0]=4 13659 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [1,1,0,0,0,0|2,0,0]=4 13660 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [1,1,0,0,0,0|2,0,0]=4 13661 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [1,1,0,0,0,0|2,0,0]=4 13662 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [1,1,0,0,0,0|2,0,0]=4 13663 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [1,1,0,0,0,0|2,0,0]=4 13664 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [1,1,0,0,0,0|2,0,0]=4 13665 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [1,1,0,0,0,0|2,0,0]=4 13666 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [1,1,0,0,0,0|2,0,0]=4 13667 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [1,1,0,0,0,0|2,0,0]=4 13668 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [1,1,0,0,0,0|2,0,0]=4 13669 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [1,1,0,0,0,0|2,0,0]=4 13670 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [1,1,0,0,0,0|2,0,0]=4 13671 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [1,1,0,0,0,0|2,0,0]=4 13672 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [1,1,0,0,0,0|2,0,0]=4 13673 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [1,1,0,0,0,0|2,0,0]=4 13674 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [1,1,0,0,0,0|2,0,0]=4 13675 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [1,1,0,0,0,0|2,0,0]=4 13676 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [1,1,0,0,0,0|2,0,0]=4 13677 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [1,1,0,0,0,0|2,0,0]=4 13678 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [1,1,0,0,0,0|2,0,0]=4 13679 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [1,1,0,0,0,0|2,0,0]=4 13680 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [1,1,0,0,0,0|2,0,0]=4 13681 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [1,1,0,0,0,0|2,0,0]=4 13682 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [1,1,0,0,0,0|2,0,0]=4 13683 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [1,1,0,0,0,0|2,0,0]=4 13684 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [1,1,0,0,0,0|2,0,0]=4 13685 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [1,1,0,0,0,0|2,0,0]=4 13686 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [1,1,0,0,0,0|2,0,0]=4 13687 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [1,1,0,0,0,0|2,0,0]=4 13688 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [1,1,0,0,0,0|2,0,0]=4 13689 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [1,1,0,0,0,0|2,0,0]=4 13690 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [1,1,0,0,0,0|2,0,0]=4 13691 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [1,1,0,0,0,0|2,0,0]=4 13692 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [1,1,0,0,0,0|2,0,0]=4 13693 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [1,1,0,0,0,0|2,0,0]=4 13694 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [1,1,0,0,0,0|2,0,0]=4 13695 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [1,1,0,0,0,0|2,0,0]=4 13696 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [1,1,0,0,0,0|2,0,0]=4 13697 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [1,1,0,0,0,0|2,0,0]=4 13698 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [1,1,0,0,0,0|2,0,0]=4 13699 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [1,1,0,0,0,0|2,0,0]=4 13700 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [1,1,0,0,0,0|2,0,0]=4 13701 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [1,1,0,0,0,0|2,0,0]=4 13702 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [1,1,0,0,0,0|2,0,0]=4 13703 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [1,1,0,0,0,0|2,0,0]=4 13704 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [1,1,0,0,0,0|2,0,0]=4 13705 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [1,1,0,0,0,0|2,0,0]=4 13706 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [1,1,0,0,0,0|2,0,0]=4 13707 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [1,1,0,0,0,0|2,0,0]=4 13708 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [1,1,0,0,0,0|2,0,0]=4 13709 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [1,1,0,0,0,0|2,0,0]=4 13710 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [1,1,0,0,0,0|2,0,0]=4 13711 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [1,1,0,0,0,0|2,0,0]=4 13712 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [1,1,0,0,0,0|2,0,0]=4 13713 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [1,1,0,0,0,0|2,0,0]=4 13714 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [1,1,0,0,0,0|2,0,0]=4 13715 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [1,1,0,0,0,0|2,0,0]=4 13716 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [1,1,0,0,0,0|2,0,0]=4 13717 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [1,1,0,0,0,0|2,0,0]=4 13718 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [1,1,0,0,0,0|2,0,0]=4 13719 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [1,1,0,0,0,0|2,0,0]=4 13720 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|1,0,1]=4 13721 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|1,0,1]=4 13722 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,1]=4 13723 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [1,1,0,0,0,0|2,0,0]=4 13724 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [1,1,0,0,0,0|2,0,0]=4 13725 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [1,1,0,0,0,0|2,0,0]=4 13726 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [1,1,0,0,0,0|2,0,0]=4 13727 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [1,1,0,0,0,0|2,0,0]=4 13728 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [1,1,0,0,0,0|2,0,0]=4 13729 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [1,1,0,0,0,0|2,0,0]=4 13730 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [1,1,0,0,0,0|2,0,0]=4 13731 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [1,1,0,0,0,0|2,0,0]=4 13732 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [1,1,0,0,0,0|2,0,0]=4 13733 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [1,1,0,0,0,0|2,0,0]=4 13734 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [1,1,0,0,0,0|2,0,0]=4 13735 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [1,1,0,0,0,0|2,0,0]=4 13736 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [1,1,0,0,0,0|2,0,0]=4 13737 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [1,1,0,0,0,0|2,0,0]=4 13738 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [1,1,0,0,0,0|2,0,0]=4 13739 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [1,1,0,0,0,0|2,0,0]=4 13740 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [1,1,0,0,0,0|2,0,0]=4 13741 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [1,1,0,0,0,0|2,0,0]=4 13742 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [1,1,0,0,0,0|2,0,0]=4 13743 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [1,1,0,0,0,0|2,0,0]=4 13744 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [1,1,0,0,0,0|2,0,0]=4 13745 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [1,1,0,0,0,0|2,0,0]=4 13746 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [1,1,0,0,0,0|2,0,0]=4 13747 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [1,1,0,0,0,0|2,0,0]=4 13748 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [1,1,0,0,0,0|2,0,0]=4 13749 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [1,1,0,0,0,0|2,0,0]=4 13750 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [1,1,0,0,0,0|2,0,0]=4 13751 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [1,1,0,0,0,0|2,0,0]=4 13752 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [1,1,0,0,0,0|2,0,0]=4 13753 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [1,1,0,0,0,0|2,0,0]=4 13754 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [1,1,0,0,0,0|2,0,0]=4 13755 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [1,1,0,0,0,0|2,0,0]=4 13756 B10R0.91 CC(CCCCl)OCCCO 34a_200000718107_100000230001 [1,1,0,0,0,0|2,0,0]=4 13757 B10R0.91 CC(CCCCl)OCCCO 7a_200000718107_100011215043 [1,1,0,0,0,0|2,0,0]=4 13758 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|1,0,1]=4 13759 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|0,0,1]=3 13760 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|0,0,1]=3 13761 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|1,0,1]=4 13762 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|1,0,1]=4 13763 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|1,0,1]=4 13764 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|1,0,1]=4 13765 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|1,0,1]=4 13766 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|1,0,1]=4 13767 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|1,0,1]=4 13768 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|1,0,1]=4 13769 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [1,1,0,0,0,0|1,0,1]=4 13770 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|1,0,1]=4 13771 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,1,0,0,0,0|1,0,1]=4 13772 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,1,0,0,0,0|1,0,1]=4 13773 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [1,1,0,0,0,0|1,0,0]=3 13774 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [1,1,0,0,0,0|1,0,0]=3 13775 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [1,1,0,0,0,0|2,0,0]=4 13776 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [1,1,0,0,0,0|2,0,0]=4 13777 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [1,1,0,0,0,0|1,0,0]=3 13778 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [1,1,0,0,0,0|1,0,0]=3 13779 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [1,1,0,0,0,0|2,0,0]=4 13780 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [1,1,0,0,0,0|2,0,0]=4 13781 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [1,1,0,0,0,0|2,0,0]=4 13782 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [1,1,0,0,0,0|2,0,0]=4 13783 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [1,1,0,0,0,0|2,0,0]=4 13784 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [1,1,0,0,0,0|1,0,0]=3 13785 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [1,1,0,0,0,0|1,0,0]=3 13786 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [1,1,0,0,0,0|2,0,0]=4 13787 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [1,1,0,0,0,0|2,0,0]=4 13788 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [1,1,0,0,0,0|2,0,0]=4 13789 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [1,1,0,0,0,0|2,0,0]=4 13790 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [1,1,0,0,0,0|2,0,0]=4 13791 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [1,1,0,0,0,0|2,0,0]=4 13792 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [1,1,0,0,0,0|2,0,0]=4 13793 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [1,1,0,0,0,0|2,0,0]=4 13794 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [1,1,0,0,0,0|2,0,0]=4 13795 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [1,1,0,0,0,0|2,0,0]=4 13796 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [1,1,0,0,0,0|2,0,0]=4 13797 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [1,1,0,0,0,0|2,0,0]=4 13798 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [1,1,0,0,0,0|1,0,0]=3 13799 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [1,1,0,0,0,0|1,0,0]=3 13800 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [1,1,0,0,0,0|2,0,0]=4 13801 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [1,1,0,0,0,0|2,0,0]=4 13802 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [1,1,0,0,0,0|2,0,0]=4 13803 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [1,1,0,0,0,0|2,0,0]=4 13804 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [1,1,0,0,0,0|2,0,0]=4 13805 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [1,1,0,0,0,0|2,0,0]=4 13806 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [1,1,0,0,0,0|2,0,0]=4 13807 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [1,1,0,0,0,0|2,0,0]=4 13808 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [1,1,0,0,0,0|2,0,0]=4 13809 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [1,1,0,0,0,0|1,0,0]=3 13810 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [1,1,0,0,0,0|1,0,0]=3 13811 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [1,1,0,0,0,0|2,0,0]=4 13812 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [1,1,0,0,0,0|2,0,0]=4 13813 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [1,1,0,0,0,0|2,0,0]=4 13814 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [1,1,0,0,0,0|2,0,0]=4 13815 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [1,1,0,0,0,0|2,0,0]=4 13816 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [1,1,0,0,0,0|2,0,0]=4 13817 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|0,0,1]=3 13818 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|0,0,1]=3 13819 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,1]=4 13820 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|0,0,1]=3 13821 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,1]=4 13822 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,1]=4 13823 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,1]=4 13824 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,1]=4 13825 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,1]=4 13826 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,1]=4 13827 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,1]=4 13828 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|1,0,1]=4 13829 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|1,0,1]=4 13830 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|1,0,1]=4 13831 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 13832 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 13833 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 13834 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 13835 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 13836 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 13837 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,1,0,0,0,0|1,0,0]=3 13838 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,1,0,0,0,0|1,0,0]=3 13839 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [1,1,0,0,0,0|2,0,0]=4 13840 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [1,1,0,0,0,0|2,0,0]=4 13841 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [1,1,0,0,0,0|1,0,0]=3 13842 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [1,1,0,0,0,0|1,0,0]=3 13843 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [1,1,0,0,0,0|1,0,0]=3 13844 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [1,1,0,0,0,0|1,0,0]=3 13845 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [1,1,0,0,0,0|2,0,0]=4 13846 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [1,1,0,0,0,0|2,0,0]=4 13847 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,1,0,0,0,0|2,0,0]=4 13848 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,0]=3 13849 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,0]=3 13850 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,0]=3 13851 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,1,0,0,0,0|2,0,0]=4 13852 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,1,0,0,0,0|2,0,0]=4 13853 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|2,0,0]=4 13854 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|1,0,0]=3 13855 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|1,0,0]=3 13856 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,1,0,0,0,0|2,0,0]=4 13857 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,1,0,0,0,0|1,0,0]=3 13858 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,1,0,0,0,0|1,0,0]=3 13859 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [1,1,0,0,0,0|2,0,0]=4 13860 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [1,1,0,0,0,0|2,0,0]=4 13861 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [1,1,0,0,0,0|1,0,0]=3 13862 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [1,1,0,0,0,0|1,0,0]=3 13863 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [1,1,0,0,0,0|2,0,0]=4 13864 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [1,1,0,0,0,0|2,0,0]=4 13865 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [1,1,0,0,0,0|2,0,0]=4 13866 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [1,1,0,0,0,0|2,0,0]=4 13867 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,1,0,0,0,0|1,0,0]=3 13868 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,1,0,0,0,0|1,0,0]=3 13869 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,1,0,0,0,0|1,0,0]=3 13870 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,1,0,0,0,0|1,0,0]=3 13871 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 13872 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 13873 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,1,0,0,0,0|1,0,0]=3 13874 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,1,0,0,0,0|1,0,0]=3 13875 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,1,0,0,0,0|1,0,0]=3 13876 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,1,0,0,0,0|1,0,0]=3 13877 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [1,1,0,0,0,0|2,0,0]=4 13878 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [1,1,0,0,0,0|2,0,0]=4 13879 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [1,1,0,0,0,0|2,0,0]=4 13880 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [1,1,0,0,0,0|2,0,0]=4 13881 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [1,1,0,0,0,0|2,0,0]=4 13882 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [1,1,0,0,0,0|2,0,0]=4 13883 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [1,1,0,0,0,0|2,0,0]=4 13884 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [1,1,0,0,0,0|2,0,0]=4 13885 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 13886 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [1,1,0,0,0,0|2,0,0]=4 13887 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [1,1,0,0,0,0|2,0,0]=4 13888 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [1,1,0,0,0,0|1,0,0]=3 13889 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [1,1,0,0,0,0|1,0,0]=3 13890 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [1,1,0,0,0,0|1,0,0]=3 13891 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [1,1,0,0,0,0|1,0,0]=3 13892 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [1,1,0,0,0,0|1,0,0]=3 13893 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [1,1,0,0,0,0|1,0,0]=3 13894 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [1,1,0,0,0,0|2,0,0]=4 13895 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [1,1,0,0,0,0|2,0,0]=4 13896 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [1,1,0,0,0,0|2,0,0]=4 13897 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [1,1,0,0,0,0|2,0,0]=4 13898 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [1,1,0,0,0,0|2,0,0]=4 13899 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [1,1,0,0,0,0|2,0,0]=4 13900 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [1,1,0,0,0,0|2,0,0]=4 13901 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [1,1,0,0,0,0|2,0,0]=4 13902 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [1,1,0,0,0,0|1,0,0]=3 13903 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [1,1,0,0,0,0|1,0,0]=3 13904 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 13905 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 13906 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 13907 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 13908 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [1,1,0,0,0,0|1,0,0]=3 13909 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [1,1,0,0,0,0|1,0,0]=3 13910 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [1,1,0,0,0,0|1,0,0]=3 13911 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [1,1,0,0,0,0|1,0,0]=3 13912 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [1,1,0,0,0,0|2,0,0]=4 13913 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [1,1,0,0,0,0|2,0,0]=4 13914 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [1,1,0,0,0,0|2,0,0]=4 13915 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,0]=3 13916 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,0]=3 13917 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,0]=3 13918 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,0]=3 13919 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|2,0,0]=4 13920 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|2,0,0]=4 13921 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|2,0,0]=4 13922 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|2,0,0]=4 13923 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [1,1,0,0,0,0|1,0,0]=3 13924 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [1,1,0,0,0,0|1,0,0]=3 13925 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [1,1,0,0,0,0|1,0,0]=3 13926 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [1,1,0,0,0,0|2,0,0]=4 13927 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [1,1,0,0,0,0|1,0,0]=3 13928 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [1,1,0,0,0,0|2,0,0]=4 13929 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|1,0,1]=4 13930 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [1,1,0,0,0,0|2,0,0]=4 13931 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|2,0,0]=4 13932 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [1,1,0,0,0,0|2,0,0]=4 13933 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [1,1,0,0,0,0|2,0,0]=4 13934 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [1,1,0,0,0,0|2,0,0]=4 13935 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 13936 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 13937 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [1,1,0,0,0,0|1,0,0]=3 13938 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [1,1,0,0,0,0|1,0,0]=3 13939 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [1,1,0,0,0,0|2,0,0]=4 13940 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [1,1,0,0,0,0|2,0,0]=4 13941 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [1,1,0,0,0,0|2,0,0]=4 13942 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [1,1,0,0,0,0|2,0,0]=4 13943 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|1,0,1]=4 13944 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [1,1,0,0,0,0|2,0,0]=4 13945 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|1,0,1]=4 13946 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [1,1,0,0,0,0|2,0,0]=4 13947 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|1,0,1]=4 13948 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [1,1,0,0,0,0|2,0,0]=4 13949 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [1,1,0,0,0,0|2,0,0]=4 13950 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [1,1,0,0,0,0|2,0,0]=4 13951 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [1,1,0,0,0,0|2,0,0]=4 13952 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|1,0,1]=4 13953 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [1,1,0,0,0,0|2,0,0]=4 13954 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [1,1,0,0,0,0|2,0,0]=4 13955 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [1,1,0,0,0,0|2,0,0]=4 13956 B10R0.91 CCOCN(C)CCCCO 269982a_100000717598_100000739092 [1,1,0,0,0,0|2,0,0]=4 13957 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [1,1,0,0,0,0|2,0,0]=4 13958 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|1,0,1]=4 13959 B10R0.91 CCSCC(C)NCCCO 270004a_100000182051_200011216171 [1,1,0,0,0,0|2,0,0]=4 13960 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|1,0,1]=4 13961 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [1,1,0,0,0,0|2,0,0]=4 13962 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [1,1,0,0,0,0|2,0,0]=4 13963 B10R0.91 CN(CCCF)CCCCO 2230a_100000717598_100011934791 [1,1,0,0,0,0|2,0,0]=4 13964 B10R0.91 CN(CCCF)CCCCO 269982a_100000717598_100011934791 [1,1,0,0,0,0|2,0,0]=4 13965 B10R0.91 CN(CCCO)CCCCF 2230a_100000213112_100000729493 [1,1,0,0,0,0|2,0,0]=4 13966 B10R0.91 CN(CCCO)CCCCF 269982a_100000213112_100000729493 [1,1,0,0,0,0|2,0,0]=4 13967 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [1,1,0,0,0,0|2,0,0]=4 13968 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [1,1,0,0,0,0|2,0,0]=4 13969 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [1,1,0,0,0,0|2,0,0]=4 13970 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [1,1,0,0,0,0|2,0,0]=4 13971 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|1,0,1]=4 13972 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|1,0,1]=4 13973 B10R0.91 COCCC(C)NCCCO 270004a_100000182051_100000742357 [1,1,0,0,0,0|2,0,0]=4 13974 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|1,0,1]=4 13975 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [1,1,0,0,0,0|2,0,0]=4 13976 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [1,1,0,0,0,0|2,0,0]=4 13977 B10R0.91 COCCCN(C)CCCO 2230a_100000213112_100000740836 [1,1,0,0,0,0|2,0,0]=4 13978 B10R0.91 COCCCN(C)CCCO 2230a_100000224831_100000230001 [1,1,0,0,0,0|2,0,0]=4 13979 B10R0.91 COCCCN(C)CCCO 269982a_100000213112_100000740836 [1,1,0,0,0,0|2,0,0]=4 13980 B10R0.91 COCCCN(C)CCCO 269982a_100000224831_100011215043 [1,1,0,0,0,0|2,0,0]=4 13981 B10R0.91 COCCN(C)CCCCO 2230a_100000717598_100011201679 [1,1,0,0,0,0|2,0,0]=4 13982 B10R0.91 COCCN(C)CCCCO 2230a_100000743101_100000210776 [1,1,0,0,0,0|2,0,0]=4 13983 B10R0.91 COCCN(C)CCCCO 269982a_100000717598_100000233755 [1,1,0,0,0,0|2,0,0]=4 13984 B10R0.91 COCCN(C)CCCCO 269982a_100000743101_100000210776 [1,1,0,0,0,0|2,0,0]=4 13985 B10R0.91 COCNC[C@H](C)CCCO 2230a_100160569302_100000766300 [1,1,0,0,0,0|2,0,0]=4 13986 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|1,0,1]=4 13987 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|1,0,1]=4 13988 B10R0.91 CSCCC(C)NCCCO 270004a_100000182051_100011217047 [1,1,0,0,0,0|2,0,0]=4 13989 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|1,0,1]=4 13990 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [1,1,0,0,0,0|2,0,0]=4 13991 B10R0.91 CSCCN(C)CCCCO 2230a_100000686725_100000210776 [1,1,0,0,0,0|2,0,0]=4 13992 B10R0.91 CSCCN(C)CCCCO 2230a_100000717598_100000751147 [1,1,0,0,0,0|2,0,0]=4 13993 B10R0.91 CSCCN(C)CCCCO 269982a_100000686725_100000210776 [1,1,0,0,0,0|2,0,0]=4 13994 B10R0.91 CSCCN(C)CCCCO 269982a_100000717598_100000212216 [1,1,0,0,0,0|2,0,0]=4 13995 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [1,1,0,0,0,0|2,0,0]=4 13996 B10R0.91 CSCNC[C@H](C)CCCO 2230a_100160569302_100011218213 [1,1,0,0,0,0|2,0,0]=4 13997 B10R0.91 CSCNC[C@H](C)CCCO 34a_100160569302_100011218213 [1,1,0,0,0,0|2,0,0]=4 13998 B10R0.91 C[C@H](CCCO)CNCCF 2230a_100160569302_100011217306 [1,1,0,0,0,0|2,0,0]=4 13999 B10R0.91 C[C@H](CCCO)CNCCF 34a_100160569302_100011217306 [1,1,0,0,0,0|2,0,0]=4 14000 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [1,1,0,0,0,0|2,0,0]=4 14001 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [1,1,0,0,0,0|2,0,0]=4 14002 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|1,0,1]=4 14003 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|1,0,1]=4 14004 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|1,0,1]=4 14005 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|1,0,1]=4 14006 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,2,0,0,0,0|0,0,2]=4 14007 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,2,0,0,0,0|0,0,2]=4 14008 B12R0.1 C#CCC(C)OCCCCCCC 34a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 14009 B12R0.1 C#CCC(C)OCCCCCCC 7a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 14010 B12R0.1 C#CCC(C)OCCCCCCO 34a_100000685586_100000766143 [0,2,0,0,0,0|0,0,2]=4 14011 B12R0.1 C#CCC(C)OCCCCCCO 7a_100000685586_100000766143 [0,2,0,0,0,0|0,0,2]=4 14012 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,2,0,0,0,0|1,0,1]=4 14013 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,2,0,0,0,0|1,0,1]=4 14014 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|0,0,2]=4 14015 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|0,0,2]=4 14016 B12R0.1 C#CCCCCCCN(C)CCC 2230a_100000747261_100012276617 [0,2,0,0,0,0|1,0,1]=4 14017 B12R0.1 C#CCCCCCCN(C)CCC 269982a_100000747261_100012276617 [0,2,0,0,0,0|1,0,1]=4 14018 B12R0.1 C#CCCCCCCN(C)CCO 2230a_100000210263_100012276617 [0,2,0,0,0,0|0,0,2]=4 14019 B12R0.1 C#CCCCCCCN(C)CCO 269982a_100000210263_100012276617 [0,2,0,0,0,0|0,0,2]=4 14020 B12R0.1 C#CCCCCCNC(C)CCC 2230a_100000741246_100012094781 [0,2,0,0,0,0|1,0,1]=4 14021 B12R0.1 C#CCCCCCN[C@H](C)CCO 2230a_100000706166_100012094781 [0,2,0,0,0,0|0,0,2]=4 14022 B12R0.1 C#CCCCCCN[C@H](C)CCO 34a_100000706166_100012094781 [0,2,0,0,0,0|0,0,2]=4 14023 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000764384_100012094781 [0,2,0,0,0,0|1,0,1]=4 14024 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000766912_100000766640 [0,2,0,0,0,0|1,0,1]=4 14025 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000764384_100012094781 [0,2,0,0,0,0|1,0,1]=4 14026 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000766912_100000766640 [0,2,0,0,0,0|1,0,1]=4 14027 B12R0.1 C#CCCCCCOC(C)CCO 34a_100000766912_100009893172 [0,2,0,0,0,0|0,0,2]=4 14028 B12R0.1 C#CCCCCCOC(C)CCO 7a_100000766912_100009893172 [0,2,0,0,0,0|0,0,2]=4 14029 B12R0.1 C#CCCCCCSC(C)CCC 62a_100000766640_100012094781 [0,2,0,0,0,0|1,0,1]=4 14030 B12R0.1 C#CCCCCCSC(C)CCC 62a_100012094781_100000766640 [0,2,0,0,0,0|1,0,1]=4 14031 B12R0.1 C#CCCCCCSC(C)CCO 62a_100009893172_100012094781 [0,2,0,0,0,0|0,0,2]=4 14032 B12R0.1 C#CCCCCCSC(C)CCO 62a_100012094781_100009893172 [0,2,0,0,0,0|0,0,2]=4 14033 B12R0.1 C#CCCCCNCC(C)CCC 2230a_100000706060_100011216630 [0,2,0,0,0,0|1,0,1]=4 14034 B12R0.1 C#CCCCCNCC(C)CCC 34a_100000706060_100011216630 [0,2,0,0,0,0|1,0,1]=4 14035 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000688023_100010269958 [0,2,0,0,0,0|1,0,1]=4 14036 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000766709_100011216630 [0,2,0,0,0,0|1,0,1]=4 14037 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000688023_100010269958 [0,2,0,0,0,0|1,0,1]=4 14038 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000766709_100011216630 [0,2,0,0,0,0|1,0,1]=4 14039 B12R0.1 C#CCCCCOC[C@@H](N)CCC 34a_100000732646_100010269958 [0,2,0,0,0,0|1,0,1]=4 14040 B12R0.1 C#CCCCCSCC(C)CCC 62a_100010269958_100011216630 [0,2,0,0,0,0|1,0,1]=4 14041 B12R0.1 C#CCCCCSCC(C)CCC 62a_100011216630_100010269958 [0,2,0,0,0,0|1,0,1]=4 14042 B12R0.1 C#CCCCOCCC(C)CCC 34a_100011217855_100000695029 [0,2,0,0,0,0|1,0,1]=4 14043 B12R0.1 C#CCCCOCCC(C)CCC 7a_100011217855_100011215417 [0,2,0,0,0,0|1,0,1]=4 14044 B12R0.1 C#CCCCOCC[C@@H](N)CCC 34a_100015193777_100000695029 [0,2,0,0,0,0|1,0,1]=4 14045 B12R0.1 C#CCCOCCCC(C)CCC 34a_100011713154_100000688953 [0,2,0,0,0,0|1,0,1]=4 14046 B12R0.1 C#CCCOCCCC(C)CCC 7a_100011713154_100000688953 [0,2,0,0,0,0|1,0,1]=4 14047 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000207567_100000038162 [0,2,0,0,0,0|1,0,1]=4 14048 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000225692_100000210759 [0,2,0,0,0,0|1,0,1]=4 14049 B12R0.1 C#CCN(C)CCCCCCCC 34a_100000225692_100000210759 [0,2,0,0,0,0|1,0,1]=4 14050 B12R0.1 C#CCN(C)CCCCCCCO 2230a_100000225692_100000760002 [0,2,0,0,0,0|0,0,2]=4 14051 B12R0.1 C#CCN(C)CCCCCCCO 34a_100000225692_100000760002 [0,2,0,0,0,0|0,0,2]=4 14052 B12R0.1 C/C=C/C(C)OCCCCCCO 34a_200102604097_100000766143 [0,2,0,0,0,0|0,0,2]=4 14053 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|1,0,1]=4 14054 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|1,0,1]=4 14055 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|0,0,2]=4 14056 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|0,0,2]=4 14057 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,2,0,0,0,0|1,0,1]=4 14058 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,2,0,0,0,0|1,0,1]=4 14059 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,2,0,0,0,0|0,0,2]=4 14060 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,2,0,0,0,0|0,0,2]=4 14061 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,2,0,0,0,0|1,0,1]=4 14062 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,2,0,0,0,0|1,0,1]=4 14063 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|0,0,2]=4 14064 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|0,0,2]=4 14065 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [0,2,0,0,0,0|1,0,1]=4 14066 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [0,2,0,0,0,0|1,0,1]=4 14067 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [0,2,0,0,0,0|0,0,2]=4 14068 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [0,2,0,0,0,0|0,0,2]=4 14069 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,2,0,0,0,0|1,0,1]=4 14070 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [0,2,0,0,0,0|0,0,2]=4 14071 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [0,2,0,0,0,0|0,0,2]=4 14072 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,2,0,0,0,0|1,0,1]=4 14073 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,2,0,0,0,0|1,0,1]=4 14074 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,2,0,0,0,0|1,0,1]=4 14075 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,2,0,0,0,0|1,0,1]=4 14076 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,2,0,0,0,0|0,0,2]=4 14077 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,2,0,0,0,0|0,0,2]=4 14078 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,2,0,0,0,0|1,0,1]=4 14079 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,2,0,0,0,0|1,0,1]=4 14080 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [0,2,0,0,0,0|0,0,2]=4 14081 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [0,2,0,0,0,0|0,0,2]=4 14082 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,2,0,0,0,0|1,0,1]=4 14083 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,2,0,0,0,0|1,0,1]=4 14084 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,2,0,0,0,0|1,0,1]=4 14085 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,2,0,0,0,0|1,0,1]=4 14086 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,2,0,0,0,0|1,0,1]=4 14087 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,2,0,0,0,0|1,0,1]=4 14088 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,2,0,0,0,0|1,0,1]=4 14089 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,2,0,0,0,0|1,0,1]=4 14090 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,2,0,0,0,0|1,0,1]=4 14091 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,2,0,0,0,0|1,0,1]=4 14092 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,2,0,0,0,0|1,0,1]=4 14093 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,2,0,0,0,0|1,0,1]=4 14094 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,2,0,0,0,0|1,0,1]=4 14095 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [0,2,0,0,0,0|1,0,1]=4 14096 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [0,2,0,0,0,0|1,0,1]=4 14097 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,2,0,0,0,0|1,0,1]=4 14098 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,2,0,0,0,0|1,0,1]=4 14099 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,2,0,0,0,0|1,0,1]=4 14100 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,2,0,0,0,0|1,0,1]=4 14101 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,2,0,0,0,0|0,0,2]=4 14102 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,2,0,0,0,0|0,0,2]=4 14103 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,2,0,0,0,0|1,0,1]=4 14104 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,2,0,0,0,0|1,0,1]=4 14105 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,2,0,0,0,0|0,0,2]=4 14106 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,2,0,0,0,0|0,0,2]=4 14107 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,2,0,0,0,0|1,0,1]=4 14108 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,2,0,0,0,0|0,0,2]=4 14109 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|0,0,2]=4 14110 B12R0.1 CC#CC(C)OCCCCCCO 34a_100011216543_100000766143 [0,2,0,0,0,0|0,0,2]=4 14111 B12R0.1 CC(CC#N)NCCCCCCO 2230a_100000686447_100009813641 [0,2,0,0,0,0|1,0,1]=4 14112 B12R0.1 CC(CC#N)SCCCCCCO 62a_100000766143_100009813641 [0,2,0,0,0,0|1,0,1]=4 14113 B12R0.1 CC(CC#N)SCCCCCCO 62a_100009813641_100000766143 [0,2,0,0,0,0|1,0,1]=4 14114 B12R0.1 CC(CCBr)OCCCCCCF 34a_100012276601_100015922095 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.1 CC(CCBr)OCCCCCCO 34a_100012276601_100000766143 [0,2,0,0,0,0|1,0,0]=3 14116 B12R0.1 CC(CCN)COCCCCCF 34a_106354213184_100000729378 [0,2,0,0,0,0|2,0,0]=4 14117 B12R0.1 CC(CCN)COCCCCCO 34a_106354213184_100000746330 [0,2,0,0,0,0|1,0,0]=3 14118 B12R0.1 CC(CCN)COCCOCCO 34a_106354213184_100000692535 [0,2,0,0,0,0|2,0,0]=4 14119 B12R0.1 CC(CCO)NCCCCCCO 2230a_100000686447_100009893172 [0,2,0,0,0,0|1,0,0]=3 14120 B12R0.1 CC(CCO)NCCCCCCO 34a_100000686447_100009893172 [0,2,0,0,0,0|1,0,0]=3 14121 B12R0.1 CC(CCO)OCCCCCCBr 34a_100011215345_100009893172 [0,2,0,0,0,0|1,0,0]=3 14122 B12R0.1 CC(CCO)OCCCCCCBr 7a_100011215345_100009893172 [0,2,0,0,0,0|1,0,0]=3 14123 B12R0.1 CC(CCO)OCCCCCCCl 34a_100000766143_100009893172 [0,2,0,0,0,0|1,0,0]=3 14124 B12R0.1 CC(CCO)OCCCCCCCl 7a_100000766143_100009893172 [0,2,0,0,0,0|1,0,0]=3 14125 B12R0.1 CC(CCO)OCCCCCCF 34a_100000732779_100009893172 [0,2,0,0,0,0|1,0,0]=3 14126 B12R0.1 CC(CCO)OCCCCCCF 7a_100000732779_100009893172 [0,2,0,0,0,0|1,0,0]=3 14127 B12R0.1 CC(CCO)OCCCCCCN 34a_100000686447_100009893172 [0,2,0,0,0,0|1,0,0]=3 14128 B12R0.1 CC(CCO)SCCCCCC#N 62a_100009813376_100009893172 [0,2,0,0,0,0|1,0,1]=4 14129 B12R0.1 CC(CCO)SCCCCCC#N 62a_100009893172_100009813376 [0,2,0,0,0,0|1,0,1]=4 14130 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [0,2,0,0,0,0|1,0,1]=4 14131 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [0,2,0,0,0,0|1,0,1]=4 14132 B12R0.1 CC(CCO)SCCCCCCF 62a_100009893172_100015922095 [0,2,0,0,0,0|1,0,0]=3 14133 B12R0.1 CC(CCO)SCCCCCCF 62a_100015922095_100009893172 [0,2,0,0,0,0|1,0,0]=3 14134 B12R0.1 CC(CCO)SCCCCCCO 62a_100000766143_100009893172 [0,2,0,0,0,0|1,0,0]=3 14135 B12R0.1 CC(CCO)SCCCCCCO 62a_100009893172_100000766143 [0,2,0,0,0,0|1,0,0]=3 14136 B12R0.1 CC/C=C/CCCOC(C)CCO 34a_100016287902_100009893172 [0,2,0,0,0,0|0,0,2]=4 14137 B12R0.1 CC/C=C/CCCOC(C)CCO 7a_100016287902_100009893172 [0,2,0,0,0,0|0,0,2]=4 14138 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|0,0,2]=4 14139 B12R0.1 CCCC#CCCOC(C)CCO 34a_100000042726_100009893172 [0,2,0,0,0,0|0,0,2]=4 14140 B12R0.1 CCCC#CCCOC(C)CCO 7a_100000042726_100009893172 [0,2,0,0,0,0|0,0,2]=4 14141 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,2,0,0,0,0|1,0,1]=4 14142 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|0,0,0]=2 14143 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|0,0,0]=2 14144 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|0,0,1]=3 14145 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,2,0,0,0,0|1,0,1]=4 14146 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,2,0,0,0,0|0,0,1]=3 14147 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,2,0,0,0,0|1,0,1]=4 14148 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,2,0,0,0,0|1,0,1]=4 14149 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,2,0,0,0,0|1,0,1]=4 14150 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,2,0,0,0,0|1,0,1]=4 14151 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,2,0,0,0,0|1,0,1]=4 14152 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,2,0,0,0,0|1,0,1]=4 14153 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,2,0,0,0,0|1,0,1]=4 14154 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,2,0,0,0,0|1,0,1]=4 14155 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,2,0,0,0,0|0,0,1]=3 14156 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,2,0,0,0,0|0,0,1]=3 14157 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,2,0,0,0,0|1,0,1]=4 14158 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,2,0,0,0,0|1,0,1]=4 14159 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,2,0,0,0,0|1,0,1]=4 14160 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,2,0,0,0,0|1,0,1]=4 14161 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,2,0,0,0,0|0,0,1]=3 14162 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,2,0,0,0,0|0,0,1]=3 14163 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,2,0,0,0,0|1,0,1]=4 14164 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,2,0,0,0,0|1,0,1]=4 14165 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,2,0,0,0,0|1,0,1]=4 14166 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,2,0,0,0,0|1,0,1]=4 14167 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,2,0,0,0,0|1,0,1]=4 14168 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,2,0,0,0,0|1,0,1]=4 14169 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,2,0,0,0,0|1,0,1]=4 14170 B12R0.1 CCCC(C)CCCOCCC#N 7a_100011713154_100000184422 [0,2,0,0,0,0|1,0,1]=4 14171 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [0,2,0,0,0,0|1,0,0]=3 14172 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [0,2,0,0,0,0|1,0,0]=3 14173 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,2,0,0,0,0|0,0,0]=2 14174 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,2,0,0,0,0|0,0,0]=2 14175 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,2,0,0,0,0|1,0,0]=3 14176 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,2,0,0,0,0|1,0,0]=3 14177 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,2,0,0,0,0|1,1,0]=4 14178 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,2,0,0,0,0|1,1,0]=4 14179 B12R0.1 CCCC(C)CCOCC#CCO 34a_100011217855_200000047223 [0,2,0,0,0,0|0,0,2]=4 14180 B12R0.1 CCCC(C)CCOCC#CCO 7a_100011217855_200000047223 [0,2,0,0,0,0|0,0,2]=4 14181 B12R0.1 CCCC(C)CCOCCCC#N 7a_100011217855_100000687738 [0,2,0,0,0,0|1,0,1]=4 14182 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,2,0,0,0,0|0,0,2]=4 14183 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [0,2,0,0,0,0|1,0,0]=3 14184 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [0,2,0,0,0,0|1,0,0]=3 14185 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,2,0,0,0,0|0,0,0]=2 14186 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,2,0,0,0,0|0,0,0]=2 14187 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [0,2,0,0,0,0|1,0,0]=3 14188 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [0,2,0,0,0,0|1,0,0]=3 14189 B12R0.1 CCCC(C)CCOCCOCC 34a_100011217855_100000210147 [0,2,0,0,0,0|2,0,0]=4 14190 B12R0.1 CCCC(C)CCOCCOCC 7a_100011217855_100011215890 [0,2,0,0,0,0|2,0,0]=4 14191 B12R0.1 CCCC(C)CCOCCSCC 34a_100011217855_100000757381 [0,2,0,0,0,0|2,0,0]=4 14192 B12R0.1 CCCC(C)CCOCCSCC 7a_100011217855_100000757381 [0,2,0,0,0,0|2,0,0]=4 14193 B12R0.1 CCCC(C)CNCCCCC#N 270004a_100000751965_100000243154 [0,2,0,0,0,0|1,0,1]=4 14194 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,2,0,0,0,0|0,0,0]=2 14195 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,2,0,0,0,0|0,0,0]=2 14196 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,2,0,0,0,0|0,0,0]=2 14197 B12R0.1 CCCC(C)CNCCCOCC 2230a_100000210961_100011216630 [0,2,0,0,0,0|2,0,0]=4 14198 B12R0.1 CCCC(C)CNCCCOCC 270004a_100000210961_100000243154 [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.1 CCCC(C)CNCCCOCC 34a_100000210961_100011216630 [0,2,0,0,0,0|2,0,0]=4 14200 B12R0.1 CCCC(C)CNCCOCCO 2230a_100000211614_100011216630 [0,2,0,0,0,0|1,0,0]=3 14201 B12R0.1 CCCC(C)CNCCOCCO 270004a_100000211614_100000243154 [0,2,0,0,0,0|1,0,0]=3 14202 B12R0.1 CCCC(C)CNCCOCCO 34a_100000211614_100011216630 [0,2,0,0,0,0|1,0,0]=3 14203 B12R0.1 CCCC(C)CNCCSCCO 2230a_100011219999_100011216630 [0,2,0,0,0,0|1,0,0]=3 14204 B12R0.1 CCCC(C)CNCCSCCO 270004a_100011219999_100000243154 [0,2,0,0,0,0|1,0,0]=3 14205 B12R0.1 CCCC(C)COCCCCC#N 7a_100000688023_100000211819 [0,2,0,0,0,0|1,0,1]=4 14206 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,2,0,0,0,0|0,0,2]=4 14207 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,2,0,0,0,0|1,0,0]=3 14208 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,2,0,0,0,0|1,0,0]=3 14209 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,2,0,0,0,0|1,0,0]=3 14210 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,2,0,0,0,0|1,0,0]=3 14211 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,2,0,0,0,0|1,0,0]=3 14212 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,2,0,0,0,0|1,0,0]=3 14213 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,2,0,0,0,0|1,0,0]=3 14214 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,2,0,0,0,0|1,0,0]=3 14215 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,2,0,0,0,0|1,0,0]=3 14216 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,2,0,0,0,0|0,0,0]=2 14217 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,2,0,0,0,0|0,0,0]=2 14218 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,2,0,0,0,0|1,0,0]=3 14219 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,2,0,0,0,0|1,0,0]=3 14220 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,2,0,0,0,0|1,0,0]=3 14221 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,2,0,0,0,0|1,1,0]=4 14222 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,2,0,0,0,0|1,1,0]=4 14223 B12R0.1 CCCC(C)COCCCOCC 34a_100000688023_100012232248 [0,2,0,0,0,0|2,0,0]=4 14224 B12R0.1 CCCC(C)COCCCOCC 34a_100000757476_100011216630 [0,2,0,0,0,0|2,0,0]=4 14225 B12R0.1 CCCC(C)COCCCOCC 7a_100000688023_100012232248 [0,2,0,0,0,0|2,0,0]=4 14226 B12R0.1 CCCC(C)COCCCOCC 7a_100000757476_100011216630 [0,2,0,0,0,0|2,0,0]=4 14227 B12R0.1 CCCC(C)COCCCSCC 34a_100011216438_100011216630 [0,2,0,0,0,0|2,0,0]=4 14228 B12R0.1 CCCC(C)COCCCSCC 7a_100011216438_100011216630 [0,2,0,0,0,0|2,0,0]=4 14229 B12R0.1 CCCC(C)COCCOCCBr 34a_100000692535_100011216630 [0,2,0,0,0,0|2,0,0]=4 14230 B12R0.1 CCCC(C)COCCOCCBr 7a_100000692535_100011216630 [0,2,0,0,0,0|2,0,0]=4 14231 B12R0.1 CCCC(C)COCCOCCCl 34a_100011215305_100011216630 [0,2,0,0,0,0|2,0,0]=4 14232 B12R0.1 CCCC(C)COCCOCCCl 7a_100011215305_100011216630 [0,2,0,0,0,0|2,0,0]=4 14233 B12R0.1 CCCC(C)COCCOCCF 34a_200015357709_100011216630 [0,2,0,0,0,0|2,0,0]=4 14234 B12R0.1 CCCC(C)COCCOCCF 7a_200015357709_100011216630 [0,2,0,0,0,0|2,0,0]=4 14235 B12R0.1 CCCC(C)COCCOCCI 34a_100012149058_100011216630 [0,2,0,0,0,0|2,0,0]=4 14236 B12R0.1 CCCC(C)COCCOCCI 7a_100012149058_100011216630 [0,2,0,0,0,0|2,0,0]=4 14237 B12R0.1 CCCC(C)COCCOCCN 34a_100000211614_100011216630 [0,2,0,0,0,0|2,0,0]=4 14238 B12R0.1 CCCC(C)COCCOCCO 34a_100000688023_100000692535 [0,2,0,0,0,0|1,0,0]=3 14239 B12R0.1 CCCC(C)COCCOCCO 7a_100000688023_100011215305 [0,2,0,0,0,0|1,0,0]=3 14240 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011216630_100000211819 [0,2,0,0,0,0|1,0,1]=4 14241 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011219923_100011216630 [0,2,0,0,0,0|1,0,1]=4 14242 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,2,0,0,0,0|0,0,2]=4 14243 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,2,0,0,0,0|0,0,2]=4 14244 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [0,2,0,0,0,0|1,0,0]=3 14245 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [0,2,0,0,0,0|1,0,0]=3 14246 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,2,0,0,0,0|0,0,0]=2 14247 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,2,0,0,0,0|0,0,0]=2 14248 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [0,2,0,0,0,0|1,0,0]=3 14249 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [0,2,0,0,0,0|1,0,0]=3 14250 B12R0.1 CCCC(C)CSCCCOCC 62a_100011216630_100012232248 [0,2,0,0,0,0|2,0,0]=4 14251 B12R0.1 CCCC(C)CSCCCOCC 62a_100012232248_100011216630 [0,2,0,0,0,0|2,0,0]=4 14252 B12R0.1 CCCC(C)CSCCOCCO 62a_100011215305_100011216630 [0,2,0,0,0,0|1,0,0]=3 14253 B12R0.1 CCCC(C)CSCCOCCO 62a_100011216630_100011215305 [0,2,0,0,0,0|1,0,0]=3 14254 B12R0.1 CCCC(C)CSCOCCOC 62a_100000231047_100011216630 [0,2,0,0,0,0|2,0,0]=4 14255 B12R0.1 CCCC(C)CSCOCCOC 62a_100011216630_100000231047 [0,2,0,0,0,0|2,0,0]=4 14256 B12R0.1 CCCC(C)NCCCCCC#N 2230a_100000741246_100009813376 [0,2,0,0,0,0|1,0,1]=4 14257 B12R0.1 CCCC(C)NCCCCCC#N 270004a_100000061152_100000211909 [0,2,0,0,0,0|1,0,1]=4 14258 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,2,0,0,0,0|0,0,2]=4 14259 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [0,2,0,0,0,0|1,0,0]=3 14260 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,2,0,0,0,0|0,0,0]=2 14261 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,2,0,0,0,0|0,0,0]=2 14262 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,2,0,0,0,0|0,0,0]=2 14263 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,2,0,0,0,0|0,0,0]=2 14264 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,2,0,0,0,0|1,0,0]=3 14265 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,2,0,0,0,0|1,0,0]=3 14266 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,2,0,0,0,0|1,0,0]=3 14267 B12R0.1 CCCC(C)NCCOCCOC 2230a_100000741246_100000695917 [0,2,0,0,0,0|2,0,0]=4 14268 B12R0.1 CCCC(C)NCCOCCOC 2230a_100000745349_100000766640 [0,2,0,0,0,0|2,0,0]=4 14269 B12R0.1 CCCC(C)NCCOCCOC 270004a_100000745349_100000211909 [0,2,0,0,0,0|2,0,0]=4 14270 B12R0.1 CCCC(C)NCCOCCOC 34a_100000745349_100000766640 [0,2,0,0,0,0|2,0,0]=4 14271 B12R0.1 CCCC(C)OCCCCCC#N 7a_100000764384_100009813376 [0,2,0,0,0,0|1,0,1]=4 14272 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,2,0,0,0,0|0,0,2]=4 14273 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,2,0,0,0,0|1,0,0]=3 14274 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,2,0,0,0,0|1,0,0]=3 14275 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,2,0,0,0,0|1,0,0]=3 14276 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,2,0,0,0,0|1,0,0]=3 14277 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,2,0,0,0,0|1,0,0]=3 14278 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,2,0,0,0,0|1,0,0]=3 14279 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,2,0,0,0,0|1,0,0]=3 14280 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,2,0,0,0,0|1,0,0]=3 14281 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,2,0,0,0,0|1,0,0]=3 14282 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,2,0,0,0,0|0,0,0]=2 14283 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,2,0,0,0,0|0,0,0]=2 14284 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,2,0,0,0,0|2,0,0]=4 14285 B12R0.1 CCCC(C)OCCOCCOC 34a_100000764384_100000695917 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.1 CCCC(C)OCCOCCOC 34a_100011215163_100000766640 [0,2,0,0,0,0|2,0,0]=4 14287 B12R0.1 CCCC(C)OCCOCCOC 7a_100000764384_100000695917 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.1 CCCC(C)OCCOCCOC 7a_100011215163_100000766640 [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.1 CCCC(C)SCCCCCC#N 62a_100000766640_100009813376 [0,2,0,0,0,0|1,0,1]=4 14290 B12R0.1 CCCC(C)SCCCCCC#N 62a_100009813376_100000766640 [0,2,0,0,0,0|1,0,1]=4 14291 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,2,0,0,0,0|0,0,2]=4 14292 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,2,0,0,0,0|0,0,2]=4 14293 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [0,2,0,0,0,0|1,0,0]=3 14294 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [0,2,0,0,0,0|1,0,0]=3 14295 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,2,0,0,0,0|0,0,0]=2 14296 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,2,0,0,0,0|0,0,0]=2 14297 B12R0.1 CCCC(C)SCCOCCOC 62a_100000695917_100000766640 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.1 CCCC(C)SCCOCCOC 62a_100000766640_100000695917 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.1 CCCC/C=C/COC(C)CCO 34a_200016272032_100009893172 [0,2,0,0,0,0|0,0,2]=4 14300 B12R0.1 CCCC/C=C/COC(C)CCO 7a_200016272032_100009893172 [0,2,0,0,0,0|0,0,2]=4 14301 B12R0.1 CCCCC#CCOC(C)CCO 34a_200000034558_100009893172 [0,2,0,0,0,0|0,0,2]=4 14302 B12R0.1 CCCCC#CCOC(C)CCO 7a_200000034558_100009893172 [0,2,0,0,0,0|0,0,2]=4 14303 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|0,0,2]=4 14304 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|0,0,2]=4 14305 B12R0.1 CCCCCC#CCN(C)CCO 2230a_100000210263_100009816472 [0,2,0,0,0,0|0,0,2]=4 14306 B12R0.1 CCCCCC#CCN(C)CCO 269982a_100000210263_100009816472 [0,2,0,0,0,0|0,0,2]=4 14307 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|0,0,2]=4 14308 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|1,0,1]=4 14309 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|1,0,1]=4 14310 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,0]=3 14311 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,0]=3 14312 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|1,0,0]=3 14313 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|0,0,0]=2 14314 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|0,0,0]=2 14315 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,1]=3 14316 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|0,1,1]=4 14317 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|1,0,1]=4 14318 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|1,0,1]=4 14319 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|1,0,1]=4 14320 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,2,0,0,0,0|1,0,0]=3 14321 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,2,0,0,0,0|0,0,0]=2 14322 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,2,0,0,0,0|0,0,0]=2 14323 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,2,0,0,0,0|0,0,0]=2 14324 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,2,0,0,0,0|0,0,0]=2 14325 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,2,0,0,0,0|1,0,0]=3 14326 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,0]=3 14327 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,0]=3 14328 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,2,0,0,0,0|1,0,0]=3 14329 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,2,0,0,0,0|1,0,0]=3 14330 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000207567_100011215382 [0,2,0,0,0,0|1,0,1]=4 14331 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000748184_100000210759 [0,2,0,0,0,0|1,0,1]=4 14332 B12R0.1 CCCCCCCCN(C)CC#N 269982a_100000207567_100011214920 [0,2,0,0,0,0|1,0,1]=4 14333 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,2,0,0,0,0|0,0,2]=4 14334 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,2,0,0,0,0|0,0,2]=4 14335 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,2,0,0,0,0|1,0,0]=3 14336 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,2,0,0,0,0|1,0,0]=3 14337 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,2,0,0,0,0|1,0,0]=3 14338 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,2,0,0,0,0|1,0,0]=3 14339 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,2,0,0,0,0|1,0,0]=3 14340 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,2,0,0,0,0|1,0,0]=3 14341 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,2,0,0,0,0|0,0,0]=2 14342 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,2,0,0,0,0|0,0,0]=2 14343 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,2,0,0,0,0|0,0,0]=2 14344 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,2,0,0,0,0|0,0,0]=2 14345 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,2,0,0,0,0|1,0,0]=3 14346 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,2,0,0,0,0|1,0,0]=3 14347 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,2,0,0,0,0|1,1,0]=4 14348 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,2,0,0,0,0|1,1,0]=4 14349 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 14350 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 14351 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 14352 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 14353 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|0,0,1]=3 14354 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 14355 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 14356 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 14357 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 14358 B12R0.1 CCCCCCCNC(C)CC#N 2230a_100000229938_100009813641 [0,2,0,0,0,0|1,0,1]=4 14359 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,2,0,0,0,0|1,0,0]=3 14360 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,2,0,0,0,0|1,0,0]=3 14361 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,2,0,0,0,0|1,0,0]=3 14362 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,2,0,0,0,0|0,0,0]=2 14363 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,2,0,0,0,0|1,0,0]=3 14364 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,2,0,0,0,0|1,0,0]=3 14365 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,2,0,0,0,0|1,1,0]=4 14366 B12R0.1 CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210681 [0,2,0,0,0,0|1,0,1]=4 14367 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,2,0,0,0,0|0,0,0]=2 14368 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,2,0,0,0,0|0,0,0]=2 14369 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,2,0,0,0,0|1,0,0]=3 14370 B12R0.1 CCCCCCCOC(C)CC#N 7a_100000210272_100009813641 [0,2,0,0,0,0|1,0,1]=4 14371 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,2,0,0,0,0|1,0,0]=3 14372 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,2,0,0,0,0|1,0,0]=3 14373 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,2,0,0,0,0|1,0,0]=3 14374 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,2,0,0,0,0|1,0,0]=3 14375 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,2,0,0,0,0|1,0,0]=3 14376 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,2,0,0,0,0|0,0,0]=2 14377 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,2,0,0,0,0|0,0,0]=2 14378 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,2,0,0,0,0|1,0,0]=3 14379 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,2,0,0,0,0|1,0,0]=3 14380 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,2,0,0,0,0|1,0,0]=3 14381 B12R0.1 CCCCCCCSC(C)CC#N 62a_100000210614_100009813641 [0,2,0,0,0,0|1,0,1]=4 14382 B12R0.1 CCCCCCCSC(C)CC#N 62a_100009813641_100000210316 [0,2,0,0,0,0|1,0,1]=4 14383 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,2,0,0,0,0|1,0,0]=3 14384 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,2,0,0,0,0|1,0,0]=3 14385 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,2,0,0,0,0|0,0,0]=2 14386 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,2,0,0,0,0|0,0,0]=2 14387 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,2,0,0,0,0|1,0,0]=3 14388 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,2,0,0,0,0|1,0,0]=3 14389 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|1,0,1]=4 14390 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|1,0,1]=4 14391 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,2,0,0,0,0|1,0,0]=3 14392 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,2,0,0,0,0|1,0,0]=3 14393 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,2,0,0,0,0|1,0,0]=3 14394 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|1,0,0]=3 14395 B12R0.1 CCCCCCNC[C@@H](O)CC#N 2230a_100000210581_100000001066 [0,2,0,0,0,0|1,0,1]=4 14396 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|1,0,1]=4 14397 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|1,0,1]=4 14398 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|1,0,1]=4 14399 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,2,0,0,0,0|1,0,0]=3 14400 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,2,0,0,0,0|1,0,0]=3 14401 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,2,0,0,0,0|1,0,0]=3 14402 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,2,0,0,0,0|1,0,0]=3 14403 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,2,0,0,0,0|1,0,0]=3 14404 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,2,0,0,0,0|1,0,0]=3 14405 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,2,0,0,0,0|1,0,0]=3 14406 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,2,0,0,0,0|1,0,0]=3 14407 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|1,0,0]=3 14408 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,2,0,0,0,0|1,0,1]=4 14409 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|1,0,1]=4 14410 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|1,0,1]=4 14411 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|1,0,1]=4 14412 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|1,0,1]=4 14413 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,2,0,0,0,0|1,0,0]=3 14414 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,2,0,0,0,0|1,0,0]=3 14415 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,2,0,0,0,0|1,0,0]=3 14416 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,2,0,0,0,0|1,0,0]=3 14417 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210757 [0,2,0,0,0,0|1,0,1]=4 14418 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000210314_100000001066 [0,2,0,0,0,0|1,0,1]=4 14419 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,2,0,0,0,0|1,0,0]=3 14420 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,2,0,0,0,0|1,0,0]=3 14421 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,2,0,0,0,0|1,0,0]=3 14422 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,2,0,0,0,0|1,0,0]=3 14423 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,2,0,0,0,0|1,0,0]=3 14424 B12R0.1 CCCCOCCNC(C)CCC 2230a_100000741246_100000743108 [0,2,0,0,0,0|2,0,0]=4 14425 B12R0.1 CCCCOCCN[C@H](C)CCO 2230a_100000706166_100000743108 [0,2,0,0,0,0|1,0,0]=3 14426 B12R0.1 CCCCOCCN[C@H](C)CCO 34a_100000706166_100000743108 [0,2,0,0,0,0|1,0,0]=3 14427 B12R0.1 CCCCOCCN[C@H](C)COC 2230a_100000764878_100000743108 [0,2,0,0,0,0|2,0,0]=4 14428 B12R0.1 CCCCOCCOC(C)CCBr 34a_100012276601_100000743108 [0,2,0,0,0,0|2,0,0]=4 14429 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,2,0,0,0,0|2,0,0]=4 14430 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,2,0,0,0,0|2,0,0]=4 14431 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,2,0,0,0,0|2,0,0]=4 14432 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,2,0,0,0,0|2,0,0]=4 14433 B12R0.1 CCCCOCCOC(C)CCO 34a_100000210238_100009893172 [0,2,0,0,0,0|1,0,0]=3 14434 B12R0.1 CCCCOCCOC(C)CCO 7a_100000210238_100009893172 [0,2,0,0,0,0|1,0,0]=3 14435 B12R0.1 CCCCOCCOC(C)COC 34a_100000210238_100000765312 [0,2,0,0,0,0|2,0,0]=4 14436 B12R0.1 CCCCOCCOC(C)COC 7a_100000210238_100000765312 [0,2,0,0,0,0|2,0,0]=4 14437 B12R0.1 CCCCOCCO[C@H](C)COC 34a_100011934205_100000743108 [0,2,0,0,0,0|2,0,0]=4 14438 B12R0.1 CCCCOCCSC(C)CCC 62a_100000743108_100000766640 [0,2,0,0,0,0|2,0,0]=4 14439 B12R0.1 CCCCOCCSC(C)CCC 62a_100000766640_100000743108 [0,2,0,0,0,0|2,0,0]=4 14440 B12R0.1 CCCCOCCSC(C)CCO 62a_100000743108_100009893172 [0,2,0,0,0,0|1,0,0]=3 14441 B12R0.1 CCCCOCCSC(C)CCO 62a_100009893172_100000743108 [0,2,0,0,0,0|1,0,0]=3 14442 B12R0.1 CCCCOCCSC(C)COC 62a_100000743108_100000765312 [0,2,0,0,0,0|2,0,0]=4 14443 B12R0.1 CCCCOCCSC(C)COC 62a_100000765312_100000743108 [0,2,0,0,0,0|2,0,0]=4 14444 B12R0.1 CCCCOCNCC(O)COC 2230a_100000756049_100011995733 [0,2,0,0,0,0|2,0,0]=4 14445 B12R0.1 CCCCOCNCC(O)COC 34a_100000756049_100011995733 [0,2,0,0,0,0|2,0,0]=4 14446 B12R0.1 CCCCOCOCC(C)CCC 34a_100000688023_100011995733 [0,2,0,0,0,0|2,0,0]=4 14447 B12R0.1 CCCCOCOCC(C)CCN 34a_106354213184_100011995733 [0,2,0,0,0,0|2,0,0]=4 14448 B12R0.1 CCCCOCOCC(N)COC 34a_100000724102_100011995733 [0,2,0,0,0,0|2,0,0]=4 14449 B12R0.1 CCCCOCOC[C@@H](N)CCC 34a_100000732646_100011995733 [0,2,0,0,0,0|2,0,0]=4 14450 B12R0.1 CCCCOCSCC(C)CCC 62a_100011216630_100011995733 [0,2,0,0,0,0|2,0,0]=4 14451 B12R0.1 CCCCOCSCC(C)CCC 62a_100011995733_100011216630 [0,2,0,0,0,0|2,0,0]=4 14452 B12R0.1 CCCCOCSCC(O)COC 62a_100011215053_100011995733 [0,2,0,0,0,0|2,0,0]=4 14453 B12R0.1 CCCCOCSCC(O)COC 62a_100011995733_100011215053 [0,2,0,0,0,0|2,0,0]=4 14454 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|1,0,1]=4 14455 B12R0.1 CCCCSCCNC(C)CCC 2230a_100025743550_100000766640 [0,2,0,0,0,0|2,0,0]=4 14456 B12R0.1 CCCCSCCNC(C)CCC 270004a_100025743550_100000211909 [0,2,0,0,0,0|2,0,0]=4 14457 B12R0.1 CCCCSCCNC(C)CCO 2230a_100025743550_100009893172 [0,2,0,0,0,0|1,0,0]=3 14458 B12R0.1 CCCCSCCNC(C)COC 2230a_100025743550_100000765312 [0,2,0,0,0,0|2,0,0]=4 14459 B12R0.1 CCCCSCCNC(C)COC 270004a_100025743550_100000749346 [0,2,0,0,0,0|2,0,0]=4 14460 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,2,0,0,0,0|2,0,0]=4 14461 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,2,0,0,0,0|2,0,0]=4 14462 B12R0.1 CCCCSCCOC(C)CCO 34a_200000230436_100009893172 [0,2,0,0,0,0|1,0,0]=3 14463 B12R0.1 CCCCSCCOC(C)CCO 7a_200000230436_100009893172 [0,2,0,0,0,0|1,0,0]=3 14464 B12R0.1 CCCCSCCOC(C)COC 34a_200000230436_100000765312 [0,2,0,0,0,0|2,0,0]=4 14465 B12R0.1 CCCCSCCOC(C)COC 7a_200000230436_100000765312 [0,2,0,0,0,0|2,0,0]=4 14466 B12R0.1 CCCN(C)CCCCCCC#N 2230a_100000747261_100009813337 [0,2,0,0,0,0|1,0,1]=4 14467 B12R0.1 CCCN(C)CCCCCCC#N 269982a_100000747261_100009813337 [0,2,0,0,0,0|1,0,1]=4 14468 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,2,0,0,0,0|0,0,0]=2 14469 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,2,0,0,0,0|0,0,0]=2 14470 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,2,0,0,0,0|1,0,0]=3 14471 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,2,0,0,0,0|1,0,0]=3 14472 B12R0.1 CCCN(C)CCCOCCOC 2230a_100000747261_100011216529 [0,2,0,0,0,0|2,0,0]=4 14473 B12R0.1 CCCN(C)CCCOCCOC 269982a_100000747261_100011216529 [0,2,0,0,0,0|2,0,0]=4 14474 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|1,0,1]=4 14475 B12R0.1 CCCOCCCNC(C)CCC 2230a_100011217757_100000766640 [0,2,0,0,0,0|2,0,0]=4 14476 B12R0.1 CCCOCCCNC(C)CCC 270004a_100011217757_100000211909 [0,2,0,0,0,0|2,0,0]=4 14477 B12R0.1 CCCOCCCNC(C)CCC 34a_100011217757_100000766640 [0,2,0,0,0,0|2,0,0]=4 14478 B12R0.1 CCCOCCCNC(C)CCO 2230a_100011217757_100009893172 [0,2,0,0,0,0|1,0,0]=3 14479 B12R0.1 CCCOCCCNC(C)CCO 34a_100011217757_100009893172 [0,2,0,0,0,0|1,0,0]=3 14480 B12R0.1 CCCOCCCNC(C)COC 2230a_100011217757_100000765312 [0,2,0,0,0,0|2,0,0]=4 14481 B12R0.1 CCCOCCCNC(C)COC 270004a_100011217757_100000749346 [0,2,0,0,0,0|2,0,0]=4 14482 B12R0.1 CCCOCCCNC(C)COC 34a_100011217757_100000765312 [0,2,0,0,0,0|2,0,0]=4 14483 B12R0.1 CCCOCCNCC(C)CCC 2230a_100161115042_100011216630 [0,2,0,0,0,0|2,0,0]=4 14484 B12R0.1 CCCOCCNCC(C)CCC 270004a_100161115042_100000243154 [0,2,0,0,0,0|2,0,0]=4 14485 B12R0.1 CCCOCCNCC(C)CCC 34a_100161115042_100011216630 [0,2,0,0,0,0|2,0,0]=4 14486 B12R0.1 CCCOCCNCC(O)COC 2230a_100000756049_100011215938 [0,2,0,0,0,0|2,0,0]=4 14487 B12R0.1 CCCOCCNCC(O)COC 34a_100000756049_100011215938 [0,2,0,0,0,0|2,0,0]=4 14488 B12R0.1 CCCOCCNCC(O)COC 34a_100161115042_100011215053 [0,2,0,0,0,0|2,0,0]=4 14489 B12R0.1 CCCOCCOCC(C)CCC 34a_100000688023_100011215938 [0,2,0,0,0,0|2,0,0]=4 14490 B12R0.1 CCCOCCOCC(C)CCC 34a_100000752267_100011216630 [0,2,0,0,0,0|2,0,0]=4 14491 B12R0.1 CCCOCCOCC(C)CCC 7a_100000688023_100011215938 [0,2,0,0,0,0|2,0,0]=4 14492 B12R0.1 CCCOCCOCC(C)CCC 7a_100000752267_100011216630 [0,2,0,0,0,0|2,0,0]=4 14493 B12R0.1 CCCOCCOCC(C)CCN 34a_106354213184_100011215938 [0,2,0,0,0,0|2,0,0]=4 14494 B12R0.1 CCCOCCOCC(N)COC 34a_100000724102_100011215938 [0,2,0,0,0,0|2,0,0]=4 14495 B12R0.1 CCCOCCOCC(O)COC 34a_100000752267_100011215053 [0,2,0,0,0,0|2,0,0]=4 14496 B12R0.1 CCCOCCOCC(O)COC 7a_100000752267_100011215053 [0,2,0,0,0,0|2,0,0]=4 14497 B12R0.1 CCCOCCOC[C@@H](N)CCC 34a_100000732646_100011215938 [0,2,0,0,0,0|2,0,0]=4 14498 B12R0.1 CCCOCCSCC(C)CCC 62a_100011215938_100011216630 [0,2,0,0,0,0|2,0,0]=4 14499 B12R0.1 CCCOCCSCC(C)CCC 62a_100011216630_100011215938 [0,2,0,0,0,0|2,0,0]=4 14500 B12R0.1 CCCOCCSCC(O)COC 62a_100011215053_100011215938 [0,2,0,0,0,0|2,0,0]=4 14501 B12R0.1 CCCOCCSCC(O)COC 62a_100011215938_100011215053 [0,2,0,0,0,0|2,0,0]=4 14502 B12R0.1 CCCSCCNCC(C)CCC 2230a_100020603323_100011216630 [0,2,0,0,0,0|2,0,0]=4 14503 B12R0.1 CCCSCCNCC(C)CCC 270004a_100020603323_100000243154 [0,2,0,0,0,0|2,0,0]=4 14504 B12R0.1 CCCSCCOCC(C)CCC 34a_200000230433_100011216630 [0,2,0,0,0,0|2,0,0]=4 14505 B12R0.1 CCCSCCOCC(C)CCC 7a_200000230433_100011216630 [0,2,0,0,0,0|2,0,0]=4 14506 B12R0.1 CCCSCCOCC(O)COC 34a_200000230433_100011215053 [0,2,0,0,0,0|2,0,0]=4 14507 B12R0.1 CCCSCCOCC(O)COC 7a_200000230433_100011215053 [0,2,0,0,0,0|2,0,0]=4 14508 B12R0.1 CCC[C@H](N)CCOCC#CCO 34a_100015193777_200000047223 [0,2,0,0,0,0|0,0,2]=4 14509 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,2,0,0,0,0|0,0,0]=2 14511 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [0,2,0,0,0,0|1,0,0]=3 14512 B12R0.1 CCC[C@H](N)CCOCCOCC 34a_100015193777_100000210147 [0,2,0,0,0,0|2,0,0]=4 14513 B12R0.1 CCC[C@H](N)CCOCCSCC 34a_100015193777_100000757381 [0,2,0,0,0,0|2,0,0]=4 14514 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,2,0,0,0,0|1,0,0]=3 14515 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,2,0,0,0,0|0,0,0]=2 14516 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,2,0,0,0,0|1,0,0]=3 14517 B12R0.1 CCC[C@H](N)COCCCOCC 34a_100000732646_100012232248 [0,2,0,0,0,0|2,0,0]=4 14518 B12R0.1 CCC[C@H](N)COCCOCCO 34a_100000732646_100000692535 [0,2,0,0,0,0|1,0,0]=3 14519 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|0,0,1]=3 14520 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,2,0,0,0,0|1,0,1]=4 14521 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,2,0,0,0,0|1,0,1]=4 14522 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,2,0,0,0,0|1,0,1]=4 14523 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,2,0,0,0,0|1,0,1]=4 14524 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,2,0,0,0,0|1,0,1]=4 14525 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,2,0,0,0,0|1,0,1]=4 14526 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,2,0,0,0,0|1,0,1]=4 14527 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,2,0,0,0,0|1,0,1]=4 14528 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,2,0,0,0,0|1,0,1]=4 14529 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|1,0,1]=4 14530 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|1,0,1]=4 14531 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|1,0,1]=4 14532 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|1,0,1]=4 14533 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|1,0,1]=4 14534 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|1,0,1]=4 14535 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,2,0,0,0,0|1,0,1]=4 14536 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,2,0,0,0,0|1,0,1]=4 14537 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,2,0,0,0,0|1,0,1]=4 14538 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,2,0,0,0,0|1,0,1]=4 14539 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,2,0,0,0,0|1,0,1]=4 14540 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,2,0,0,0,0|1,0,1]=4 14541 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,2,0,0,0,0|1,0,1]=4 14542 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,2,0,0,0,0|1,0,1]=4 14543 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,2,0,0,0,0|1,0,1]=4 14544 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,2,0,0,0,0|1,0,1]=4 14545 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,2,0,0,0,0|1,0,1]=4 14546 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|1,0,1]=4 14547 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,1]=4 14548 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|1,0,1]=4 14549 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|1,0,1]=4 14550 B12R0.1 CCOCCCNCC(O)COC 2230a_100000756049_100012232248 [0,2,0,0,0,0|2,0,0]=4 14551 B12R0.1 CCOCCCNCC(O)COC 34a_100000210961_100011215053 [0,2,0,0,0,0|2,0,0]=4 14552 B12R0.1 CCOCCCNCC(O)COC 34a_100000756049_100012232248 [0,2,0,0,0,0|2,0,0]=4 14553 B12R0.1 CCOCCCOCC(C)CCN 34a_106354213184_100012232248 [0,2,0,0,0,0|2,0,0]=4 14554 B12R0.1 CCOCCCOCC(N)COC 34a_100000724102_100012232248 [0,2,0,0,0,0|2,0,0]=4 14555 B12R0.1 CCOCCCOCC(O)COC 34a_100000757476_100011215053 [0,2,0,0,0,0|2,0,0]=4 14556 B12R0.1 CCOCCCOCC(O)COC 7a_100000757476_100011215053 [0,2,0,0,0,0|2,0,0]=4 14557 B12R0.1 CCOCCCSCC(O)COC 62a_100011215053_100012232248 [0,2,0,0,0,0|2,0,0]=4 14558 B12R0.1 CCOCCCSCC(O)COC 62a_100012232248_100011215053 [0,2,0,0,0,0|2,0,0]=4 14559 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|1,0,1]=4 14560 B12R0.1 CCOCCOCCN(C)CCO 2230a_100000210263_100011211534 [0,2,0,0,0,0|2,0,0]=4 14561 B12R0.1 CCOCCOCCN(C)CCO 269982a_100000210263_100011211534 [0,2,0,0,0,0|2,0,0]=4 14562 B12R0.1 CCSCCCOCC(O)COC 34a_100011216438_100011215053 [0,2,0,0,0,0|2,0,0]=4 14563 B12R0.1 CCSCCCOCC(O)COC 7a_100011216438_100011215053 [0,2,0,0,0,0|2,0,0]=4 14564 B12R0.1 CN(CC#N)CCCCCCCO 2230a_100000748184_100000760002 [0,2,0,0,0,0|1,0,1]=4 14565 B12R0.1 CN(CCO)CCCCCCC#N 2230a_100000210263_100009813337 [0,2,0,0,0,0|1,0,1]=4 14566 B12R0.1 CN(CCO)CCCCCCC#N 269982a_100000210263_100009813337 [0,2,0,0,0,0|1,0,1]=4 14567 B12R0.1 CN(CCO)CCCCCCCO 2230a_100000210263_100000760002 [0,2,0,0,0,0|1,0,0]=3 14568 B12R0.1 CN(CCO)CCCCCCCO 269982a_100000210263_100000760002 [0,2,0,0,0,0|1,0,0]=3 14569 B12R0.1 CNCCCCCOC(C)CCO 34a_100000722520_100009893172 [0,2,0,0,0,0|1,0,0]=3 14570 B12R0.1 CNCCCCCOC(C)COC 34a_100000722520_100000765312 [0,2,0,0,0,0|2,0,0]=4 14571 B12R0.1 CNCCOCCOC(C)CCO 34a_100000228057_100009893172 [0,2,0,0,0,0|2,0,0]=4 14572 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|1,0,1]=4 14573 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|0,0,1]=3 14574 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|1,0,1]=4 14575 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|1,0,1]=4 14576 B12R0.1 COCC(C)NCCCCCCO 2230a_100000686447_100000765312 [0,2,0,0,0,0|1,0,0]=3 14577 B12R0.1 COCC(C)NCCCCCCO 270004a_100000686447_100000749346 [0,2,0,0,0,0|1,0,0]=3 14578 B12R0.1 COCC(C)NCCCCCCO 34a_100000686447_100000765312 [0,2,0,0,0,0|1,0,0]=3 14579 B12R0.1 COCC(C)OCCCCCCBr 34a_100011215345_100000765312 [0,2,0,0,0,0|2,0,0]=4 14580 B12R0.1 COCC(C)OCCCCCCBr 7a_100011215345_100000765312 [0,2,0,0,0,0|2,0,0]=4 14581 B12R0.1 COCC(C)OCCCCCCCl 34a_100000766143_100000765312 [0,2,0,0,0,0|2,0,0]=4 14582 B12R0.1 COCC(C)OCCCCCCCl 7a_100000766143_100000765312 [0,2,0,0,0,0|2,0,0]=4 14583 B12R0.1 COCC(C)OCCCCCCF 34a_100000732779_100000765312 [0,2,0,0,0,0|2,0,0]=4 14584 B12R0.1 COCC(C)OCCCCCCF 7a_100000732779_100000765312 [0,2,0,0,0,0|2,0,0]=4 14585 B12R0.1 COCC(C)OCCCCCCN 34a_100000686447_100000765312 [0,2,0,0,0,0|2,0,0]=4 14586 B12R0.1 COCC(C)SCCCCCCF 62a_100000765312_100015922095 [0,2,0,0,0,0|2,0,0]=4 14587 B12R0.1 COCC(C)SCCCCCCF 62a_100015922095_100000765312 [0,2,0,0,0,0|2,0,0]=4 14588 B12R0.1 COCC(C)SCCCCCCO 62a_100000765312_100000766143 [0,2,0,0,0,0|1,0,0]=3 14589 B12R0.1 COCC(C)SCCCCCCO 62a_100000766143_100000765312 [0,2,0,0,0,0|1,0,0]=3 14590 B12R0.1 COCC(N)COCCCCCF 34a_100000724102_100000729378 [0,2,0,0,0,0|2,0,0]=4 14591 B12R0.1 COCC(N)COCCCCCO 34a_100000724102_100000746330 [0,2,0,0,0,0|1,0,0]=3 14592 B12R0.1 COCC(N)COCCOCCO 34a_100000724102_100000692535 [0,2,0,0,0,0|2,0,0]=4 14593 B12R0.1 COCC(O)CNCCCCCF 2230a_100000756049_100000729378 [0,2,0,0,0,0|2,0,0]=4 14594 B12R0.1 COCC(O)CNCCCCCF 34a_100000756049_100000729378 [0,2,0,0,0,0|2,0,0]=4 14595 B12R0.1 COCC(O)CNCCCCCO 2230a_100000756049_100000746330 [0,2,0,0,0,0|1,0,0]=3 14596 B12R0.1 COCC(O)CNCCCCCO 34a_100000756049_100000746330 [0,2,0,0,0,0|1,0,0]=3 14597 B12R0.1 COCC(O)CNCCCCCO 34a_100000762737_100011215053 [0,2,0,0,0,0|1,0,0]=3 14598 B12R0.1 COCC(O)CNCCOCCO 2230a_100000756049_100011215305 [0,2,0,0,0,0|2,0,0]=4 14599 B12R0.1 COCC(O)CNCCOCCO 34a_100000211614_100011215053 [0,2,0,0,0,0|2,0,0]=4 14600 B12R0.1 COCC(O)CNCCOCCO 34a_100000756049_100000692535 [0,2,0,0,0,0|2,0,0]=4 14601 B12R0.1 COCC(O)COCCCCCBr 34a_100000746331_100011215053 [0,2,0,0,0,0|2,0,0]=4 14602 B12R0.1 COCC(O)COCCCCCBr 7a_100000746331_100011215053 [0,2,0,0,0,0|2,0,0]=4 14603 B12R0.1 COCC(O)COCCCCCCl 34a_100000746330_100011215053 [0,2,0,0,0,0|2,0,0]=4 14604 B12R0.1 COCC(O)COCCCCCCl 7a_100000746330_100011215053 [0,2,0,0,0,0|2,0,0]=4 14605 B12R0.1 COCC(O)COCCCCCI 34a_200012148887_100011215053 [0,2,0,0,0,0|2,0,0]=4 14606 B12R0.1 COCC(O)COCCCCCI 7a_200012148887_100011215053 [0,2,0,0,0,0|2,0,0]=4 14607 B12R0.1 COCC(O)COCCCCCN 34a_100000762737_100011215053 [0,2,0,0,0,0|2,0,0]=4 14608 B12R0.1 COCC(O)COCCCCSC 34a_100011217163_100011215053 [0,2,0,0,0,0|2,0,0]=4 14609 B12R0.1 COCC(O)COCCCCSC 7a_100011217163_100011215053 [0,2,0,0,0,0|2,0,0]=4 14610 B12R0.1 COCC(O)CSCCCCCF 62a_100000729378_100011215053 [0,2,0,0,0,0|2,0,0]=4 14611 B12R0.1 COCC(O)CSCCCCCF 62a_100011215053_100000729378 [0,2,0,0,0,0|2,0,0]=4 14612 B12R0.1 COCC(O)CSCCCCCO 62a_100000746330_100011215053 [0,2,0,0,0,0|1,0,0]=3 14613 B12R0.1 COCC(O)CSCCCCCO 62a_100011215053_100000746330 [0,2,0,0,0,0|1,0,0]=3 14614 B12R0.1 COCC(O)CSCCOCCO 62a_100011215053_100011215305 [0,2,0,0,0,0|2,0,0]=4 14615 B12R0.1 COCC(O)CSCCOCCO 62a_100011215305_100011215053 [0,2,0,0,0,0|2,0,0]=4 14616 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|0,0,1]=3 14617 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|1,0,1]=4 14618 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|1,0,1]=4 14619 B12R0.1 COCCCCCCN(C)CCO 2230a_100000210263_100011998445 [0,2,0,0,0,0|1,0,0]=3 14620 B12R0.1 COCCCCCCN(C)CCO 269982a_100000210263_100011998445 [0,2,0,0,0,0|1,0,0]=3 14621 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|1,0,1]=4 14622 B12R0.1 COCCCCCNC(C)CCO 2230a_100000747528_100009893172 [0,2,0,0,0,0|1,0,0]=3 14623 B12R0.1 COCCCCCNC(C)CCO 34a_100000747528_100009893172 [0,2,0,0,0,0|1,0,0]=3 14624 B12R0.1 COCCCCCNC(C)COC 2230a_100000747528_100000765312 [0,2,0,0,0,0|2,0,0]=4 14625 B12R0.1 COCCCCCNC(C)COC 270004a_100000747528_100000749346 [0,2,0,0,0,0|2,0,0]=4 14626 B12R0.1 COCCCCCNC(C)COC 34a_100000747528_100000765312 [0,2,0,0,0,0|2,0,0]=4 14627 B12R0.1 COCCCCCNC(C)CSC 270004a_100000747528_100011216314 [0,2,0,0,0,0|2,0,0]=4 14628 B12R0.1 COCCCCNCC(O)COC 2230a_100000756049_100000730899 [0,2,0,0,0,0|2,0,0]=4 14629 B12R0.1 COCCCCNCC(O)COC 34a_100000756049_100000755781 [0,2,0,0,0,0|2,0,0]=4 14630 B12R0.1 COCCCCOCC(C)CCN 34a_106354213184_100000755781 [0,2,0,0,0,0|2,0,0]=4 14631 B12R0.1 COCCCCOCC(N)COC 34a_100000724102_100000755781 [0,2,0,0,0,0|2,0,0]=4 14632 B12R0.1 COCCCCOCC(O)COC 34a_100000740925_100011215053 [0,2,0,0,0,0|2,0,0]=4 14633 B12R0.1 COCCCCSCC(O)COC 62a_100000730899_100011215053 [0,2,0,0,0,0|2,0,0]=4 14634 B12R0.1 COCCCCSCC(O)COC 62a_100011215053_100000730899 [0,2,0,0,0,0|2,0,0]=4 14635 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|1,0,1]=4 14636 B12R0.1 COCCOCCCN(C)CCO 2230a_100000210263_100011216529 [0,2,0,0,0,0|2,0,0]=4 14637 B12R0.1 COCCOCCCN(C)CCO 269982a_100000210263_100011216529 [0,2,0,0,0,0|2,0,0]=4 14638 B12R0.1 COCCOCCNC(C)CCO 2230a_100000745349_100009893172 [0,2,0,0,0,0|2,0,0]=4 14639 B12R0.1 COCCOCCNC(C)CCO 34a_100000745349_100009893172 [0,2,0,0,0,0|2,0,0]=4 14640 B12R0.1 COCCOCCN[C@H](C)CCO 2230a_100000706166_100000695917 [0,2,0,0,0,0|2,0,0]=4 14641 B12R0.1 COCCOCCN[C@H](C)CCO 34a_100000706166_100000695917 [0,2,0,0,0,0|2,0,0]=4 14642 B12R0.1 COCCOCCOC(C)CCO 34a_100011215163_100009893172 [0,2,0,0,0,0|2,0,0]=4 14643 B12R0.1 COCCOCCOC(C)CCO 7a_100011215163_100009893172 [0,2,0,0,0,0|2,0,0]=4 14644 B12R0.1 COCCOCCSC(C)CCO 62a_100000695917_100009893172 [0,2,0,0,0,0|2,0,0]=4 14645 B12R0.1 COCCOCCSC(C)CCO 62a_100009893172_100000695917 [0,2,0,0,0,0|2,0,0]=4 14646 B12R0.1 COC[C@@H](C)NCCCCCCF 2230a_100000764878_100015922095 [0,2,0,0,0,0|2,0,0]=4 14647 B12R0.1 COC[C@@H](C)NCCCCCCO 2230a_100000764878_100000766143 [0,2,0,0,0,0|1,0,0]=3 14648 B12R0.1 COC[C@@H](C)OCCCCCCF 34a_100011934205_100015922095 [0,2,0,0,0,0|2,0,0]=4 14649 B12R0.1 COC[C@@H](C)OCCCCCCO 34a_100011934205_100000766143 [0,2,0,0,0,0|1,0,0]=3 14650 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|0,0,1]=3 14651 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,2,0,0,0,0|1,0,1]=4 14652 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,2,0,0,0,0|1,0,1]=4 14653 B12R0.1 CSCC(C)NCCCCCCO 270004a_100000686447_100011216314 [0,2,0,0,0,0|1,0,0]=3 14654 B12R0.1 C[C@@H](CC#N)NCCCCCCO 2230a_100016994482_100000766143 [0,2,0,0,0,0|1,0,1]=4 14655 B12R0.1 C[C@H](CCO)NCCCCCC#N 2230a_100000706166_100009813376 [0,2,0,0,0,0|1,0,1]=4 14656 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [0,2,0,0,0,0|1,0,1]=4 14657 B12R0.1 C[C@H](CCO)NCCCCCCF 2230a_100000706166_100015922095 [0,2,0,0,0,0|1,0,0]=3 14658 B12R0.1 C[C@H](CCO)NCCCCCCF 34a_100000706166_100015922095 [0,2,0,0,0,0|1,0,0]=3 14659 B12R0.1 C[C@H](CCO)NCCCCCCO 2230a_100000706166_100000766143 [0,2,0,0,0,0|1,0,0]=3 14660 B12R0.1 C[C@H](CCO)NCCCCCCO 34a_100000706166_100000766143 [0,2,0,0,0,0|1,0,0]=3 14661 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,2,0,0,0,0|0,0,2]=4 14662 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,2,0,0,0,0|0,0,2]=4 14663 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|0,0,2]=4 14664 B12R0.1 N#CC[C@H](O)CNCCCCCO 2230a_100000762737_100000001066 [0,2,0,0,0,0|1,0,1]=4 14665 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000001066_100000746330 [0,2,0,0,0,0|1,0,1]=4 14666 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000746330_100000001066 [0,2,0,0,0,0|1,0,1]=4 14667 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|0,0,1]=3 14668 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|0,0,1]=3 14669 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|0,0,1]=3 14670 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|1,0,1]=4 14671 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,2,0,0,0,0|0,0,1]=3 14672 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,2,0,0,0,0|0,0,1]=3 14673 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,2,0,0,0,0|0,0,1]=3 14674 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,2,0,0,0,0|0,0,1]=3 14675 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,2,0,0,0,0|1,0,0]=3 14676 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,2,0,0,0,0|1,0,0]=3 14677 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,2,0,0,0,0|0,0,2]=4 14678 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,2,0,0,0,0|0,0,2]=4 14679 B12R0.5 C#CCCCCCCCNCCF 34a_100000724931_100153394163 [0,2,0,0,0,0|1,0,1]=4 14680 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,2,0,0,0,0|0,0,1]=3 14681 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,2,0,0,0,0|0,0,1]=3 14682 B12R0.5 C#CCCCCCCCOCCBr 34a_100000211926_100153394163 [0,2,0,0,0,0|1,0,1]=4 14683 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,2,0,0,0,0|1,0,0]=3 14684 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,2,0,0,0,0|1,0,0]=3 14685 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,2,0,0,0,0|1,0,0]=3 14686 B12R0.5 C#CCCCCCCCOCCF 34a_100000054614_100011217306 [0,2,0,0,0,0|1,0,1]=4 14687 B12R0.5 C#CCCCCCCCOCCF 7a_100000054614_100011217306 [0,2,0,0,0,0|1,0,1]=4 14688 B12R0.5 C#CCCCCCCCOCCN 34a_100000210304_100153394163 [0,2,0,0,0,0|1,0,1]=4 14689 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,2,0,0,0,0|0,0,1]=3 14690 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,2,0,0,0,0|0,0,1]=3 14691 B12R0.5 C#CCCCCCCCOCSC 34a_100000054614_100011218213 [0,2,0,0,0,0|1,0,1]=4 14692 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,2,0,0,0,0|1,0,0]=3 14693 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,2,0,0,0,0|1,0,0]=3 14694 B12R0.5 C#CCCCCCCCSCCF 62a_100011217306_100153394163 [0,2,0,0,0,0|1,0,1]=4 14695 B12R0.5 C#CCCCCCCCSCCF 62a_100153394163_100011217306 [0,2,0,0,0,0|1,0,1]=4 14696 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,2,0,0,0,0|0,0,1]=3 14697 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,2,0,0,0,0|0,0,1]=3 14698 B12R0.5 C#CCCCCCCCSCOC 62a_100000766300_100153394163 [0,2,0,0,0,0|0,0,2]=4 14699 B12R0.5 C#CCCCCCCCSCOC 62a_100153394163_100000766300 [0,2,0,0,0,0|0,0,2]=4 14700 B12R0.5 C#CCCCCCCCSCSC 62a_100011218213_100153394163 [0,2,0,0,0,0|1,0,1]=4 14701 B12R0.5 C#CCCCCCCCSCSC 62a_100153394163_100011218213 [0,2,0,0,0,0|1,0,1]=4 14702 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,2,0,0,0,0|1,0,0]=3 14703 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,2,0,0,0,0|1,0,0]=3 14704 B12R0.5 C#CCCCCCCNCCCF 2230a_100015189416_100012276617 [0,2,0,0,0,0|1,0,1]=4 14705 B12R0.5 C#CCCCCCCNCCCF 34a_100015189416_100012276617 [0,2,0,0,0,0|1,0,1]=4 14706 B12R0.5 C#CCCCCCCNCCOC 2230a_100000209980_100012276617 [0,2,0,0,0,0|0,0,2]=4 14707 B12R0.5 C#CCCCCCCNCCSC 2230a_100020590264_100012276617 [0,2,0,0,0,0|1,0,1]=4 14708 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,2,0,0,0,0|1,0,1]=4 14709 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,2,0,0,0,0|1,0,0]=3 14710 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,2,0,0,0,0|1,0,0]=3 14711 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,2,0,0,0,0|1,0,0]=3 14712 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,2,0,0,0,0|1,0,0]=3 14713 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,2,0,0,0,0|1,0,1]=4 14714 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,2,0,0,0,0|1,0,1]=4 14715 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,2,0,0,0,0|1,0,1]=4 14716 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,2,0,0,0,0|1,0,1]=4 14717 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,2,0,0,0,0|1,0,1]=4 14718 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,2,0,0,0,0|0,0,1]=3 14719 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,2,0,0,0,0|0,0,1]=3 14720 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,2,0,0,0,0|0,0,2]=4 14721 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,2,0,0,0,0|0,0,2]=4 14722 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,2,0,0,0,0|0,0,2]=4 14723 B12R0.5 C#CCCCCCCOCCON 34a_100000700252_100012276617 [0,2,0,0,0,0|0,0,2]=4 14724 B12R0.5 C#CCCCCCCOCCSC 34a_100000230434_100012276617 [0,2,0,0,0,0|1,0,1]=4 14725 B12R0.5 C#CCCCCCCOCCSC 34a_100011217361_100000212216 [0,2,0,0,0,0|1,0,1]=4 14726 B12R0.5 C#CCCCCCCOCCSC 7a_100000230434_100012276617 [0,2,0,0,0,0|1,0,1]=4 14727 B12R0.5 C#CCCCCCCOCCSC 7a_100011217361_100000212216 [0,2,0,0,0,0|1,0,1]=4 14728 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,2,0,0,0,0|1,0,0]=3 14729 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,2,0,0,0,0|1,0,0]=3 14730 B12R0.5 C#CCCCCCCSCCCF 62a_100011934791_100012276617 [0,2,0,0,0,0|1,0,1]=4 14731 B12R0.5 C#CCCCCCCSCCCF 62a_100012276617_100011934791 [0,2,0,0,0,0|1,0,1]=4 14732 B12R0.5 C#CCCCCCCSCCCO 62a_100011215043_100012276617 [0,2,0,0,0,0|0,0,1]=3 14733 B12R0.5 C#CCCCCCCSCCCO 62a_100012276617_100011215043 [0,2,0,0,0,0|0,0,1]=3 14734 B12R0.5 C#CCCCCCCSCCOC 62a_100000233755_100012276617 [0,2,0,0,0,0|0,0,2]=4 14735 B12R0.5 C#CCCCCCCSCCOC 62a_100012276617_100000233755 [0,2,0,0,0,0|0,0,2]=4 14736 B12R0.5 C#CCCCCCCSCCSC 62a_100000212216_100012276617 [0,2,0,0,0,0|1,0,1]=4 14737 B12R0.5 C#CCCCCCCSCCSC 62a_100012276617_100000751147 [0,2,0,0,0,0|1,0,1]=4 14738 B12R0.5 C#CCCCCCCSCOCC 62a_100000739092_100012276617 [0,2,0,0,0,0|1,0,1]=4 14739 B12R0.5 C#CCCCCCCSCOCC 62a_100012276617_100000739092 [0,2,0,0,0,0|1,0,1]=4 14740 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,2,0,0,0,0|1,0,0]=3 14741 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,2,0,0,0,0|0,0,1]=3 14742 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,2,0,0,0,0|0,0,1]=3 14743 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,2,0,0,0,0|0,0,2]=4 14744 B12R0.5 C#CCCCCCNCCCSC 2230a_100000749238_100012094781 [0,2,0,0,0,0|1,0,1]=4 14745 B12R0.5 C#CCCCCCNCCOCC 2230a_102516460346_100012094781 [0,2,0,0,0,0|1,0,1]=4 14746 B12R0.5 C#CCCCCCNCCOCC 34a_102516460346_100012094781 [0,2,0,0,0,0|1,0,1]=4 14747 B12R0.5 C#CCCCCCNCCSCC 2230a_100000106463_100012094781 [0,2,0,0,0,0|1,0,1]=4 14748 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,2,0,0,0,0|1,0,1]=4 14749 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,2,0,0,0,0|1,0,0]=3 14750 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,2,0,0,0,0|1,0,0]=3 14751 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,2,0,0,0,0|1,0,0]=3 14752 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,2,0,0,0,0|1,0,0]=3 14753 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,2,0,0,0,0|1,0,1]=4 14754 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,2,0,0,0,0|1,0,1]=4 14755 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,2,0,0,0,0|1,0,1]=4 14756 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,2,0,0,0,0|1,0,1]=4 14757 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,2,0,0,0,0|1,0,1]=4 14758 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,2,0,0,0,0|1,0,1]=4 14759 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,2,0,0,0,0|1,0,1]=4 14760 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,2,0,0,0,0|1,0,1]=4 14761 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,2,0,0,0,0|0,0,1]=3 14762 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,2,0,0,0,0|0,0,1]=3 14763 B12R0.5 C#CCCCCCOCCCNC 34a_100000213112_100012094781 [0,2,0,0,0,0|1,0,1]=4 14764 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,2,0,0,0,0|0,0,2]=4 14765 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,2,0,0,0,0|0,0,2]=4 14766 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,2,0,0,0,0|0,0,2]=4 14767 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [0,2,0,0,0,0|1,0,1]=4 14768 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [0,2,0,0,0,0|1,0,1]=4 14769 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,2,0,0,0,0|1,0,1]=4 14770 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,2,0,0,0,0|1,0,1]=4 14771 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,2,0,0,0,0|1,0,1]=4 14772 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,2,0,0,0,0|1,0,1]=4 14773 B12R0.5 C#CCCCCCOCCSCC 34a_100000212035_100012094781 [0,2,0,0,0,0|1,0,1]=4 14774 B12R0.5 C#CCCCCCOCCSCC 34a_100000766912_100000757381 [0,2,0,0,0,0|1,0,1]=4 14775 B12R0.5 C#CCCCCCOCCSCC 7a_100000212035_100012094781 [0,2,0,0,0,0|1,0,1]=4 14776 B12R0.5 C#CCCCCCOCCSCC 7a_100000766912_100000757381 [0,2,0,0,0,0|1,0,1]=4 14777 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,2,0,0,0,0|1,0,0]=3 14778 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,2,0,0,0,0|1,0,0]=3 14779 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,2,0,0,0,0|1,0,1]=4 14780 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,2,0,0,0,0|1,0,1]=4 14781 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,2,0,0,0,0|0,0,1]=3 14782 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,2,0,0,0,0|0,0,1]=3 14783 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,2,0,0,0,0|0,0,2]=4 14784 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,2,0,0,0,0|0,0,2]=4 14785 B12R0.5 C#CCCCCCSCCOCC 62a_100000210147_100012094781 [0,2,0,0,0,0|1,0,1]=4 14786 B12R0.5 C#CCCCCCSCCOCC 62a_100012094781_100011215890 [0,2,0,0,0,0|1,0,1]=4 14787 B12R0.5 C#CCCCCCSCCSCC 62a_100000757381_100012094781 [0,2,0,0,0,0|1,0,1]=4 14788 B12R0.5 C#CCCCCCSCCSCC 62a_100012094781_100000757381 [0,2,0,0,0,0|1,0,1]=4 14789 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,2,0,0,0,0|1,0,0]=3 14790 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,2,0,0,0,0|1,0,0]=3 14791 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,2,0,0,0,0|1,0,0]=3 14792 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,2,0,0,0,0|1,0,1]=4 14793 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,2,0,0,0,0|1,0,1]=4 14794 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,2,0,0,0,0|0,0,1]=3 14795 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,2,0,0,0,0|0,0,1]=3 14796 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,2,0,0,0,0|0,0,1]=3 14797 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,2,0,0,0,0|0,0,1]=3 14798 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,2,0,0,0,0|0,0,2]=4 14799 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,2,0,0,0,0|0,0,2]=4 14800 B12R0.5 C#CCCCCNCCCOCC 2230a_100000210961_100010269958 [0,2,0,0,0,0|1,0,1]=4 14801 B12R0.5 C#CCCCCNCCCOCC 2230a_100000706060_100012232248 [0,2,0,0,0,0|1,0,1]=4 14802 B12R0.5 C#CCCCCNCCCOCC 34a_100000210961_100010269958 [0,2,0,0,0,0|1,0,1]=4 14803 B12R0.5 C#CCCCCNCCCOCC 34a_100000706060_100012232248 [0,2,0,0,0,0|1,0,1]=4 14804 B12R0.5 C#CCCCCNCCOCCC 2230a_100000706060_100011215938 [0,2,0,0,0,0|1,0,1]=4 14805 B12R0.5 C#CCCCCNCCOCCC 2230a_100161115042_100010269958 [0,2,0,0,0,0|1,0,1]=4 14806 B12R0.5 C#CCCCCNCCOCCC 34a_100000706060_100011215938 [0,2,0,0,0,0|1,0,1]=4 14807 B12R0.5 C#CCCCCNCCOCCC 34a_100161115042_100010269958 [0,2,0,0,0,0|1,0,1]=4 14808 B12R0.5 C#CCCCCNCCOCCO 2230a_100000211614_100010269958 [0,2,0,0,0,0|0,0,2]=4 14809 B12R0.5 C#CCCCCNCCOCCO 2230a_100000706060_100011215305 [0,2,0,0,0,0|0,0,2]=4 14810 B12R0.5 C#CCCCCNCCOCCO 34a_100000211614_100010269958 [0,2,0,0,0,0|0,0,2]=4 14811 B12R0.5 C#CCCCCNCCOCCO 34a_100000706060_100000692535 [0,2,0,0,0,0|0,0,2]=4 14812 B12R0.5 C#CCCCCNCCSCCC 2230a_100020603323_100010269958 [0,2,0,0,0,0|1,0,1]=4 14813 B12R0.5 C#CCCCCNCCSCCO 2230a_100011219999_100010269958 [0,2,0,0,0,0|0,0,2]=4 14814 B12R0.5 C#CCCCCNCOCCCC 2230a_100000706060_100011995733 [0,2,0,0,0,0|1,0,1]=4 14815 B12R0.5 C#CCCCCNCOCCCC 34a_100000706060_100011995733 [0,2,0,0,0,0|1,0,1]=4 14816 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,2,0,0,0,0|1,0,1]=4 14817 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,2,0,0,0,0|1,0,1]=4 14818 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,2,0,0,0,0|1,0,0]=3 14819 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,2,0,0,0,0|1,0,0]=3 14820 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,2,0,0,0,0|1,0,0]=3 14821 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,2,0,0,0,0|1,0,0]=3 14822 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,2,0,0,0,0|1,0,1]=4 14823 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,2,0,0,0,0|1,0,1]=4 14824 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,2,0,0,0,0|1,0,1]=4 14825 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,2,0,0,0,0|1,0,1]=4 14826 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,2,0,0,0,0|1,0,1]=4 14827 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,2,0,0,0,0|1,0,1]=4 14828 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,2,0,0,0,0|1,0,1]=4 14829 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,2,0,0,0,0|0,0,1]=3 14830 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,2,0,0,0,0|0,0,1]=3 14831 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,2,0,0,0,0|0,0,2]=4 14832 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,2,0,0,0,0|0,0,2]=4 14833 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,2,0,0,0,0|0,0,2]=4 14834 B12R0.5 C#CCCCCOCCCCSC 34a_100011217163_100010269958 [0,2,0,0,0,0|1,0,1]=4 14835 B12R0.5 C#CCCCCOCCCCSC 7a_100011217163_100010269958 [0,2,0,0,0,0|1,0,1]=4 14836 B12R0.5 C#CCCCCOCCCOCC 34a_100000757476_100010269958 [0,2,0,0,0,0|1,0,1]=4 14837 B12R0.5 C#CCCCCOCCCOCC 34a_100000766709_100012232248 [0,2,0,0,0,0|1,0,1]=4 14838 B12R0.5 C#CCCCCOCCCOCC 7a_100000757476_100010269958 [0,2,0,0,0,0|1,0,1]=4 14839 B12R0.5 C#CCCCCOCCCOCC 7a_100000766709_100012232248 [0,2,0,0,0,0|1,0,1]=4 14840 B12R0.5 C#CCCCCOCCCSCC 34a_100011216438_100010269958 [0,2,0,0,0,0|1,0,1]=4 14841 B12R0.5 C#CCCCCOCCCSCC 7a_100011216438_100010269958 [0,2,0,0,0,0|1,0,1]=4 14842 B12R0.5 C#CCCCCOCCOCCC 34a_100000752267_100010269958 [0,2,0,0,0,0|1,0,1]=4 14843 B12R0.5 C#CCCCCOCCOCCC 34a_100000766709_100011215938 [0,2,0,0,0,0|1,0,1]=4 14844 B12R0.5 C#CCCCCOCCOCCC 7a_100000752267_100010269958 [0,2,0,0,0,0|1,0,1]=4 14845 B12R0.5 C#CCCCCOCCOCCC 7a_100000766709_100011215938 [0,2,0,0,0,0|1,0,1]=4 14846 B12R0.5 C#CCCCCOCCOCCO 34a_100000766709_100000692535 [0,2,0,0,0,0|0,0,2]=4 14847 B12R0.5 C#CCCCCOCCOCCO 7a_100000766709_100011215305 [0,2,0,0,0,0|0,0,2]=4 14848 B12R0.5 C#CCCCCOCCSCCC 34a_200000230433_100010269958 [0,2,0,0,0,0|1,0,1]=4 14849 B12R0.5 C#CCCCCOCCSCCC 7a_200000230433_100010269958 [0,2,0,0,0,0|1,0,1]=4 14850 B12R0.5 C#CCCCCOCOCCCC 34a_100000766709_100011995733 [0,2,0,0,0,0|1,0,1]=4 14851 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,2,0,0,0,0|1,0,0]=3 14852 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,2,0,0,0,0|1,0,0]=3 14853 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,2,0,0,0,0|1,0,1]=4 14854 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,2,0,0,0,0|1,0,1]=4 14855 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,2,0,0,0,0|0,0,1]=3 14856 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,2,0,0,0,0|0,0,1]=3 14857 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,2,0,0,0,0|0,0,2]=4 14858 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,2,0,0,0,0|0,0,2]=4 14859 B12R0.5 C#CCCCCSCCCOCC 62a_100010269958_100012232248 [0,2,0,0,0,0|1,0,1]=4 14860 B12R0.5 C#CCCCCSCCCOCC 62a_100012232248_100010269958 [0,2,0,0,0,0|1,0,1]=4 14861 B12R0.5 C#CCCCCSCCOCCC 62a_100010269958_100011215938 [0,2,0,0,0,0|1,0,1]=4 14862 B12R0.5 C#CCCCCSCCOCCC 62a_100011215938_100010269958 [0,2,0,0,0,0|1,0,1]=4 14863 B12R0.5 C#CCCCCSCCOCCO 62a_100010269958_100011215305 [0,2,0,0,0,0|0,0,2]=4 14864 B12R0.5 C#CCCCCSCCOCCO 62a_100011215305_100010269958 [0,2,0,0,0,0|0,0,2]=4 14865 B12R0.5 C#CCCCCSCOCCCC 62a_100010269958_100011995733 [0,2,0,0,0,0|1,0,1]=4 14866 B12R0.5 C#CCCCCSCOCCCC 62a_100011995733_100010269958 [0,2,0,0,0,0|1,0,1]=4 14867 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,2,0,0,0,0|1,0,0]=3 14868 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,2,0,0,0,0|1,0,0]=3 14869 B12R0.5 C#CCCCNCCCCCCF 34a_100000718082_100015922095 [0,2,0,0,0,0|1,0,1]=4 14870 B12R0.5 C#CCCCNCCCCCCO 2230a_100000686447_100000731252 [0,2,0,0,0,0|0,0,1]=3 14871 B12R0.5 C#CCCCNCCCCCCO 34a_100000686447_100000695029 [0,2,0,0,0,0|0,0,1]=3 14872 B12R0.5 C#CCCCNCCCCCCO 34a_100000718082_100000766143 [0,2,0,0,0,0|0,0,1]=3 14873 B12R0.5 C#CCCCNCCCCCOC 2230a_100000747528_100000731252 [0,2,0,0,0,0|0,0,2]=4 14874 B12R0.5 C#CCCCNCCCCCOC 34a_100000747528_100000695029 [0,2,0,0,0,0|0,0,2]=4 14875 B12R0.5 C#CCCCNCCCOCCC 2230a_100011217757_100000731252 [0,2,0,0,0,0|1,0,1]=4 14876 B12R0.5 C#CCCCNCCCOCCC 34a_100011217757_100000695029 [0,2,0,0,0,0|1,0,1]=4 14877 B12R0.5 C#CCCCNCCOCCCC 34a_100000718082_100000743108 [0,2,0,0,0,0|1,0,1]=4 14878 B12R0.5 C#CCCCNCCSCCCC 2230a_100025743550_100000731252 [0,2,0,0,0,0|1,0,1]=4 14879 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,2,0,0,0,0|1,0,1]=4 14880 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,2,0,0,0,0|1,0,1]=4 14881 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,2,0,0,0,0|1,0,0]=3 14882 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,2,0,0,0,0|1,0,0]=3 14883 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,2,0,0,0,0|1,0,0]=3 14884 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,2,0,0,0,0|1,0,0]=3 14885 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,2,0,0,0,0|1,0,1]=4 14886 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,2,0,0,0,0|1,0,1]=4 14887 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,2,0,0,0,0|1,0,1]=4 14888 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,2,0,0,0,0|1,0,1]=4 14889 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,2,0,0,0,0|1,0,1]=4 14890 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,2,0,0,0,0|1,0,1]=4 14891 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,2,0,0,0,0|1,0,1]=4 14892 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,2,0,0,0,0|0,0,1]=3 14893 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,2,0,0,0,0|0,0,1]=3 14894 B12R0.5 C#CCCCOCCCCCNC 34a_100000722520_100000695029 [0,2,0,0,0,0|1,0,1]=4 14895 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,2,0,0,0,0|1,0,1]=4 14896 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,2,0,0,0,0|1,0,1]=4 14897 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,2,0,0,0,0|1,0,1]=4 14898 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,2,0,0,0,0|1,0,1]=4 14899 B12R0.5 C#CCCCOCCSCCCC 34a_200000230436_100000695029 [0,2,0,0,0,0|1,0,1]=4 14900 B12R0.5 C#CCCCOCCSCCCC 7a_200000230436_100011215417 [0,2,0,0,0,0|1,0,1]=4 14901 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,2,0,0,0,0|1,0,0]=3 14902 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,2,0,0,0,0|1,0,0]=3 14903 B12R0.5 C#CCCCSCCCCCCF 62a_100011215417_100015922095 [0,2,0,0,0,0|1,0,1]=4 14904 B12R0.5 C#CCCCSCCCCCCF 62a_100015922095_100011215417 [0,2,0,0,0,0|1,0,1]=4 14905 B12R0.5 C#CCCCSCCCCCCO 62a_100000766143_100011215417 [0,2,0,0,0,0|0,0,1]=3 14906 B12R0.5 C#CCCCSCCCCCCO 62a_100011215417_100000766143 [0,2,0,0,0,0|0,0,1]=3 14907 B12R0.5 C#CCCCSCCOCCCC 62a_100000743108_100011215417 [0,2,0,0,0,0|1,0,1]=4 14908 B12R0.5 C#CCCCSCCOCCCC 62a_100011215417_100000743108 [0,2,0,0,0,0|1,0,1]=4 14909 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,2,0,0,0,0|1,0,0]=3 14910 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,2,0,0,0,0|1,0,0]=3 14911 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,2,0,0,0,0|1,0,0]=3 14912 B12R0.5 C#CCCNCCCCCCCO 2230a_100011996573_100000688953 [0,2,0,0,0,0|0,0,1]=3 14913 B12R0.5 C#CCCNCCCCCCCO 34a_100000755551_100000760002 [0,2,0,0,0,0|0,0,1]=3 14914 B12R0.5 C#CCCNCCCCCCCO 34a_100011996573_100000688953 [0,2,0,0,0,0|0,0,1]=3 14915 B12R0.5 C#CCCNCCCCCCOC 34a_100000755551_100011998445 [0,2,0,0,0,0|0,0,2]=4 14916 B12R0.5 C#CCCNCCCOCCCC 2230a_200000211371_100000688953 [0,2,0,0,0,0|1,0,1]=4 14917 B12R0.5 C#CCCNCCCOCCCC 34a_200000211371_100000688953 [0,2,0,0,0,0|1,0,1]=4 14918 B12R0.5 C#CCCNCCCOCCCO 2230a_100011310245_100000688953 [0,2,0,0,0,0|0,0,2]=4 14919 B12R0.5 C#CCCNCCCOCCCO 34a_100011310245_100000688953 [0,2,0,0,0,0|0,0,2]=4 14920 B12R0.5 C#CCCOCCCCCCCBr 34a_100000760002_100000688953 [0,2,0,0,0,0|1,0,1]=4 14921 B12R0.5 C#CCCOCCCCCCCBr 7a_100000760002_100000688953 [0,2,0,0,0,0|1,0,1]=4 14922 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,2,0,0,0,0|1,0,0]=3 14923 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,2,0,0,0,0|1,0,0]=3 14924 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,2,0,0,0,0|1,0,0]=3 14925 B12R0.5 C#CCCOCCCCCCCN 34a_100011996573_100000688953 [0,2,0,0,0,0|1,0,1]=4 14926 B12R0.5 C#CCCOCCCCCCCO 34a_100011215631_100000760002 [0,2,0,0,0,0|0,0,1]=3 14927 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,2,0,0,0,0|0,0,2]=4 14928 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,2,0,0,0,0|0,0,2]=4 14929 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,2,0,0,0,0|0,0,2]=4 14930 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,2,0,0,0,0|1,0,1]=4 14931 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,2,0,0,0,0|1,0,1]=4 14932 B12R0.5 C#CCCOCCNCCCCC 34a_100000224656_100000688953 [0,2,0,0,0,0|1,0,1]=4 14933 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,2,0,0,0,0|1,0,1]=4 14934 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,2,0,0,0,0|1,0,1]=4 14935 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,2,0,0,0,0|1,0,0]=3 14936 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,2,0,0,0,0|1,0,0]=3 14937 B12R0.5 C#CCCSCCCCCCCO 62a_100000688953_100000760002 [0,2,0,0,0,0|0,0,1]=3 14938 B12R0.5 C#CCCSCCCCCCCO 62a_100000760002_100000688953 [0,2,0,0,0,0|0,0,1]=3 14939 B12R0.5 C#CCCSCCCCCCOC 62a_100000688953_100011998445 [0,2,0,0,0,0|0,0,2]=4 14940 B12R0.5 C#CCCSCCCCCCOC 62a_100011998445_100000688953 [0,2,0,0,0,0|0,0,2]=4 14941 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,2,0,0,0,0|1,0,0]=3 14942 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,2,0,0,0,0|1,0,0]=3 14943 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,2,0,0,0,0|1,0,0]=3 14944 B12R0.5 C#CCNCCCCCCCCO 2230a_102515433106_100000038162 [0,2,0,0,0,0|0,0,1]=3 14945 B12R0.5 C#CCNCCCCCCCCO 34a_100000212058_100000033203 [0,2,0,0,0,0|0,0,1]=3 14946 B12R0.5 C#CCNCCCCCCCCO 34a_102515433106_100000184674 [0,2,0,0,0,0|0,0,1]=3 14947 B12R0.5 C#CCOCCCCCCCCBr 34a_100009813846_100000184674 [0,2,0,0,0,0|1,0,1]=4 14948 B12R0.5 C#CCOCCCCCCCCBr 7a_100009813846_100000038162 [0,2,0,0,0,0|1,0,1]=4 14949 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,2,0,0,0,0|1,0,0]=3 14950 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,2,0,0,0,0|1,0,0]=3 14951 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,2,0,0,0,0|1,0,0]=3 14952 B12R0.5 C#CCOCCCCCCCCCl 34a_100000033203_100000184674 [0,2,0,0,0,0|1,0,1]=4 14953 B12R0.5 C#CCOCCCCCCCCCl 7a_100000033203_100000038162 [0,2,0,0,0,0|1,0,1]=4 14954 B12R0.5 C#CCOCCCCCCCCN 34a_102515433106_100000184674 [0,2,0,0,0,0|1,0,1]=4 14955 B12R0.5 C#CCOCCCCCCCCO 34a_100000210247_100000033203 [0,2,0,0,0,0|0,0,1]=3 14956 B12R0.5 C#CCOCCCCCCOCC 34a_200011021349_100000210202 [0,2,0,0,0,0|1,0,1]=4 14957 B12R0.5 C#CCOCCCCCCOCC 7a_200011021349_100000210202 [0,2,0,0,0,0|1,0,1]=4 14958 B12R0.5 C#CCOCCCCNCCCC 34a_200011216965_100000184674 [0,2,0,0,0,0|1,0,1]=4 14959 B12R0.5 C#CCOCCCCOCCCC 34a_200000760531_100000184674 [0,2,0,0,0,0|1,0,1]=4 14960 B12R0.5 C#CCOCCCCOCCCC 7a_200000760531_100000038162 [0,2,0,0,0,0|1,0,1]=4 14961 B12R0.5 C#CCOCCNCCCCCC 2230a_100000210581_100010402529 [0,2,0,0,0,0|1,0,1]=4 14962 B12R0.5 C#CCOCCNCCCCCC 2230a_100000700922_100000210314 [0,2,0,0,0,0|1,0,1]=4 14963 B12R0.5 C#CCOCCNCCCCCC 34a_100000700922_100000210314 [0,2,0,0,0,0|1,0,1]=4 14964 B12R0.5 C#CCOCCNCCCCCO 2230a_100000700922_100000746330 [0,2,0,0,0,0|0,0,2]=4 14965 B12R0.5 C#CCOCCNCCCCCO 2230a_100000762737_100010402529 [0,2,0,0,0,0|0,0,2]=4 14966 B12R0.5 C#CCOCCNCCCCCO 34a_100000700922_100000746330 [0,2,0,0,0,0|0,0,2]=4 14967 B12R0.5 C#CCOCCNCCCCCO 34a_100000762737_100010402529 [0,2,0,0,0,0|0,0,2]=4 14968 B12R0.5 C#CCOCCOCCCCCC 34a_100000054580_100000210314 [0,2,0,0,0,0|1,0,1]=4 14969 B12R0.5 C#CCOCCOCCCCCC 34a_100000210259_100010402529 [0,2,0,0,0,0|1,0,1]=4 14970 B12R0.5 C#CCOCCOCCCCCC 34a_100000691444_100000184674 [0,2,0,0,0,0|1,0,1]=4 14971 B12R0.5 C#CCOCCOCCCCCC 7a_100000054580_100000210314 [0,2,0,0,0,0|1,0,1]=4 14972 B12R0.5 C#CCOCCOCCCCCC 7a_100000210259_100010402529 [0,2,0,0,0,0|1,0,1]=4 14973 B12R0.5 C#CCOCCOCCCCCC 7a_100000691444_100000038162 [0,2,0,0,0,0|1,0,1]=4 14974 B12R0.5 C#CCOCCOCCCCCO 34a_100000054580_100000746330 [0,2,0,0,0,0|0,0,2]=4 14975 B12R0.5 C#CCOCCOCCCCCO 7a_100000054580_100000746330 [0,2,0,0,0,0|0,0,2]=4 14976 B12R0.5 C#CCOCCSCCCCCC 62a_100000210314_100010402529 [0,2,0,0,0,0|1,0,1]=4 14977 B12R0.5 C#CCOCCSCCCCCC 62a_100010402529_100000210757 [0,2,0,0,0,0|1,0,1]=4 14978 B12R0.5 C#CCOCCSCCCCCO 62a_100000746330_100010402529 [0,2,0,0,0,0|0,0,2]=4 14979 B12R0.5 C#CCOCCSCCCCCO 62a_100010402529_100000746330 [0,2,0,0,0,0|0,0,2]=4 14980 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,2,0,0,0,0|1,0,0]=3 14981 B12R0.5 C#CCSCCCCCCCCO 62a_100000038162_100000033203 [0,2,0,0,0,0|0,0,1]=3 14982 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,2,0,0,0,0|1,0,1]=4 14983 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,2,0,0,0,0|1,0,1]=4 14984 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,2,0,0,0,0|0,0,1]=3 14985 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,2,0,0,0,0|1,0,1]=4 14986 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,2,0,0,0,0|0,0,1]=3 14987 B12R0.5 C/C=C/CNCCCOCCCO 34a_100011310245_100102629194 [0,2,0,0,0,0|0,0,2]=4 14988 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,2,0,0,0,0|1,0,1]=4 14989 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,2,0,0,0,0|1,0,1]=4 14990 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,2,0,0,0,0|1,0,1]=4 14991 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,2,0,0,0,0|1,0,1]=4 14992 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,2,0,0,0,0|1,0,1]=4 14993 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,2,0,0,0,0|1,0,1]=4 14994 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,2,0,0,0,0|0,0,1]=3 14995 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,2,0,0,0,0|0,0,2]=4 14996 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,2,0,0,0,0|0,0,2]=4 14997 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,2,0,0,0,0|0,0,2]=4 14998 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,2,0,0,0,0|1,0,1]=4 14999 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,2,0,0,0,0|1,0,1]=4 15000 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,2,0,0,0,0|0,0,1]=3 15001 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,2,0,0,0,0|0,0,1]=3 15002 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,2,0,0,0,0|0,0,2]=4 15003 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,2,0,0,0,0|0,0,2]=4 15004 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,2,0,0,0,0|1,0,0]=3 15005 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,2,0,0,0,0|1,0,0]=3 15006 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,2,0,0,0,0|1,0,0]=3 15007 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,2,0,0,0,0|1,0,0]=3 15008 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,2,0,0,0,0|1,0,0]=3 15009 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,2,0,0,0,0|1,0,0]=3 15010 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,2,0,0,0,0|1,0,0]=3 15011 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,2,0,0,0,0|0,0,1]=3 15012 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,2,0,0,0,0|0,0,1]=3 15013 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,2,0,0,0,0|0,0,1]=3 15014 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,2,0,0,0,0|0,0,1]=3 15015 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,2,0,0,0,0|0,0,1]=3 15016 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,2,0,0,0,0|1,0,0]=3 15017 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,2,0,0,0,0|1,0,0]=3 15018 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,2,0,0,0,0|1,0,0]=3 15019 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,2,0,0,0,0|1,0,0]=3 15020 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,2,0,0,0,0|1,0,0]=3 15021 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,2,0,0,0,0|1,0,0]=3 15022 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,2,0,0,0,0|1,0,0]=3 15023 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,2,0,0,0,0|1,0,0]=3 15024 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,2,0,0,0,0|0,0,2]=4 15025 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,2,0,0,0,0|0,0,2]=4 15026 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,2,0,0,0,0|1,0,0]=3 15027 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,2,0,0,0,0|1,0,0]=3 15028 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,2,0,0,0,0|1,0,1]=4 15029 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,2,0,0,0,0|1,0,1]=4 15030 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,2,0,0,0,0|1,0,1]=4 15031 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,2,0,0,0,0|0,0,1]=3 15032 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,2,0,0,0,0|0,0,1]=3 15033 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,2,0,0,0,0|1,0,1]=4 15034 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,2,0,0,0,0|1,0,0]=3 15035 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,2,0,0,0,0|1,0,0]=3 15036 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,2,0,0,0,0|1,0,0]=3 15037 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,2,0,0,0,0|1,0,1]=4 15038 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,2,0,0,0,0|1,0,1]=4 15039 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,2,0,0,0,0|1,0,1]=4 15040 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,2,0,0,0,0|0,0,1]=3 15041 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,2,0,0,0,0|0,0,1]=3 15042 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,2,0,0,0,0|1,0,1]=4 15043 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,2,0,0,0,0|1,0,0]=3 15044 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,2,0,0,0,0|1,0,0]=3 15045 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,2,0,0,0,0|1,0,1]=4 15046 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,2,0,0,0,0|1,0,1]=4 15047 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,2,0,0,0,0|0,0,1]=3 15048 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,2,0,0,0,0|0,0,1]=3 15049 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,2,0,0,0,0|0,0,2]=4 15050 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,2,0,0,0,0|0,0,2]=4 15051 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,2,0,0,0,0|1,0,1]=4 15052 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,2,0,0,0,0|1,0,1]=4 15053 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,2,0,0,0,0|1,0,0]=3 15054 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,2,0,0,0,0|1,0,0]=3 15055 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,2,0,0,0,0|1,0,1]=4 15056 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,2,0,0,0,0|1,0,1]=4 15057 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,2,0,0,0,0|0,0,2]=4 15058 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,2,0,0,0,0|1,0,1]=4 15059 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,2,0,0,0,0|1,0,1]=4 15060 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,2,0,0,0,0|1,0,0]=3 15061 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,2,0,0,0,0|1,0,0]=3 15062 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,2,0,0,0,0|1,0,0]=3 15063 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,2,0,0,0,0|1,0,0]=3 15064 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,2,0,0,0,0|1,0,1]=4 15065 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,2,0,0,0,0|1,0,1]=4 15066 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,2,0,0,0,0|1,0,1]=4 15067 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,2,0,0,0,0|1,0,1]=4 15068 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,2,0,0,0,0|1,0,1]=4 15069 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,2,0,0,0,0|0,0,1]=3 15070 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,2,0,0,0,0|0,0,1]=3 15071 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,2,0,0,0,0|0,0,2]=4 15072 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,2,0,0,0,0|0,0,2]=4 15073 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,2,0,0,0,0|0,0,2]=4 15074 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,2,0,0,0,0|0,0,2]=4 15075 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,2,0,0,0,0|1,0,1]=4 15076 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,2,0,0,0,0|1,0,1]=4 15077 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,2,0,0,0,0|1,0,1]=4 15078 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,2,0,0,0,0|1,0,1]=4 15079 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,2,0,0,0,0|1,0,0]=3 15080 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,2,0,0,0,0|1,0,0]=3 15081 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,2,0,0,0,0|1,0,1]=4 15082 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,2,0,0,0,0|1,0,1]=4 15083 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,2,0,0,0,0|0,0,1]=3 15084 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,2,0,0,0,0|0,0,1]=3 15085 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,2,0,0,0,0|0,0,2]=4 15086 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,2,0,0,0,0|0,0,2]=4 15087 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,2,0,0,0,0|1,0,1]=4 15088 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,2,0,0,0,0|1,0,1]=4 15089 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,2,0,0,0,0|1,0,1]=4 15090 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,2,0,0,0,0|1,0,1]=4 15091 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,2,0,0,0,0|1,0,0]=3 15092 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,2,0,0,0,0|0,0,1]=3 15093 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,2,0,0,0,0|0,0,1]=3 15094 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,2,0,0,0,0|0,0,2]=4 15095 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,2,0,0,0,0|1,0,1]=4 15096 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,2,0,0,0,0|1,0,1]=4 15097 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,2,0,0,0,0|1,0,1]=4 15098 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,2,0,0,0,0|1,0,1]=4 15099 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,2,0,0,0,0|1,0,1]=4 15100 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,2,0,0,0,0|1,0,0]=3 15101 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,2,0,0,0,0|1,0,0]=3 15102 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,2,0,0,0,0|1,0,0]=3 15103 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,2,0,0,0,0|1,0,0]=3 15104 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,2,0,0,0,0|1,0,1]=4 15105 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,2,0,0,0,0|1,0,1]=4 15106 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,2,0,0,0,0|1,0,1]=4 15107 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,2,0,0,0,0|1,0,1]=4 15108 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,2,0,0,0,0|1,0,1]=4 15109 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,2,0,0,0,0|1,0,1]=4 15110 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,2,0,0,0,0|1,0,1]=4 15111 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,2,0,0,0,0|1,0,1]=4 15112 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,2,0,0,0,0|0,0,1]=3 15113 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,2,0,0,0,0|0,0,1]=3 15114 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,2,0,0,0,0|1,0,1]=4 15115 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,2,0,0,0,0|0,0,2]=4 15116 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,2,0,0,0,0|0,0,2]=4 15117 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,2,0,0,0,0|0,0,2]=4 15118 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,2,0,0,0,0|1,0,1]=4 15119 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,2,0,0,0,0|1,0,1]=4 15120 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,2,0,0,0,0|1,0,1]=4 15121 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,2,0,0,0,0|1,0,1]=4 15122 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,2,0,0,0,0|1,0,1]=4 15123 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,2,0,0,0,0|1,0,1]=4 15124 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,2,0,0,0,0|1,0,1]=4 15125 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,2,0,0,0,0|1,0,1]=4 15126 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,2,0,0,0,0|1,0,1]=4 15127 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,2,0,0,0,0|1,0,1]=4 15128 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,2,0,0,0,0|1,0,0]=3 15129 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,2,0,0,0,0|1,0,0]=3 15130 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,2,0,0,0,0|1,0,1]=4 15131 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,2,0,0,0,0|1,0,1]=4 15132 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,2,0,0,0,0|0,0,1]=3 15133 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,2,0,0,0,0|0,0,1]=3 15134 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,2,0,0,0,0|0,0,2]=4 15135 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,2,0,0,0,0|0,0,2]=4 15136 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,2,0,0,0,0|1,0,1]=4 15137 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,2,0,0,0,0|1,0,1]=4 15138 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,2,0,0,0,0|1,0,1]=4 15139 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,2,0,0,0,0|1,0,1]=4 15140 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,2,0,0,0,0|1,0,0]=3 15141 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,2,0,0,0,0|1,0,0]=3 15142 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,2,0,0,0,0|1,0,0]=3 15143 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,2,0,0,0,0|1,0,1]=4 15144 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,2,0,0,0,0|1,0,1]=4 15145 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,2,0,0,0,0|0,0,1]=3 15146 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,2,0,0,0,0|0,0,1]=3 15147 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,2,0,0,0,0|0,0,1]=3 15148 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,2,0,0,0,0|0,0,1]=3 15149 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,2,0,0,0,0|0,0,2]=4 15150 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,2,0,0,0,0|0,0,2]=4 15151 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,2,0,0,0,0|1,0,1]=4 15152 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,2,0,0,0,0|1,0,1]=4 15153 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,2,0,0,0,0|1,0,1]=4 15154 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,2,0,0,0,0|1,0,1]=4 15155 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,2,0,0,0,0|1,0,1]=4 15156 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,2,0,0,0,0|1,0,1]=4 15157 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,2,0,0,0,0|1,0,1]=4 15158 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,2,0,0,0,0|1,0,1]=4 15159 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,2,0,0,0,0|0,0,2]=4 15160 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,2,0,0,0,0|0,0,2]=4 15161 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,2,0,0,0,0|0,0,2]=4 15162 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,2,0,0,0,0|0,0,2]=4 15163 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,2,0,0,0,0|1,0,1]=4 15164 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,2,0,0,0,0|0,0,2]=4 15165 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,2,0,0,0,0|1,0,1]=4 15166 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,2,0,0,0,0|1,0,1]=4 15167 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,2,0,0,0,0|1,0,1]=4 15168 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,2,0,0,0,0|1,0,1]=4 15169 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,2,0,0,0,0|1,0,0]=3 15170 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,2,0,0,0,0|1,0,0]=3 15171 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,2,0,0,0,0|1,0,0]=3 15172 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,2,0,0,0,0|1,0,0]=3 15173 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,2,0,0,0,0|1,0,1]=4 15174 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,2,0,0,0,0|1,0,1]=4 15175 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,2,0,0,0,0|1,0,1]=4 15176 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,2,0,0,0,0|1,0,1]=4 15177 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,2,0,0,0,0|1,0,1]=4 15178 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,2,0,0,0,0|1,0,1]=4 15179 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,2,0,0,0,0|1,0,1]=4 15180 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,2,0,0,0,0|0,0,1]=3 15181 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,2,0,0,0,0|0,0,1]=3 15182 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,2,0,0,0,0|0,0,2]=4 15183 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,2,0,0,0,0|0,0,2]=4 15184 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,2,0,0,0,0|0,0,2]=4 15185 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,2,0,0,0,0|1,0,1]=4 15186 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,2,0,0,0,0|1,0,1]=4 15187 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,2,0,0,0,0|1,0,1]=4 15188 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,2,0,0,0,0|1,0,1]=4 15189 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,2,0,0,0,0|1,0,1]=4 15190 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,2,0,0,0,0|1,0,1]=4 15191 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,2,0,0,0,0|1,0,1]=4 15192 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,2,0,0,0,0|1,0,1]=4 15193 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,2,0,0,0,0|1,0,1]=4 15194 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,2,0,0,0,0|1,0,1]=4 15195 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,2,0,0,0,0|1,0,1]=4 15196 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,2,0,0,0,0|1,0,1]=4 15197 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,2,0,0,0,0|0,0,2]=4 15198 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,2,0,0,0,0|0,0,2]=4 15199 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,2,0,0,0,0|1,0,1]=4 15200 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,2,0,0,0,0|1,0,1]=4 15201 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,2,0,0,0,0|1,0,1]=4 15202 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,2,0,0,0,0|1,0,0]=3 15203 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,2,0,0,0,0|1,0,0]=3 15204 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,2,0,0,0,0|1,0,1]=4 15205 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,2,0,0,0,0|1,0,1]=4 15206 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,2,0,0,0,0|0,0,1]=3 15207 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,2,0,0,0,0|0,0,1]=3 15208 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,2,0,0,0,0|0,0,2]=4 15209 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,2,0,0,0,0|0,0,2]=4 15210 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,2,0,0,0,0|1,0,1]=4 15211 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,2,0,0,0,0|1,0,1]=4 15212 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,2,0,0,0,0|1,0,1]=4 15213 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,2,0,0,0,0|1,0,1]=4 15214 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,2,0,0,0,0|0,0,2]=4 15215 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,2,0,0,0,0|0,0,2]=4 15216 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,2,0,0,0,0|1,0,1]=4 15217 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,2,0,0,0,0|1,0,1]=4 15218 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,2,0,0,0,0|1,0,0]=3 15219 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,2,0,0,0,0|1,0,0]=3 15220 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,2,0,0,0,0|1,0,0]=3 15221 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,2,0,0,0,0|1,0,1]=4 15222 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,2,0,0,0,0|1,0,1]=4 15223 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,2,0,0,0,0|0,0,1]=3 15224 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,2,0,0,0,0|0,0,1]=3 15225 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,2,0,0,0,0|0,0,1]=3 15226 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,2,0,0,0,0|0,0,1]=3 15227 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,2,0,0,0,0|0,0,2]=4 15228 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,2,0,0,0,0|0,0,2]=4 15229 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,2,0,0,0,0|1,0,1]=4 15230 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,2,0,0,0,0|1,0,1]=4 15231 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,2,0,0,0,0|1,0,1]=4 15232 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,2,0,0,0,0|1,0,1]=4 15233 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,2,0,0,0,0|1,0,1]=4 15234 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,2,0,0,0,0|1,0,1]=4 15235 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,2,0,0,0,0|1,0,1]=4 15236 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,2,0,0,0,0|1,0,0]=3 15237 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,2,0,0,0,0|1,0,0]=3 15238 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,2,0,0,0,0|1,0,0]=3 15239 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,2,0,0,0,0|1,0,0]=3 15240 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,2,0,0,0,0|1,0,1]=4 15241 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,2,0,0,0,0|1,0,1]=4 15242 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,2,0,0,0,0|1,0,1]=4 15243 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,2,0,0,0,0|1,0,1]=4 15244 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,2,0,0,0,0|1,0,1]=4 15245 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,2,0,0,0,0|1,0,1]=4 15246 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,2,0,0,0,0|1,0,1]=4 15247 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,2,0,0,0,0|0,0,1]=3 15248 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,2,0,0,0,0|0,0,1]=3 15249 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,2,0,0,0,0|1,0,1]=4 15250 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,2,0,0,0,0|1,0,1]=4 15251 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,2,0,0,0,0|1,0,1]=4 15252 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,2,0,0,0,0|1,0,1]=4 15253 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,2,0,0,0,0|1,0,1]=4 15254 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,2,0,0,0,0|1,0,1]=4 15255 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,2,0,0,0,0|1,0,1]=4 15256 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,2,0,0,0,0|1,0,0]=3 15257 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,2,0,0,0,0|1,0,0]=3 15258 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,2,0,0,0,0|1,0,1]=4 15259 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,2,0,0,0,0|1,0,1]=4 15260 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,2,0,0,0,0|0,0,1]=3 15261 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,2,0,0,0,0|0,0,1]=3 15262 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,2,0,0,0,0|1,0,1]=4 15263 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,2,0,0,0,0|1,0,1]=4 15264 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,2,0,0,0,0|1,0,0]=3 15265 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,2,0,0,0,0|1,0,0]=3 15266 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,2,0,0,0,0|1,0,0]=3 15267 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,2,0,0,0,0|0,0,1]=3 15268 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,2,0,0,0,0|0,0,1]=3 15269 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,2,0,0,0,0|0,0,1]=3 15270 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,2,0,0,0,0|0,0,2]=4 15271 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,2,0,0,0,0|1,0,1]=4 15272 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,2,0,0,0,0|1,0,1]=4 15273 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,2,0,0,0,0|0,0,2]=4 15274 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,2,0,0,0,0|0,0,2]=4 15275 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,2,0,0,0,0|1,0,1]=4 15276 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,2,0,0,0,0|1,0,1]=4 15277 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,2,0,0,0,0|1,0,0]=3 15278 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,2,0,0,0,0|1,0,0]=3 15279 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,2,0,0,0,0|1,0,0]=3 15280 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,2,0,0,0,0|1,0,1]=4 15281 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,2,0,0,0,0|0,0,1]=3 15282 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,2,0,0,0,0|0,0,2]=4 15283 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,2,0,0,0,0|0,0,2]=4 15284 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,2,0,0,0,0|0,0,2]=4 15285 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,2,0,0,0,0|1,0,1]=4 15286 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,2,0,0,0,0|1,0,1]=4 15287 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,2,0,0,0,0|1,0,1]=4 15288 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,2,0,0,0,0|1,0,1]=4 15289 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,2,0,0,0,0|1,0,1]=4 15290 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,2,0,0,0,0|1,0,0]=3 15291 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,2,0,0,0,0|1,0,0]=3 15292 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,2,0,0,0,0|0,0,1]=3 15293 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,2,0,0,0,0|0,0,1]=3 15294 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,2,0,0,0,0|0,0,2]=4 15295 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,2,0,0,0,0|0,0,2]=4 15296 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,2,0,0,0,0|1,0,0]=3 15297 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,2,0,0,0,0|1,0,0]=3 15298 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,2,0,0,0,0|1,0,0]=3 15299 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,2,0,0,0,0|0,0,1]=3 15300 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,2,0,0,0,0|0,0,1]=3 15301 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,2,0,0,0,0|0,0,1]=3 15302 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,2,0,0,0,0|1,0,1]=4 15303 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,2,0,0,0,0|1,0,1]=4 15304 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,2,0,0,0,0|1,0,0]=3 15305 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,2,0,0,0,0|1,0,0]=3 15306 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,2,0,0,0,0|1,0,0]=3 15307 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,2,0,0,0,0|1,0,1]=4 15308 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,2,0,0,0,0|1,0,1]=4 15309 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,2,0,0,0,0|1,0,1]=4 15310 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,2,0,0,0,0|0,0,1]=3 15311 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,2,0,0,0,0|1,0,1]=4 15312 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,2,0,0,0,0|1,0,1]=4 15313 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,2,0,0,0,0|1,0,1]=4 15314 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,2,0,0,0,0|1,0,1]=4 15315 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,2,0,0,0,0|1,0,1]=4 15316 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,2,0,0,0,0|1,0,1]=4 15317 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,2,0,0,0,0|1,0,1]=4 15318 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,2,0,0,0,0|0,0,2]=4 15319 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,2,0,0,0,0|0,0,2]=4 15320 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,2,0,0,0,0|1,0,0]=3 15321 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,2,0,0,0,0|0,0,1]=3 15322 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,2,0,0,0,0|0,0,1]=3 15323 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,2,0,0,0,0|1,0,0]=3 15324 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,2,0,0,0,0|1,0,0]=3 15325 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,2,0,0,0,0|2,0,0]=4 15326 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,2,0,0,0,0|2,0,0]=4 15327 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,2,0,0,0,0|0,0,2]=4 15328 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,2,0,0,0,0|0,0,2]=4 15329 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,2,0,0,0,0|2,0,0]=4 15330 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,2,0,0,0,0|2,0,0]=4 15331 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,2,0,0,0,0|2,0,0]=4 15332 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,2,0,0,0,0|2,0,0]=4 15333 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,2,0,0,0,0|2,0,0]=4 15334 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,2,0,0,0,0|2,0,0]=4 15335 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,2,0,0,0,0|1,0,0]=3 15336 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,2,0,0,0,0|1,0,0]=3 15337 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,2,0,0,0,0|2,0,0]=4 15338 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,2,0,0,0,0|2,0,0]=4 15339 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,2,0,0,0,0|0,0,2]=4 15340 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,2,0,0,0,0|0,0,2]=4 15341 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,2,0,0,0,0|2,0,0]=4 15342 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,2,0,0,0,0|2,0,0]=4 15343 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [0,2,0,0,0,0|2,0,0]=4 15344 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [0,2,0,0,0,0|2,0,0]=4 15345 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [0,2,0,0,0,0|2,0,0]=4 15346 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [0,2,0,0,0,0|2,0,0]=4 15347 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,2,0,0,0,0|2,0,0]=4 15348 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,2,0,0,0,0|2,0,0]=4 15349 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,2,0,0,0,0|1,0,0]=3 15350 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,2,0,0,0,0|0,0,2]=4 15351 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,2,0,0,0,0|0,0,2]=4 15352 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,2,0,0,0,0|2,0,0]=4 15353 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [0,2,0,0,0,0|2,0,0]=4 15356 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [0,2,0,0,0,0|2,0,0]=4 15357 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,2,0,0,0,0|2,0,0]=4 15358 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,2,0,0,0,0|2,0,0]=4 15359 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,2,0,0,0,0|1,0,0]=3 15360 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,2,0,0,0,0|1,0,0]=3 15361 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,2,0,0,0,0|1,0,0]=3 15362 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,2,0,0,0,0|2,0,0]=4 15363 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,2,0,0,0,0|2,0,0]=4 15364 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,2,0,0,0,0|2,0,0]=4 15365 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,2,0,0,0,0|2,0,0]=4 15366 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,2,0,0,0,0|2,0,0]=4 15367 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,2,0,0,0,0|2,0,0]=4 15368 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,2,0,0,0,0|0,0,2]=4 15369 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,2,0,0,0,0|2,0,0]=4 15370 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,2,0,0,0,0|2,0,0]=4 15371 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,2,0,0,0,0|2,0,0]=4 15372 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,2,0,0,0,0|2,0,0]=4 15373 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,2,0,0,0,0|2,0,0]=4 15374 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,2,0,0,0,0|2,0,0]=4 15375 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,2,0,0,0,0|2,0,0]=4 15376 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,2,0,0,0,0|2,0,0]=4 15377 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,2,0,0,0,0|1,0,0]=3 15378 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,2,0,0,0,0|1,0,0]=3 15379 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,2,0,0,0,0|2,0,0]=4 15380 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,2,0,0,0,0|2,0,0]=4 15381 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,2,0,0,0,0|0,0,2]=4 15382 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,2,0,0,0,0|0,0,2]=4 15383 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,2,0,0,0,0|2,0,0]=4 15384 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,2,0,0,0,0|2,0,0]=4 15385 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,2,0,0,0,0|1,0,1]=4 15386 B12R0.5 CC#CCCOCCCCCCF 34a_100000750427_100015922095 [0,2,0,0,0,0|1,0,1]=4 15387 B12R0.5 CC#CCCOCCCCCCO 34a_100000750427_100000766143 [0,2,0,0,0,0|0,0,1]=3 15388 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,2,0,0,0,0|1,0,1]=4 15389 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,2,0,0,0,0|1,0,1]=4 15390 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,2,0,0,0,0|1,0,1]=4 15391 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,2,0,0,0,0|1,0,1]=4 15392 B12R0.5 CC#CCNCCCCCCCO 2230a_100000685387_100000760002 [0,2,0,0,0,0|0,0,1]=3 15393 B12R0.5 CC#CCNCCCCCCCO 2230a_100011996573_100000748600 [0,2,0,0,0,0|0,0,1]=3 15394 B12R0.5 CC#CCNCCCCCCCO 34a_100000685387_100000760002 [0,2,0,0,0,0|0,0,1]=3 15395 B12R0.5 CC#CCNCCCCCCCO 34a_100011996573_100000748600 [0,2,0,0,0,0|0,0,1]=3 15396 B12R0.5 CC#CCNCCCCCCOC 2230a_100000685387_100011998445 [0,2,0,0,0,0|0,0,2]=4 15397 B12R0.5 CC#CCNCCCCCCOC 34a_100000685387_100011998445 [0,2,0,0,0,0|0,0,2]=4 15398 B12R0.5 CC#CCNCCCOCCCO 2230a_100011310245_100000748600 [0,2,0,0,0,0|0,0,2]=4 15399 B12R0.5 CC#CCNCCCOCCCO 34a_100011310245_100000748600 [0,2,0,0,0,0|0,0,2]=4 15400 B12R0.5 CC#CCOCCCCCCCBr 34a_100000760002_100000748600 [0,2,0,0,0,0|1,0,1]=4 15401 B12R0.5 CC#CCOCCCCCCCBr 7a_100000760002_100000748600 [0,2,0,0,0,0|1,0,1]=4 15402 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,2,0,0,0,0|1,0,1]=4 15403 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,2,0,0,0,0|1,0,1]=4 15404 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,2,0,0,0,0|1,0,1]=4 15405 B12R0.5 CC#CCOCCCCCCCN 34a_100011996573_100000748600 [0,2,0,0,0,0|1,0,1]=4 15406 B12R0.5 CC#CCOCCCCCCCO 34a_100000761923_100000760002 [0,2,0,0,0,0|0,0,1]=3 15407 B12R0.5 CC#CCOCCCCCCOC 34a_100000761923_100011998445 [0,2,0,0,0,0|0,0,2]=4 15408 B12R0.5 CC#CCOCCCCCCOC 34a_200012092642_100000748600 [0,2,0,0,0,0|0,0,2]=4 15409 B12R0.5 CC#CCOCCCCCCOC 7a_200012092642_100000748600 [0,2,0,0,0,0|0,0,2]=4 15410 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,2,0,0,0,0|1,0,1]=4 15411 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,2,0,0,0,0|1,0,1]=4 15412 B12R0.5 CC#CCSCCCCCCCO 62a_100000748600_100000760002 [0,2,0,0,0,0|0,0,1]=3 15413 B12R0.5 CC#CCSCCCCCCCO 62a_100000760002_100000748600 [0,2,0,0,0,0|0,0,1]=3 15414 B12R0.5 CC#CCSCCCCCCOC 62a_100000748600_100011998445 [0,2,0,0,0,0|0,0,2]=4 15415 B12R0.5 CC#CCSCCCCCCOC 62a_100011998445_100000748600 [0,2,0,0,0,0|0,0,2]=4 15416 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,2,0,0,0,0|1,0,1]=4 15417 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,2,0,0,0,0|1,0,1]=4 15418 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [0,2,0,0,0,0|1,0,1]=4 15419 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [0,2,0,0,0,0|1,0,1]=4 15420 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [0,2,0,0,0,0|0,0,1]=3 15421 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [0,2,0,0,0,0|0,0,1]=3 15422 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [0,2,0,0,0,0|0,0,2]=4 15423 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [0,2,0,0,0,0|0,0,2]=4 15424 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,2,0,0,0,0|1,0,1]=4 15425 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,2,0,0,0,0|1,0,1]=4 15426 B12R0.5 CC/C=C\CCCCCNCCF 269862a_100000724931_100016288537 [0,2,0,0,0,0|1,0,1]=4 15427 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [0,2,0,0,0,0|0,0,1]=3 15428 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,2,0,0,0,0|1,0,1]=4 15429 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,2,0,0,0,0|1,0,1]=4 15430 B12R0.5 CC/C=C\CCCCCOCCF 34a_100016268722_100011217306 [0,2,0,0,0,0|1,0,1]=4 15431 B12R0.5 CC/C=C\CCCCCOCCF 7a_100016268722_100011217306 [0,2,0,0,0,0|1,0,1]=4 15432 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [0,2,0,0,0,0|0,0,1]=3 15433 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [0,2,0,0,0,0|0,0,1]=3 15434 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,2,0,0,0,0|1,0,1]=4 15435 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,2,0,0,0,0|1,0,1]=4 15436 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [0,2,0,0,0,0|1,0,1]=4 15437 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [0,2,0,0,0,0|1,0,1]=4 15438 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [0,2,0,0,0,0|0,0,1]=3 15439 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [0,2,0,0,0,0|0,0,1]=3 15440 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [0,2,0,0,0,0|0,0,2]=4 15441 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [0,2,0,0,0,0|0,0,2]=4 15442 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,2,0,0,0,0|1,0,1]=4 15443 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [0,2,0,0,0,0|0,0,1]=3 15444 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [0,2,0,0,0,0|0,0,1]=3 15445 B12R0.5 CC/C=C\CCNCCOCCO 2230a_100000211614_100015370543 [0,2,0,0,0,0|0,0,2]=4 15446 B12R0.5 CC/C=C\CCNCCOCCO 34a_100000211614_100015370543 [0,2,0,0,0,0|0,0,2]=4 15447 B12R0.5 CC/C=C\CCNCCSCCO 2230a_100011219999_100015370543 [0,2,0,0,0,0|0,0,2]=4 15448 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [0,2,0,0,0,0|1,0,1]=4 15449 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [0,2,0,0,0,0|1,0,1]=4 15450 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,2,0,0,0,0|1,0,1]=4 15451 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,2,0,0,0,0|1,0,1]=4 15452 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,2,0,0,0,0|1,0,1]=4 15453 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,2,0,0,0,0|1,0,1]=4 15454 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [0,2,0,0,0,0|1,0,1]=4 15455 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [0,2,0,0,0,0|1,0,1]=4 15456 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [0,2,0,0,0,0|1,0,1]=4 15457 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [0,2,0,0,0,0|1,0,1]=4 15458 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [0,2,0,0,0,0|1,0,1]=4 15459 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [0,2,0,0,0,0|1,0,1]=4 15460 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [0,2,0,0,0,0|1,0,1]=4 15461 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [0,2,0,0,0,0|0,0,1]=3 15462 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [0,2,0,0,0,0|0,0,1]=3 15463 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [0,2,0,0,0,0|0,0,2]=4 15464 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [0,2,0,0,0,0|0,0,2]=4 15465 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [0,2,0,0,0,0|0,0,2]=4 15466 B12R0.5 CC/C=C\CCOCCOCCO 34a_100016288707_100000692535 [0,2,0,0,0,0|0,0,2]=4 15467 B12R0.5 CC/C=C\CCOCCOCCO 7a_100016288707_100011215305 [0,2,0,0,0,0|0,0,2]=4 15468 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,2,0,0,0,0|1,0,1]=4 15469 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,2,0,0,0,0|1,0,1]=4 15470 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [0,2,0,0,0,0|1,0,1]=4 15471 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [0,2,0,0,0,0|1,0,1]=4 15472 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [0,2,0,0,0,0|0,0,1]=3 15473 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [0,2,0,0,0,0|0,0,1]=3 15474 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [0,2,0,0,0,0|0,0,2]=4 15475 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [0,2,0,0,0,0|0,0,2]=4 15476 B12R0.5 CC/C=C\CCSCCOCCO 62a_100011215305_100015370543 [0,2,0,0,0,0|0,0,2]=4 15477 B12R0.5 CC/C=C\CCSCCOCCO 62a_100015370543_100011215305 [0,2,0,0,0,0|0,0,2]=4 15478 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,2,0,0,0,0|1,0,1]=4 15479 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [0,2,0,0,0,0|0,0,1]=3 15480 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [0,2,0,0,0,0|0,0,1]=3 15481 B12R0.5 CC/C=C\CNCCCCCOC 2230a_100000747528_100103147603 [0,2,0,0,0,0|0,0,2]=4 15482 B12R0.5 CC/C=C\CNCCCCCOC 34a_100000747528_100103147603 [0,2,0,0,0,0|0,0,2]=4 15483 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [0,2,0,0,0,0|1,0,1]=4 15484 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [0,2,0,0,0,0|1,0,1]=4 15485 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,2,0,0,0,0|1,0,1]=4 15486 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,2,0,0,0,0|1,0,1]=4 15487 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,2,0,0,0,0|1,0,1]=4 15488 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [0,2,0,0,0,0|1,0,1]=4 15489 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [0,2,0,0,0,0|1,0,1]=4 15490 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [0,2,0,0,0,0|1,0,1]=4 15491 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [0,2,0,0,0,0|1,0,1]=4 15492 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [0,2,0,0,0,0|1,0,1]=4 15493 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [0,2,0,0,0,0|1,0,1]=4 15494 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [0,2,0,0,0,0|0,0,1]=3 15495 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,2,0,0,0,0|1,0,1]=4 15496 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,2,0,0,0,0|1,0,1]=4 15497 B12R0.5 CC/C=C\CSCCCCCCF 62a_100015922095_100103147603 [0,2,0,0,0,0|1,0,1]=4 15498 B12R0.5 CC/C=C\CSCCCCCCF 62a_100103147603_100015922095 [0,2,0,0,0,0|1,0,1]=4 15499 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [0,2,0,0,0,0|0,0,1]=3 15500 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [0,2,0,0,0,0|0,0,1]=3 15501 B12R0.5 CC=C=CCCOCCCCCO 34a_100011020354_100000746330 [0,2,0,0,0,0|0,0,2]=4 15502 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,2,0,0,0,0|1,0,1]=4 15503 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,2,0,0,0,0|1,0,1]=4 15504 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,2,0,0,0,0|0,0,1]=3 15505 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,2,0,0,0,0|0,0,2]=4 15506 B12R0.5 CC=CCCCOCCOCCO 34a_100020645299_100000692535 [0,2,0,0,0,0|0,0,2]=4 15507 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,2,0,0,0,0|1,0,1]=4 15508 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,2,0,0,0,0|1,0,1]=4 15509 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,2,0,0,0,0|0,0,1]=3 15510 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,2,0,0,0,0|0,0,1]=3 15511 B12R0.5 CC=CCNCCCOCCCO 2230a_100011310245_100000070051 [0,2,0,0,0,0|0,0,2]=4 15512 B12R0.5 CC=CCNCCCOCCCO 34a_100011310245_100000070051 [0,2,0,0,0,0|0,0,2]=4 15513 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,2,0,0,0,0|1,0,1]=4 15514 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,2,0,0,0,0|1,0,1]=4 15515 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,2,0,0,0,0|1,0,1]=4 15516 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,2,0,0,0,0|1,0,1]=4 15517 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,2,0,0,0,0|1,0,1]=4 15518 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,2,0,0,0,0|0,0,2]=4 15519 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,2,0,0,0,0|0,0,2]=4 15520 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,2,0,0,0,0|1,0,1]=4 15521 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,2,0,0,0,0|1,0,1]=4 15522 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,2,0,0,0,0|0,0,1]=3 15523 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,2,0,0,0,0|0,0,1]=3 15524 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,2,0,0,0,0|0,0,2]=4 15525 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,2,0,0,0,0|0,0,2]=4 15526 B12R0.5 CCC#CCCCCCCNCC 2230a_100015525214_200000036426 [0,2,0,0,0,0|1,0,1]=4 15527 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [0,2,0,0,0,0|0,0,2]=4 15528 B12R0.5 CCC#CCCCCCCSCC 62a_100000210202_200000036426 [0,2,0,0,0,0|1,0,1]=4 15529 B12R0.5 CCC#CCCCCCCSCC 62a_200000036426_100000210202 [0,2,0,0,0,0|1,0,1]=4 15530 B12R0.5 CCC#CCCCCCCSCF 62a_100015361967_200000036426 [0,2,0,0,0,0|1,0,1]=4 15531 B12R0.5 CCC#CCCCCCCSCF 62a_200000036426_100015361967 [0,2,0,0,0,0|1,0,1]=4 15532 B12R0.5 CCC#CCCOCCCCCC 34a_100000036655_100000210314 [0,2,0,0,0,0|1,0,1]=4 15533 B12R0.5 CCC#CCCOCCCCCC 7a_100000036655_100000210314 [0,2,0,0,0,0|1,0,1]=4 15534 B12R0.5 CCC#CCCOCCCCCF 34a_100000036655_100000729378 [0,2,0,0,0,0|1,0,1]=4 15535 B12R0.5 CCC#CCCOCCCCCF 7a_100000036655_100000729378 [0,2,0,0,0,0|1,0,1]=4 15536 B12R0.5 CCC#CCCOCCCCCO 34a_100000036655_100000746330 [0,2,0,0,0,0|0,0,1]=3 15537 B12R0.5 CCC#CCCOCCCCCO 7a_100000036655_100000746330 [0,2,0,0,0,0|0,0,1]=3 15538 B12R0.5 CCC#CCCOCCCCOC 34a_100000036655_100000755781 [0,2,0,0,0,0|0,0,2]=4 15539 B12R0.5 CCC#CCCOCCCCOC 7a_100000036655_100000730899 [0,2,0,0,0,0|0,0,2]=4 15540 B12R0.5 CCC#CCCOCCOCCO 34a_100000036655_100000692535 [0,2,0,0,0,0|0,0,2]=4 15541 B12R0.5 CCC#CCCOCCOCCO 7a_100000036655_100011215305 [0,2,0,0,0,0|0,0,2]=4 15542 B12R0.5 CCC#CCNCCCCCCC 2230a_100000229938_100009813939 [0,2,0,0,0,0|1,0,1]=4 15543 B12R0.5 CCC#CCNCCCCCCO 2230a_100000686447_100009813939 [0,2,0,0,0,0|0,0,1]=3 15544 B12R0.5 CCC#CCNCCCCCCO 34a_100000686447_100009813939 [0,2,0,0,0,0|0,0,1]=3 15545 B12R0.5 CCC#CCNCCCCCOC 2230a_100000747528_100009813939 [0,2,0,0,0,0|0,0,2]=4 15546 B12R0.5 CCC#CCNCCCCCOC 34a_100000747528_100009813939 [0,2,0,0,0,0|0,0,2]=4 15547 B12R0.5 CCC#CCOCCCCCCBr 34a_100011215345_100009813939 [0,2,0,0,0,0|1,0,1]=4 15548 B12R0.5 CCC#CCOCCCCCCBr 7a_100011215345_100009813939 [0,2,0,0,0,0|1,0,1]=4 15549 B12R0.5 CCC#CCOCCCCCCC 34a_100000032950_100000210614 [0,2,0,0,0,0|1,0,1]=4 15550 B12R0.5 CCC#CCOCCCCCCC 34a_100000210272_100009813939 [0,2,0,0,0,0|1,0,1]=4 15551 B12R0.5 CCC#CCOCCCCCCC 7a_100000210272_100009813939 [0,2,0,0,0,0|1,0,1]=4 15552 B12R0.5 CCC#CCOCCCCCCCl 34a_100000766143_100009813939 [0,2,0,0,0,0|1,0,1]=4 15553 B12R0.5 CCC#CCOCCCCCCCl 7a_100000766143_100009813939 [0,2,0,0,0,0|1,0,1]=4 15554 B12R0.5 CCC#CCOCCCCCCF 34a_100000032950_100015922095 [0,2,0,0,0,0|1,0,1]=4 15555 B12R0.5 CCC#CCOCCCCCCF 34a_100000732779_100009813939 [0,2,0,0,0,0|1,0,1]=4 15556 B12R0.5 CCC#CCOCCCCCCF 7a_100000732779_100009813939 [0,2,0,0,0,0|1,0,1]=4 15557 B12R0.5 CCC#CCOCCCCCCN 34a_100000686447_100009813939 [0,2,0,0,0,0|1,0,1]=4 15558 B12R0.5 CCC#CCOCCCCCCO 34a_100000032950_100000766143 [0,2,0,0,0,0|0,0,1]=3 15559 B12R0.5 CCC#CCSCCCCCCC 62a_100000210614_100009813939 [0,2,0,0,0,0|1,0,1]=4 15560 B12R0.5 CCC#CCSCCCCCCC 62a_100009813939_100000210316 [0,2,0,0,0,0|1,0,1]=4 15561 B12R0.5 CCC#CCSCCCCCCF 62a_100009813939_100015922095 [0,2,0,0,0,0|1,0,1]=4 15562 B12R0.5 CCC#CCSCCCCCCF 62a_100015922095_100009813939 [0,2,0,0,0,0|1,0,1]=4 15563 B12R0.5 CCC#CCSCCCCCCO 62a_100000766143_100009813939 [0,2,0,0,0,0|0,0,1]=3 15564 B12R0.5 CCC#CCSCCCCCCO 62a_100009813939_100000766143 [0,2,0,0,0,0|0,0,1]=3 15565 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [0,2,0,0,0,0|1,0,1]=4 15566 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [0,2,0,0,0,0|1,0,1]=4 15567 B12R0.5 CCC/C=C/COCCCCCF 34a_100016278788_100000729378 [0,2,0,0,0,0|1,0,1]=4 15568 B12R0.5 CCC/C=C/COCCCCCF 7a_100016278788_100000729378 [0,2,0,0,0,0|1,0,1]=4 15569 B12R0.5 CCC/C=C/COCCCCCO 34a_100016278788_100000746330 [0,2,0,0,0,0|0,0,1]=3 15570 B12R0.5 CCC/C=C/COCCCCCO 7a_100016278788_100000746330 [0,2,0,0,0,0|0,0,1]=3 15571 B12R0.5 CCC/C=C/COCCCCOC 34a_100016278788_100000755781 [0,2,0,0,0,0|0,0,2]=4 15572 B12R0.5 CCC/C=C/COCCCCOC 7a_100016278788_100000730899 [0,2,0,0,0,0|0,0,2]=4 15573 B12R0.5 CCC/C=C/COCCOCCO 34a_100016278788_100000692535 [0,2,0,0,0,0|0,0,2]=4 15574 B12R0.5 CCC/C=C/COCCOCCO 7a_100016278788_100011215305 [0,2,0,0,0,0|0,0,2]=4 15575 B12R0.5 CCCC#CCCOCCCCC 34a_100000042726_100000718602 [0,2,0,0,0,0|1,0,1]=4 15576 B12R0.5 CCCC#CCCOCCCCC 7a_100000042726_100000210326 [0,2,0,0,0,0|1,0,1]=4 15577 B12R0.5 CCCC#CCCOCCCCF 34a_100000042726_100000729493 [0,2,0,0,0,0|1,0,1]=4 15578 B12R0.5 CCCC#CCCOCCCCF 7a_100000042726_100000729493 [0,2,0,0,0,0|1,0,1]=4 15579 B12R0.5 CCCC#CCCOCCCCO 34a_100000042726_100011216708 [0,2,0,0,0,0|0,0,1]=3 15580 B12R0.5 CCCC#CCCOCCCCO 7a_100000042726_100000210776 [0,2,0,0,0,0|0,0,1]=3 15581 B12R0.5 CCCC#CCCOCCCOC 34a_100000042726_100000740836 [0,2,0,0,0,0|0,0,2]=4 15582 B12R0.5 CCCC#CCCOCCCOC 7a_100000042726_100000740836 [0,2,0,0,0,0|0,0,2]=4 15583 B12R0.5 CCCC#CCOCCCCCC 34a_100000034806_100000210314 [0,2,0,0,0,0|1,0,1]=4 15584 B12R0.5 CCCC#CCOCCCCCC 7a_100000034806_100000210314 [0,2,0,0,0,0|1,0,1]=4 15585 B12R0.5 CCCC#CCOCCCCCF 34a_100000034806_100000729378 [0,2,0,0,0,0|1,0,1]=4 15586 B12R0.5 CCCC#CCOCCCCCF 7a_100000034806_100000729378 [0,2,0,0,0,0|1,0,1]=4 15587 B12R0.5 CCCC#CCOCCCCCO 34a_100000034806_100000746330 [0,2,0,0,0,0|0,0,1]=3 15588 B12R0.5 CCCC#CCOCCCCCO 7a_100000034806_100000746330 [0,2,0,0,0,0|0,0,1]=3 15589 B12R0.5 CCCC#CCOCCCCOC 34a_100000034806_100000755781 [0,2,0,0,0,0|0,0,2]=4 15590 B12R0.5 CCCC#CCOCCCCOC 7a_100000034806_100000730899 [0,2,0,0,0,0|0,0,2]=4 15591 B12R0.5 CCCC#CCOCCOCCO 34a_100000034806_100000692535 [0,2,0,0,0,0|0,0,2]=4 15592 B12R0.5 CCCC#CCOCCOCCO 7a_100000034806_100011215305 [0,2,0,0,0,0|0,0,2]=4 15593 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [0,2,0,0,0,0|0,0,2]=4 15594 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [0,2,0,0,0,0|0,0,2]=4 15595 B12R0.5 CCCC/C=C/CCCCOCF 34a_200020645093_100015361967 [0,2,0,0,0,0|0,0,2]=4 15596 B12R0.5 CCCC/C=C/CCCCOCF 7a_200020645093_100015361967 [0,2,0,0,0,0|0,0,2]=4 15597 B12R0.5 CCCC/C=C/COCCCCC 34a_200016272032_100000718602 [0,2,0,0,0,0|1,0,1]=4 15598 B12R0.5 CCCC/C=C/COCCCCC 7a_200016272032_100000210326 [0,2,0,0,0,0|1,0,1]=4 15599 B12R0.5 CCCC/C=C/COCCCCF 34a_200016272032_100000729493 [0,2,0,0,0,0|1,0,1]=4 15600 B12R0.5 CCCC/C=C/COCCCCF 7a_200016272032_100000729493 [0,2,0,0,0,0|1,0,1]=4 15601 B12R0.5 CCCC/C=C/COCCCCO 34a_200016272032_100011216708 [0,2,0,0,0,0|0,0,1]=3 15602 B12R0.5 CCCC/C=C/COCCCCO 7a_200016272032_100000210776 [0,2,0,0,0,0|0,0,1]=3 15603 B12R0.5 CCCC/C=C/COCCCOC 34a_200016272032_100000740836 [0,2,0,0,0,0|0,0,2]=4 15604 B12R0.5 CCCC/C=C/COCCCOC 7a_200016272032_100000740836 [0,2,0,0,0,0|0,0,2]=4 15605 B12R0.5 CCCC/C=C\CCOCCCC 34a_200016286491_100000210210 [0,2,0,0,0,0|1,0,1]=4 15606 B12R0.5 CCCC/C=C\CCOCCCC 7a_200016286491_100000210211 [0,2,0,0,0,0|1,0,1]=4 15607 B12R0.5 CCCC/C=C\CCOCCCF 34a_200016286491_100011934791 [0,2,0,0,0,0|1,0,1]=4 15608 B12R0.5 CCCC/C=C\CCOCCCF 7a_200016286491_100011934791 [0,2,0,0,0,0|1,0,1]=4 15609 B12R0.5 CCCC/C=C\CCOCCCO 34a_200016286491_100000230001 [0,2,0,0,0,0|0,0,1]=3 15610 B12R0.5 CCCC/C=C\CCOCCCO 7a_200016286491_100011215043 [0,2,0,0,0,0|0,0,1]=3 15611 B12R0.5 CCCC/C=C\CCOCCOC 34a_200016286491_100011201679 [0,2,0,0,0,0|0,0,2]=4 15612 B12R0.5 CCCC/C=C\CCOCCOC 7a_200016286491_100000233755 [0,2,0,0,0,0|0,0,2]=4 15613 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [0,2,0,0,0,0|0,0,2]=4 15614 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [0,2,0,0,0,0|0,0,2]=4 15615 B12R0.5 CCCCC#CCCCCOCF 34a_200000066234_100015361967 [0,2,0,0,0,0|0,0,2]=4 15616 B12R0.5 CCCCC#CCCCCOCF 7a_200000066234_100015361967 [0,2,0,0,0,0|0,0,2]=4 15617 B12R0.5 CCCCC#CCCCNCCF 34a_100000724931_200000047210 [0,2,0,0,0,0|1,0,1]=4 15618 B12R0.5 CCCCC#CCCCNCCO 2230a_100016997473_200000047210 [0,2,0,0,0,0|0,0,1]=3 15619 B12R0.5 CCCCC#CCCCNCCO 34a_100016990907_200000047210 [0,2,0,0,0,0|0,0,1]=3 15620 B12R0.5 CCCCC#CCCCOCCBr 34a_100000211926_200000047210 [0,2,0,0,0,0|1,0,1]=4 15621 B12R0.5 CCCCC#CCCCOCCC 34a_100000210258_200000047210 [0,2,0,0,0,0|1,0,1]=4 15622 B12R0.5 CCCCC#CCCCOCCN 34a_100000210304_200000047210 [0,2,0,0,0,0|1,0,1]=4 15623 B12R0.5 CCCCC#CCCCSCCC 62a_100000210303_200000047210 [0,2,0,0,0,0|1,0,1]=4 15624 B12R0.5 CCCCC#CCCCSCCC 62a_200000047210_100000210303 [0,2,0,0,0,0|1,0,1]=4 15625 B12R0.5 CCCCC#CCCCSCCF 62a_100011217306_200000047210 [0,2,0,0,0,0|1,0,1]=4 15626 B12R0.5 CCCCC#CCCCSCCF 62a_200000047210_100011217306 [0,2,0,0,0,0|1,0,1]=4 15627 B12R0.5 CCCCC#CCCCSCCO 62a_100000211926_200000047210 [0,2,0,0,0,0|0,0,1]=3 15628 B12R0.5 CCCCC#CCCCSCCO 62a_200000047210_100000211926 [0,2,0,0,0,0|0,0,1]=3 15629 B12R0.5 CCCCC#CCCCSCOC 62a_100000766300_200000047210 [0,2,0,0,0,0|0,0,2]=4 15630 B12R0.5 CCCCC#CCCCSCOC 62a_200000047210_100000766300 [0,2,0,0,0,0|0,0,2]=4 15631 B12R0.5 CCCCC#CCCOCCCC 34a_100000037610_100000210210 [0,2,0,0,0,0|1,0,1]=4 15632 B12R0.5 CCCCC#CCCOCCCC 7a_100000037610_100000210211 [0,2,0,0,0,0|1,0,1]=4 15633 B12R0.5 CCCCC#CCCOCCCF 34a_100000037610_100011934791 [0,2,0,0,0,0|1,0,1]=4 15634 B12R0.5 CCCCC#CCCOCCCF 7a_100000037610_100011934791 [0,2,0,0,0,0|1,0,1]=4 15635 B12R0.5 CCCCC#CCCOCCCO 34a_100000037610_100000230001 [0,2,0,0,0,0|0,0,1]=3 15636 B12R0.5 CCCCC#CCCOCCCO 7a_100000037610_100011215043 [0,2,0,0,0,0|0,0,1]=3 15637 B12R0.5 CCCCC#CCCOCCOC 34a_100000037610_100011201679 [0,2,0,0,0,0|0,0,2]=4 15638 B12R0.5 CCCCC#CCCOCCOC 7a_100000037610_100000233755 [0,2,0,0,0,0|0,0,2]=4 15639 B12R0.5 CCCCC#CCOCCCCC 34a_200000034558_100000718602 [0,2,0,0,0,0|1,0,1]=4 15640 B12R0.5 CCCCC#CCOCCCCC 7a_200000034558_100000210326 [0,2,0,0,0,0|1,0,1]=4 15641 B12R0.5 CCCCC#CCOCCCCF 34a_200000034558_100000729493 [0,2,0,0,0,0|1,0,1]=4 15642 B12R0.5 CCCCC#CCOCCCCF 7a_200000034558_100000729493 [0,2,0,0,0,0|1,0,1]=4 15643 B12R0.5 CCCCC#CCOCCCCO 34a_200000034558_100011216708 [0,2,0,0,0,0|0,0,1]=3 15644 B12R0.5 CCCCC#CCOCCCCO 7a_200000034558_100000210776 [0,2,0,0,0,0|0,0,1]=3 15645 B12R0.5 CCCCC#CCOCCCOC 34a_200000034558_100000740836 [0,2,0,0,0,0|0,0,2]=4 15646 B12R0.5 CCCCC#CCOCCCOC 7a_200000034558_100000740836 [0,2,0,0,0,0|0,0,2]=4 15647 B12R0.5 CCCCC/C=C/COCCCC 34a_100016258190_100000210210 [0,2,0,0,0,0|1,0,1]=4 15648 B12R0.5 CCCCC/C=C/COCCCC 7a_100016258190_100000210211 [0,2,0,0,0,0|1,0,1]=4 15649 B12R0.5 CCCCC/C=C/COCCCF 34a_100016258190_100011934791 [0,2,0,0,0,0|1,0,1]=4 15650 B12R0.5 CCCCC/C=C/COCCCF 7a_100016258190_100011934791 [0,2,0,0,0,0|1,0,1]=4 15651 B12R0.5 CCCCC/C=C/COCCCO 34a_100016258190_100000230001 [0,2,0,0,0,0|0,0,1]=3 15652 B12R0.5 CCCCC/C=C/COCCCO 7a_100016258190_100011215043 [0,2,0,0,0,0|0,0,1]=3 15653 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [0,2,0,0,0,0|0,0,2]=4 15654 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [0,2,0,0,0,0|0,0,2]=4 15655 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [0,2,0,0,0,0|0,0,2]=4 15656 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [0,2,0,0,0,0|0,0,2]=4 15657 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [0,2,0,0,0,0|0,0,2]=4 15658 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [0,2,0,0,0,0|0,0,2]=4 15659 B12R0.5 CCCCC/C=C\CCOCCC 34a_100016277358_100000210303 [0,2,0,0,0,0|1,0,1]=4 15660 B12R0.5 CCCCC/C=C\CCOCCC 7a_100016277358_100000210303 [0,2,0,0,0,0|1,0,1]=4 15661 B12R0.5 CCCCC/C=C\CCOCCF 34a_100016277358_100011217306 [0,2,0,0,0,0|1,0,1]=4 15662 B12R0.5 CCCCC/C=C\CCOCCF 7a_100016277358_100011217306 [0,2,0,0,0,0|1,0,1]=4 15663 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [0,2,0,0,0,0|0,0,1]=3 15664 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [0,2,0,0,0,0|0,0,1]=3 15665 B12R0.5 CCCCCC#CCCOCCC 34a_200000042877_100000210303 [0,2,0,0,0,0|1,0,1]=4 15666 B12R0.5 CCCCCC#CCCOCCC 7a_200000042877_100000210303 [0,2,0,0,0,0|1,0,1]=4 15667 B12R0.5 CCCCCC#CCCOCCF 34a_200000042877_100011217306 [0,2,0,0,0,0|1,0,1]=4 15668 B12R0.5 CCCCCC#CCCOCCF 7a_200000042877_100011217306 [0,2,0,0,0,0|1,0,1]=4 15669 B12R0.5 CCCCCC#CCCOCCO 34a_200000042877_100000211926 [0,2,0,0,0,0|0,0,1]=3 15670 B12R0.5 CCCCCC#CCCOCCO 7a_200000042877_100000211926 [0,2,0,0,0,0|0,0,1]=3 15671 B12R0.5 CCCCCC#CCNCCCC 2230a_100000102301_100009816472 [0,2,0,0,0,0|1,0,1]=4 15672 B12R0.5 CCCCCC#CCNCCCC 7a_106832991798_100009816472 [0,2,0,0,0,0|1,0,1]=4 15673 B12R0.5 CCCCCC#CCNCCCF 2230a_100015189416_100009816472 [0,2,0,0,0,0|1,0,1]=4 15674 B12R0.5 CCCCCC#CCNCCCF 34a_100015189416_100009816472 [0,2,0,0,0,0|1,0,1]=4 15675 B12R0.5 CCCCCC#CCNCCOC 2230a_100000209980_100009816472 [0,2,0,0,0,0|0,0,2]=4 15676 B12R0.5 CCCCCC#CCOCCCBr 34a_100011217188_100009816472 [0,2,0,0,0,0|1,0,1]=4 15677 B12R0.5 CCCCCC#CCOCCCC 34a_100000210227_100009816472 [0,2,0,0,0,0|1,0,1]=4 15678 B12R0.5 CCCCCC#CCOCCCC 34a_200000033628_100000210210 [0,2,0,0,0,0|1,0,1]=4 15679 B12R0.5 CCCCCC#CCOCCCC 7a_100000210227_100009816472 [0,2,0,0,0,0|1,0,1]=4 15680 B12R0.5 CCCCCC#CCOCCCC 7a_200000033628_100000210211 [0,2,0,0,0,0|1,0,1]=4 15681 B12R0.5 CCCCCC#CCOCCCCl 34a_100000230001_100009816472 [0,2,0,0,0,0|1,0,1]=4 15682 B12R0.5 CCCCCC#CCOCCCF 34a_100000759539_100009816472 [0,2,0,0,0,0|1,0,1]=4 15683 B12R0.5 CCCCCC#CCOCCCF 34a_200000033628_100011934791 [0,2,0,0,0,0|1,0,1]=4 15684 B12R0.5 CCCCCC#CCOCCCF 7a_200000033628_100011934791 [0,2,0,0,0,0|1,0,1]=4 15685 B12R0.5 CCCCCC#CCOCCCN 34a_100000182051_100009816472 [0,2,0,0,0,0|1,0,1]=4 15686 B12R0.5 CCCCCC#CCOCCCO 34a_200000033628_100000230001 [0,2,0,0,0,0|0,0,1]=3 15687 B12R0.5 CCCCCC#CCOCCCO 7a_200000033628_100011215043 [0,2,0,0,0,0|0,0,1]=3 15688 B12R0.5 CCCCCC#CCOCCOC 34a_100000210237_100009816472 [0,2,0,0,0,0|0,0,2]=4 15689 B12R0.5 CCCCCC#CCOCCOC 34a_200000033628_100011201679 [0,2,0,0,0,0|0,0,2]=4 15690 B12R0.5 CCCCCC#CCOCCOC 7a_200000033628_100000233755 [0,2,0,0,0,0|0,0,2]=4 15691 B12R0.5 CCCCCC#CCOCCON 34a_100000700252_100009816472 [0,2,0,0,0,0|0,0,2]=4 15692 B12R0.5 CCCCCC#CCSCCCC 62a_100000210211_100009816472 [0,2,0,0,0,0|1,0,1]=4 15693 B12R0.5 CCCCCC#CCSCCCC 62a_100009816472_100000210210 [0,2,0,0,0,0|1,0,1]=4 15694 B12R0.5 CCCCCC#CCSCCCF 62a_100009816472_100011934791 [0,2,0,0,0,0|1,0,1]=4 15695 B12R0.5 CCCCCC#CCSCCCF 62a_100011934791_100009816472 [0,2,0,0,0,0|1,0,1]=4 15696 B12R0.5 CCCCCC#CCSCCCO 62a_100009816472_100011215043 [0,2,0,0,0,0|0,0,1]=3 15697 B12R0.5 CCCCCC#CCSCCCO 62a_100011215043_100009816472 [0,2,0,0,0,0|0,0,1]=3 15698 B12R0.5 CCCCCC#CCSCCOC 62a_100000233755_100009816472 [0,2,0,0,0,0|0,0,2]=4 15699 B12R0.5 CCCCCC#CCSCCOC 62a_100009816472_100000233755 [0,2,0,0,0,0|0,0,2]=4 15700 B12R0.5 CCCCCC/C=C/COCCC 34a_200016276170_100000210303 [0,2,0,0,0,0|1,0,1]=4 15701 B12R0.5 CCCCCC/C=C/COCCC 7a_200016276170_100000210303 [0,2,0,0,0,0|1,0,1]=4 15702 B12R0.5 CCCCCC/C=C/COCCF 34a_200016276170_100011217306 [0,2,0,0,0,0|1,0,1]=4 15703 B12R0.5 CCCCCC/C=C/COCCF 7a_200016276170_100011217306 [0,2,0,0,0,0|1,0,1]=4 15704 B12R0.5 CCCCCC/C=C/COCCO 34a_200016276170_100000211926 [0,2,0,0,0,0|0,0,1]=3 15705 B12R0.5 CCCCCC/C=C/COCCO 7a_200016276170_100000211926 [0,2,0,0,0,0|0,0,1]=3 15706 B12R0.5 CCCCCC=NNCCCCC 4a_100000694160_100000737632 [0,2,0,0,0,0|1,0,1]=4 15707 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [0,2,0,0,0,0|0,0,2]=4 15708 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [0,2,0,0,0,0|0,0,2]=4 15709 B12R0.5 CCCCCCC#CCCOCF 34a_200000033163_100015361967 [0,2,0,0,0,0|0,0,2]=4 15710 B12R0.5 CCCCCCC#CCCOCF 7a_200000033163_100015361967 [0,2,0,0,0,0|0,0,2]=4 15711 B12R0.5 CCCCCCC#CCOCCC 34a_200000037284_100000210303 [0,2,0,0,0,0|1,0,1]=4 15712 B12R0.5 CCCCCCC#CCOCCC 7a_200000037284_100000210303 [0,2,0,0,0,0|1,0,1]=4 15713 B12R0.5 CCCCCCC#CCOCCF 34a_200000037284_100011217306 [0,2,0,0,0,0|1,0,1]=4 15714 B12R0.5 CCCCCCC#CCOCCF 7a_200000037284_100011217306 [0,2,0,0,0,0|1,0,1]=4 15715 B12R0.5 CCCCCCC#CCOCCO 34a_200000037284_100000211926 [0,2,0,0,0,0|0,0,1]=3 15716 B12R0.5 CCCCCCC#CCOCCO 7a_200000037284_100000211926 [0,2,0,0,0,0|0,0,1]=3 15717 B12R0.5 CCCCCCC=NNCCCC 4a_100025702795_100000234349 [0,2,0,0,0,0|1,0,1]=4 15718 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [0,2,0,0,0,0|0,0,2]=4 15719 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [0,2,0,0,0,0|0,0,2]=4 15720 B12R0.5 CCCCCCCC#CCOCF 34a_200000061759_100015361967 [0,2,0,0,0,0|0,0,2]=4 15721 B12R0.5 CCCCCCCC#CCOCF 7a_200000061759_100015361967 [0,2,0,0,0,0|0,0,2]=4 15722 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,2,0,0,0,0|0,0,1]=3 15723 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,2,0,0,0,0|0,0,1]=3 15724 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,2,0,0,0,0|0,0,1]=3 15725 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,2,0,0,0,0|0,0,1]=3 15726 B12R0.5 CCCCCCCC=NNCCC 4a_100000740057_100000210592 [0,2,0,0,0,0|1,0,1]=4 15727 B12R0.5 CCCCCCCC=NNCCO 4a_100000210001_100000210592 [0,2,0,0,0,0|0,0,1]=3 15728 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [0,2,0,0,0,0|1,0,1]=4 15729 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,2,0,0,0,0|1,0,0]=3 15730 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,2,0,0,0,0|1,0,0]=3 15731 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,2,0,0,0,0|1,0,0]=3 15732 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,2,0,0,0,0|1,0,0]=3 15733 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,2,0,0,0,0|1,0,0]=3 15734 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,2,0,0,0,0|1,0,0]=3 15735 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,2,0,0,0,0|1,0,0]=3 15736 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,2,0,0,0,0|0,0,0]=2 15737 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,2,0,0,0,0|0,0,0]=2 15738 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,2,0,0,0,0|0,0,0]=2 15739 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,2,0,0,0,0|0,0,0]=2 15740 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,2,0,0,0,0|0,0,0]=2 15741 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,2,0,0,0,0|0,1,0]=3 15742 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,2,0,0,0,0|0,1,0]=3 15743 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,2,0,0,0,0|1,0,0]=3 15744 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,2,0,0,0,0|1,0,0]=3 15745 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,2,0,0,0,0|1,0,0]=3 15746 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,2,0,0,0,0|1,0,0]=3 15747 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,2,0,0,0,0|0,0,0]=2 15748 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,2,0,0,0,0|0,0,0]=2 15749 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,2,0,0,0,0|0,0,0]=2 15750 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,2,0,0,0,0|0,0,0]=2 15751 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,2,0,0,0,0|0,0,0]=2 15752 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,2,0,0,0,0|0,1,0]=3 15753 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,2,0,0,0,0|0,1,0]=3 15754 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,2,0,0,0,0|1,0,0]=3 15755 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,2,0,0,0,0|0,0,1]=3 15756 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,2,0,0,0,0|0,0,1]=3 15757 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,2,0,0,0,0|1,0,0]=3 15758 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,2,0,0,0,0|1,0,0]=3 15759 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,2,0,0,0,0|1,0,0]=3 15760 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,2,0,0,0,0|1,0,0]=3 15761 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,2,0,0,0,0|1,0,0]=3 15762 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,2,0,0,0,0|0,0,0]=2 15763 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,2,0,0,0,0|0,0,0]=2 15764 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,2,0,0,0,0|0,0,0]=2 15765 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,2,0,0,0,0|0,0,0]=2 15766 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,2,0,0,0,0|0,0,0]=2 15767 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,2,0,0,0,0|0,1,0]=3 15768 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,2,0,0,0,0|0,1,0]=3 15769 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,2,0,0,0,0|1,0,0]=3 15770 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,2,0,0,0,0|0,0,1]=3 15771 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,2,0,0,0,0|0,0,1]=3 15772 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,2,0,0,0,0|1,0,0]=3 15773 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,2,0,0,0,0|1,0,0]=3 15774 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,2,0,0,0,0|1,0,0]=3 15775 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,2,0,0,0,0|1,0,0]=3 15776 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,2,0,0,0,0|1,0,0]=3 15777 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,2,0,0,0,0|1,0,0]=3 15778 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,2,0,0,0,0|1,0,0]=3 15779 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,2,0,0,0,0|0,0,0]=2 15780 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,2,0,0,0,0|0,0,0]=2 15781 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,2,0,0,0,0|0,1,0]=3 15782 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,2,0,0,0,0|1,0,0]=3 15783 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,2,0,0,0,0|0,0,1]=3 15784 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,2,0,0,0,0|1,0,0]=3 15785 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,2,0,0,0,0|1,0,0]=3 15786 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,2,0,0,0,0|0,0,0]=2 15787 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,2,0,0,0,0|0,0,0]=2 15788 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,2,0,0,0,0|0,1,0]=3 15789 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,2,0,0,0,0|1,0,0]=3 15790 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,2,0,0,0,0|1,0,0]=3 15791 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,2,0,0,0,0|1,0,0]=3 15792 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,2,0,0,0,0|1,0,0]=3 15793 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,2,0,0,0,0|1,0,0]=3 15794 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,2,0,0,0,0|1,0,0]=3 15795 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,2,0,0,0,0|1,0,0]=3 15796 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,2,0,0,0,0|1,0,0]=3 15797 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,2,0,0,0,0|1,0,0]=3 15798 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,2,0,0,0,0|0,0,0]=2 15799 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,2,0,0,0,0|0,0,0]=2 15800 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,2,0,0,0,0|0,0,0]=2 15801 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,2,0,0,0,0|0,0,0]=2 15802 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,2,0,0,0,0|0,0,0]=2 15803 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,2,0,0,0,0|0,1,0]=3 15804 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,2,0,0,0,0|0,1,0]=3 15805 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,2,0,0,0,0|0,1,0]=3 15806 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,2,0,0,0,0|1,0,0]=3 15807 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,2,0,0,0,0|1,0,0]=3 15808 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,2,0,0,0,0|1,0,0]=3 15809 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,2,0,0,0,0|1,0,0]=3 15810 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,2,0,0,0,0|1,0,0]=3 15811 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,2,0,0,0,0|1,0,0]=3 15812 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,2,0,0,0,0|1,0,0]=3 15813 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,2,0,0,0,0|1,0,0]=3 15814 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,2,0,0,0,0|1,0,0]=3 15815 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,2,0,0,0,0|1,0,0]=3 15816 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,2,0,0,0,0|1,0,0]=3 15817 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,2,0,0,0,0|0,0,0]=2 15818 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,2,0,0,0,0|0,0,0]=2 15819 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,2,0,0,0,0|0,0,0]=2 15820 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,2,0,0,0,0|0,0,0]=2 15821 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,2,0,0,0,0|0,0,0]=2 15822 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,2,0,0,0,0|0,0,0]=2 15823 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,2,0,0,0,0|0,1,0]=3 15824 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,2,0,0,0,0|0,1,0]=3 15825 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,2,0,0,0,0|0,1,0]=3 15826 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,2,0,0,0,0|0,1,0]=3 15827 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,2,0,0,0,0|1,0,0]=3 15828 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,2,0,0,0,0|1,0,0]=3 15829 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,2,0,0,0,0|1,0,0]=3 15830 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,2,0,0,0,0|1,0,0]=3 15831 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,2,0,0,0,0|1,0,0]=3 15832 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,2,0,0,0,0|1,0,0]=3 15833 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,2,0,0,0,0|0,0,0]=2 15834 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,2,0,0,0,0|0,0,0]=2 15835 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,2,0,0,0,0|0,0,0]=2 15836 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,2,0,0,0,0|0,0,0]=2 15837 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,2,0,0,0,0|0,1,0]=3 15838 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,2,0,0,0,0|0,1,0]=3 15839 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,2,0,0,0,0|1,0,0]=3 15840 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,2,0,0,0,0|1,0,0]=3 15841 B12R0.5 CCCCCCCCSCSC#N 62a_100000210759_100000211825 [0,2,0,0,0,0|1,0,1]=4 15842 B12R0.5 CCCCCCCCSCSC#N 62a_100000211825_100000210317 [0,2,0,0,0,0|1,0,1]=4 15843 B12R0.5 CCCCCCCNCC#CCO 2230a_100000229938_200000047223 [0,2,0,0,0,0|0,0,1]=3 15844 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,2,0,0,0,0|1,0,0]=3 15845 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,2,0,0,0,0|0,0,1]=3 15846 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,2,0,0,0,0|1,0,0]=3 15847 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,2,0,0,0,0|1,0,0]=3 15848 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,2,0,0,0,0|1,0,0]=3 15849 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,2,0,0,0,0|0,0,0]=2 15850 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,2,0,0,0,0|0,0,0]=2 15851 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,2,0,0,0,0|0,0,0]=2 15852 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,2,0,0,0,0|0,0,0]=2 15853 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,2,0,0,0,0|0,0,0]=2 15854 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,2,0,0,0,0|0,1,0]=3 15855 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,2,0,0,0,0|1,0,0]=3 15856 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,2,0,0,0,0|1,0,0]=3 15857 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,2,0,0,0,0|1,0,0]=3 15858 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,2,0,0,0,0|1,0,0]=3 15859 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,2,0,0,0,0|1,0,0]=3 15860 B12R0.5 CCCCCCCOCC#CCCl 34a_200000047223_100000210614 [0,2,0,0,0,0|1,0,1]=4 15861 B12R0.5 CCCCCCCOCC#CCO 34a_100000210272_200000047223 [0,2,0,0,0,0|0,0,1]=3 15862 B12R0.5 CCCCCCCOCC#CCO 7a_100000210272_200000047223 [0,2,0,0,0,0|0,0,1]=3 15863 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,2,0,0,0,0|1,0,0]=3 15864 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,2,0,0,0,0|0,0,1]=3 15865 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,2,0,0,0,0|1,0,0]=3 15866 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,2,0,0,0,0|1,0,0]=3 15867 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,2,0,0,0,0|1,0,0]=3 15868 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,2,0,0,0,0|1,0,0]=3 15869 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,2,0,0,0,0|1,0,0]=3 15870 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,2,0,0,0,0|1,0,0]=3 15871 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,2,0,0,0,0|1,0,0]=3 15872 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,2,0,0,0,0|1,0,0]=3 15873 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,2,0,0,0,0|1,0,0]=3 15874 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,2,0,0,0,0|1,0,0]=3 15875 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,2,0,0,0,0|1,0,0]=3 15876 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,2,0,0,0,0|1,0,0]=3 15877 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,2,0,0,0,0|1,0,0]=3 15878 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,2,0,0,0,0|0,0,0]=2 15879 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,2,0,0,0,0|0,0,0]=2 15880 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,2,0,0,0,0|1,0,0]=3 15881 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,2,0,0,0,0|0,0,0]=2 15882 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,2,0,0,0,0|0,0,0]=2 15883 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,2,0,0,0,0|0,0,0]=2 15884 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,2,0,0,0,0|0,1,0]=3 15885 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,2,0,0,0,0|0,1,0]=3 15886 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,2,0,0,0,0|1,0,0]=3 15887 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,2,0,0,0,0|1,0,0]=3 15888 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,2,0,0,0,0|1,0,0]=3 15889 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,2,0,0,0,0|1,0,0]=3 15890 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,2,0,0,0,0|1,0,0]=3 15891 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,2,0,0,0,0|1,0,0]=3 15892 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,2,0,0,0,0|1,0,0]=3 15893 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,2,0,0,0,0|1,0,0]=3 15894 B12R0.5 CCCCCCCSCC#CCO 62a_100000210614_200000047223 [0,2,0,0,0,0|0,0,1]=3 15895 B12R0.5 CCCCCCCSCC#CCO 62a_200000047223_100000210316 [0,2,0,0,0,0|0,0,1]=3 15896 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,2,0,0,0,0|1,0,0]=3 15897 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,2,0,0,0,0|1,0,0]=3 15898 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,2,0,0,0,0|0,0,1]=3 15899 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,2,0,0,0,0|0,0,1]=3 15900 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,2,0,0,0,0|1,0,0]=3 15901 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,2,0,0,0,0|1,0,0]=3 15902 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,2,0,0,0,0|1,0,0]=3 15903 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,2,0,0,0,0|1,0,0]=3 15904 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,2,0,0,0,0|0,0,0]=2 15905 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,2,0,0,0,0|0,0,0]=2 15906 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,2,0,0,0,0|0,0,0]=2 15907 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,2,0,0,0,0|0,0,0]=2 15908 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,2,0,0,0,0|1,0,0]=3 15909 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,2,0,0,0,0|1,0,0]=3 15910 B12R0.5 CCCCCCCSCCSC#N 62a_100000034367_100000210316 [0,2,0,0,0,0|1,0,1]=4 15911 B12R0.5 CCCCCCCSCCSC#N 62a_100000210614_100000034367 [0,2,0,0,0,0|1,0,1]=4 15912 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,2,0,0,0,0|1,0,0]=3 15913 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,2,0,0,0,0|1,0,0]=3 15914 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,2,0,0,0,0|1,0,0]=3 15915 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,2,0,0,0,0|0,0,1]=3 15916 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,2,0,0,0,0|1,0,0]=3 15917 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,2,0,0,0,0|1,0,0]=3 15918 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,2,0,0,0,0|0,0,0]=2 15919 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,2,0,0,0,0|0,0,0]=2 15920 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,2,0,0,0,0|0,0,0]=2 15921 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,2,0,0,0,0|0,0,0]=2 15922 B12R0.5 CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210314 [0,2,0,0,0,0|2,0,0]=4 15923 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,2,0,0,0,0|1,0,0]=3 15924 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,2,0,0,0,0|1,0,0]=3 15925 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,2,0,0,0,0|1,0,0]=3 15926 B12R0.5 CCCCCCNCCOCC#N 2230a_100000210581_200000047693 [0,2,0,0,0,0|1,0,1]=4 15927 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,2,0,0,0,0|1,0,0]=3 15928 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,2,0,0,0,0|1,0,0]=3 15929 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,2,0,0,0,0|1,0,0]=3 15930 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,2,0,0,0,0|0,0,0]=2 15931 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,2,0,0,0,0|0,0,0]=2 15932 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,2,0,0,0,0|0,0,0]=2 15933 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,2,0,0,0,0|1,0,0]=3 15934 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,2,0,0,0,0|0,0,0]=2 15935 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,2,0,0,0,0|1,0,0]=3 15936 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,2,0,0,0,0|1,0,0]=3 15937 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,2,0,0,0,0|1,0,0]=3 15938 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,2,0,0,0,0|0,0,1]=3 15939 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,2,0,0,0,0|1,0,0]=3 15940 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,2,0,0,0,0|1,0,0]=3 15941 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,2,0,0,0,0|1,0,0]=3 15942 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,2,0,0,0,0|1,0,0]=3 15943 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,2,0,0,0,0|1,0,0]=3 15944 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,2,0,0,0,0|1,0,0]=3 15945 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,2,0,0,0,0|1,0,0]=3 15946 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,2,0,0,0,0|1,0,0]=3 15947 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,2,0,0,0,0|1,0,0]=3 15948 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,2,0,0,0,0|1,0,0]=3 15949 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,2,0,0,0,0|1,0,0]=3 15950 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,2,0,0,0,0|0,0,0]=2 15951 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,2,0,0,0,0|0,0,0]=2 15952 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,2,0,0,0,0|0,0,0]=2 15953 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,2,0,0,0,0|0,0,0]=2 15954 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,2,0,0,0,0|0,0,0]=2 15955 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,2,0,0,0,0|0,1,0]=3 15956 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,2,0,0,0,0|0,1,0]=3 15957 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,2,0,0,0,0|1,0,0]=3 15958 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,2,0,0,0,0|1,0,0]=3 15959 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,2,0,0,0,0|1,0,0]=3 15960 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,2,0,0,0,0|1,0,0]=3 15961 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,2,0,0,0,0|1,0,0]=3 15962 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,2,0,0,0,0|1,0,0]=3 15963 B12R0.5 CCCCCCOCCOCC#N 7a_100000210259_200000047693 [0,2,0,0,0,0|1,0,1]=4 15964 B12R0.5 CCCCCCOCCOCC#N 7a_100000691444_100011215382 [0,2,0,0,0,0|1,0,1]=4 15965 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,2,0,0,0,0|0,0,2]=4 15966 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,2,0,0,0,0|0,0,2]=4 15967 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,2,0,0,0,0|1,0,0]=3 15968 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,2,0,0,0,0|1,0,0]=3 15969 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,2,0,0,0,0|1,0,0]=3 15970 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,2,0,0,0,0|1,0,0]=3 15971 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,2,0,0,0,0|1,0,0]=3 15972 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,2,0,0,0,0|1,0,0]=3 15973 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,2,0,0,0,0|1,0,0]=3 15974 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,2,0,0,0,0|1,0,0]=3 15975 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,2,0,0,0,0|1,0,0]=3 15976 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,2,0,0,0,0|1,0,0]=3 15977 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,2,0,0,0,0|1,0,0]=3 15978 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,2,0,0,0,0|1,0,0]=3 15979 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,2,0,0,0,0|1,0,0]=3 15980 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,2,0,0,0,0|1,0,0]=3 15981 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,2,0,0,0,0|1,0,0]=3 15982 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,2,0,0,0,0|1,0,0]=3 15983 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,2,0,0,0,0|1,0,0]=3 15984 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,2,0,0,0,0|0,0,0]=2 15985 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,2,0,0,0,0|0,0,0]=2 15986 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,2,0,0,0,0|0,0,0]=2 15987 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,2,0,0,0,0|0,0,0]=2 15988 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [0,2,0,0,0,0|1,1,0]=4 15989 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,2,0,0,0,0|1,0,0]=3 15990 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,2,0,0,0,0|1,0,0]=3 15991 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,2,0,0,0,0|1,0,0]=3 15992 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,2,0,0,0,0|1,0,0]=3 15993 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,2,0,0,0,0|1,0,0]=3 15994 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,2,0,0,0,0|0,0,1]=3 15995 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,2,0,0,0,0|0,0,1]=3 15996 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,2,0,0,0,0|1,0,0]=3 15997 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,2,0,0,0,0|1,0,0]=3 15998 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,2,0,0,0,0|1,0,0]=3 15999 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,2,0,0,0,0|0,0,0]=2 16000 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,2,0,0,0,0|0,0,0]=2 16001 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,2,0,0,0,0|0,0,0]=2 16002 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,2,0,0,0,0|0,0,0]=2 16003 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,2,0,0,0,0|1,0,0]=3 16004 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,2,0,0,0,0|1,0,0]=3 16005 B12R0.5 CCCCCCSCCOCC#N 62a_100000210314_200000047693 [0,2,0,0,0,0|1,0,1]=4 16006 B12R0.5 CCCCCCSCCOCC#N 62a_200000047693_100000210757 [0,2,0,0,0,0|1,0,1]=4 16007 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,2,0,0,0,0|1,0,0]=3 16008 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,2,0,0,0,0|1,0,0]=3 16009 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,2,0,0,0,0|0,0,0]=2 16010 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,2,0,0,0,0|0,0,0]=2 16011 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,2,0,0,0,0|1,0,0]=3 16012 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,2,0,0,0,0|1,0,0]=3 16013 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,2,0,0,0,0|1,0,0]=3 16014 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,2,0,0,0,0|1,0,0]=3 16015 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,2,0,0,0,0|1,0,0]=3 16016 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,2,0,0,0,0|0,0,1]=3 16017 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,2,0,0,0,0|1,0,0]=3 16018 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,2,0,0,0,0|0,0,0]=2 16019 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,2,0,0,0,0|0,0,0]=2 16020 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,2,0,0,0,0|0,0,0]=2 16021 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,2,0,0,0,0|0,0,0]=2 16022 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,2,0,0,0,0|0,0,0]=2 16023 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,2,0,0,0,0|2,0,0]=4 16024 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,2,0,0,0,0|1,0,0]=3 16025 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,2,0,0,0,0|1,0,0]=3 16026 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,2,0,0,0,0|1,0,0]=3 16027 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,2,0,0,0,0|1,0,0]=3 16028 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [0,2,0,0,0,0|1,0,0]=3 16029 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,2,0,0,0,0|0,0,0]=2 16030 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,2,0,0,0,0|1,0,0]=3 16031 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,2,0,0,0,0|1,0,0]=3 16032 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,2,0,0,0,0|1,0,0]=3 16033 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,2,0,0,0,0|1,0,0]=3 16034 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,2,0,0,0,0|1,1,0]=4 16035 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [0,2,0,0,0,0|1,0,0]=3 16036 B12R0.5 CCCCCNN=CCCCCO 4a_100000694160_100000031955 [0,2,0,0,0,0|0,0,1]=3 16037 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,2,0,0,0,0|1,0,0]=3 16038 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,2,0,0,0,0|0,0,1]=3 16039 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,2,0,0,0,0|1,0,0]=3 16040 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,2,0,0,0,0|1,0,0]=3 16041 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,2,0,0,0,0|1,0,0]=3 16042 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,2,0,0,0,0|1,0,0]=3 16043 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,2,0,0,0,0|1,0,0]=3 16044 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,2,0,0,0,0|1,0,0]=3 16045 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,2,0,0,0,0|1,0,0]=3 16046 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,2,0,0,0,0|1,0,0]=3 16047 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,2,0,0,0,0|1,0,0]=3 16048 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,2,0,0,0,0|0,0,0]=2 16049 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,2,0,0,0,0|0,0,0]=2 16050 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,2,0,0,0,0|1,0,0]=3 16051 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,2,0,0,0,0|1,0,1]=4 16052 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,2,0,0,0,0|1,0,0]=3 16053 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,2,0,0,0,0|1,0,0]=3 16054 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,2,0,0,0,0|1,0,0]=3 16055 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,2,0,0,0,0|1,0,0]=3 16056 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,2,0,0,0,0|1,0,0]=3 16057 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,2,0,0,0,0|1,0,0]=3 16058 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,2,0,0,0,0|1,0,0]=3 16059 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,2,0,0,0,0|1,0,0]=3 16060 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,2,0,0,0,0|0,0,0]=2 16061 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,2,0,0,0,0|0,0,0]=2 16062 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,2,0,0,0,0|2,0,0]=4 16063 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,2,0,0,0,0|1,0,0]=3 16064 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,2,0,0,0,0|1,0,0]=3 16065 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,2,0,0,0,0|1,0,0]=3 16066 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,2,0,0,0,0|1,0,0]=3 16067 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,2,0,0,0,0|1,0,0]=3 16068 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,2,0,0,0,0|1,0,0]=3 16069 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,2,0,0,0,0|1,1,0]=4 16070 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,2,0,0,0,0|1,1,0]=4 16071 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,2,0,0,0,0|1,0,0]=3 16072 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,2,0,0,0,0|1,0,0]=3 16073 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,2,0,0,0,0|1,0,0]=3 16074 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,2,0,0,0,0|1,0,0]=3 16075 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,2,0,0,0,0|0,0,1]=3 16076 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,2,0,0,0,0|0,0,1]=3 16077 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,2,0,0,0,0|1,0,0]=3 16078 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,2,0,0,0,0|1,0,0]=3 16079 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,2,0,0,0,0|0,0,0]=2 16080 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,2,0,0,0,0|0,0,0]=2 16081 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,2,0,0,0,0|1,0,0]=3 16082 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,2,0,0,0,0|1,0,0]=3 16083 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,2,0,0,0,0|1,0,0]=3 16084 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,2,0,0,0,0|1,0,0]=3 16085 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,2,0,0,0,0|1,0,0]=3 16086 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,2,0,0,0,0|1,0,0]=3 16087 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,2,0,0,0,0|0,0,0]=2 16088 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,2,0,0,0,0|0,0,0]=2 16089 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,2,0,0,0,0|0,0,0]=2 16090 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,2,0,0,0,0|0,0,0]=2 16091 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,2,0,0,0,0|0,0,0]=2 16092 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,2,0,0,0,0|0,0,0]=2 16093 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,2,0,0,0,0|0,0,2]=4 16094 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,2,0,0,0,0|1,0,0]=3 16095 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,2,0,0,0,0|1,0,0]=3 16096 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,2,0,0,0,0|0,0,0]=2 16097 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [0,2,0,0,0,0|1,1,0]=4 16098 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,2,0,0,0,0|1,0,0]=3 16099 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,2,0,0,0,0|1,0,0]=3 16100 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,2,0,0,0,0|0,0,0]=2 16101 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,2,0,0,0,0|0,0,0]=2 16102 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,2,0,0,0,0|1,0,0]=3 16103 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,2,0,0,0,0|1,0,0]=3 16104 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,2,0,0,0,0|1,0,0]=3 16105 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,2,0,0,0,0|1,0,0]=3 16106 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [0,2,0,0,0,0|2,0,0]=4 16107 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [0,2,0,0,0,0|2,0,0]=4 16108 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [0,2,0,0,0,0|2,0,0]=4 16109 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [0,2,0,0,0,0|2,0,0]=4 16110 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,2,0,0,0,0|1,0,0]=3 16111 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,2,0,0,0,0|1,0,0]=3 16112 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,2,0,0,0,0|1,0,0]=3 16113 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,2,0,0,0,0|1,0,0]=3 16114 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,2,0,0,0,0|0,0,0]=2 16115 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,2,0,0,0,0|0,0,0]=2 16116 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,2,0,0,0,0|0,0,0]=2 16117 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,2,0,0,0,0|0,0,0]=2 16118 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,2,0,0,0,0|0,0,0]=2 16119 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,2,0,0,0,0|0,0,0]=2 16120 B12R0.5 CCCCOCCCCOCC#N 7a_200000760531_100011215382 [0,2,0,0,0,0|1,0,1]=4 16121 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,2,0,0,0,0|0,0,2]=4 16122 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,2,0,0,0,0|0,0,2]=4 16123 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,2,0,0,0,0|1,0,0]=3 16124 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,2,0,0,0,0|1,0,0]=3 16125 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,2,0,0,0,0|1,0,0]=3 16126 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,2,0,0,0,0|1,0,0]=3 16127 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,2,0,0,0,0|0,0,0]=2 16128 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,2,0,0,0,0|0,0,0]=2 16129 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,2,0,0,0,0|1,1,0]=4 16130 B12R0.5 CCCCOCCCNCCC#N 2230a_200000211371_100011215226 [0,2,0,0,0,0|1,0,1]=4 16131 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [0,2,0,0,0,0|1,0,0]=3 16132 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [0,2,0,0,0,0|1,0,0]=3 16133 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,2,0,0,0,0|0,0,0]=2 16134 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,2,0,0,0,0|0,0,0]=2 16135 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,2,0,0,0,0|1,0,0]=3 16136 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,2,0,0,0,0|1,0,0]=3 16137 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,2,0,0,0,0|1,1,0]=4 16138 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,2,0,0,0,0|1,1,0]=4 16139 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,2,0,0,0,0|1,0,1]=4 16140 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,2,0,0,0,0|1,0,0]=3 16141 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,2,0,0,0,0|1,0,0]=3 16142 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,2,0,0,0,0|1,0,0]=3 16143 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,2,0,0,0,0|1,0,0]=3 16144 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,2,0,0,0,0|1,0,0]=3 16145 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,2,0,0,0,0|0,0,0]=2 16146 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,2,0,0,0,0|0,0,0]=2 16147 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,2,0,0,0,0|1,0,0]=3 16148 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,2,0,0,0,0|1,0,0]=3 16149 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,2,0,0,0,0|1,0,0]=3 16150 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,2,0,0,0,0|1,0,0]=3 16151 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,2,0,0,0,0|1,1,0]=4 16152 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,2,0,0,0,0|1,1,0]=4 16153 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,2,0,0,0,0|0,0,0]=2 16154 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,2,0,0,0,0|0,0,0]=2 16155 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,2,0,0,0,0|1,0,0]=3 16156 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,2,0,0,0,0|1,1,0]=4 16157 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [0,2,0,0,0,0|2,0,0]=4 16158 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [0,2,0,0,0,0|2,0,0]=4 16159 B12R0.5 CCCCOCCNCCSCC 2230a_100000106463_100000743108 [0,2,0,0,0,0|2,0,0]=4 16160 B12R0.5 CCCCOCCOCC#CCO 34a_100000210238_200000047223 [0,2,0,0,0,0|0,0,2]=4 16161 B12R0.5 CCCCOCCOCC#CCO 7a_100000210238_200000047223 [0,2,0,0,0,0|0,0,2]=4 16162 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,2,0,0,0,0|1,0,1]=4 16163 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,2,0,0,0,0|0,0,2]=4 16164 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,2,0,0,0,0|1,0,0]=3 16165 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,2,0,0,0,0|1,0,0]=3 16166 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,2,0,0,0,0|1,0,0]=3 16167 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,2,0,0,0,0|1,0,0]=3 16168 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,2,0,0,0,0|1,0,0]=3 16169 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,2,0,0,0,0|1,0,0]=3 16170 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,2,0,0,0,0|1,0,0]=3 16171 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,2,0,0,0,0|1,0,0]=3 16172 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,2,0,0,0,0|1,0,0]=3 16173 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,2,0,0,0,0|0,0,0]=2 16174 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,2,0,0,0,0|0,0,0]=2 16175 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,2,0,0,0,0|2,0,0]=4 16176 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,2,0,0,0,0|1,0,0]=3 16177 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,2,0,0,0,0|1,0,0]=3 16178 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,2,0,0,0,0|1,0,0]=3 16179 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,2,0,0,0,0|1,1,0]=4 16180 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,2,0,0,0,0|1,1,0]=4 16181 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [0,2,0,0,0,0|2,0,0]=4 16182 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [0,2,0,0,0,0|2,0,0]=4 16183 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [0,2,0,0,0,0|2,0,0]=4 16184 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [0,2,0,0,0,0|2,0,0]=4 16185 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [0,2,0,0,0,0|2,0,0]=4 16186 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [0,2,0,0,0,0|2,0,0]=4 16187 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [0,2,0,0,0,0|2,0,0]=4 16188 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [0,2,0,0,0,0|2,0,0]=4 16189 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [0,2,0,0,0,0|2,0,0]=4 16190 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [0,2,0,0,0,0|2,0,0]=4 16191 B12R0.5 CCCCOCCOCCOCF 34a_100011215186_100015361967 [0,2,0,0,0,0|2,0,0]=4 16192 B12R0.5 CCCCOCCOCCOCF 7a_100011215186_100015361967 [0,2,0,0,0,0|2,0,0]=4 16193 B12R0.5 CCCCOCCOCCSCC 34a_100000210238_100000757381 [0,2,0,0,0,0|2,0,0]=4 16194 B12R0.5 CCCCOCCOCCSCC 34a_100000212035_100000743108 [0,2,0,0,0,0|2,0,0]=4 16195 B12R0.5 CCCCOCCOCCSCC 7a_100000210238_100000757381 [0,2,0,0,0,0|2,0,0]=4 16196 B12R0.5 CCCCOCCOCCSCC 7a_100000212035_100000743108 [0,2,0,0,0,0|2,0,0]=4 16197 B12R0.5 CCCCOCCSCC#CCO 62a_100000743108_200000047223 [0,2,0,0,0,0|0,0,2]=4 16198 B12R0.5 CCCCOCCSCC#CCO 62a_200000047223_100000743108 [0,2,0,0,0,0|0,0,2]=4 16199 B12R0.5 CCCCOCCSCCCC#N 62a_100000687738_100000743108 [0,2,0,0,0,0|1,0,1]=4 16200 B12R0.5 CCCCOCCSCCCC#N 62a_100000743108_100000687738 [0,2,0,0,0,0|1,0,1]=4 16201 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,2,0,0,0,0|0,0,2]=4 16202 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,2,0,0,0,0|0,0,2]=4 16203 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,2,0,0,0,0|1,0,0]=3 16204 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,2,0,0,0,0|1,0,0]=3 16205 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,2,0,0,0,0|0,0,0]=2 16206 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,2,0,0,0,0|0,0,0]=2 16207 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,2,0,0,0,0|1,0,0]=3 16208 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,2,0,0,0,0|1,0,0]=3 16209 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [0,2,0,0,0,0|2,0,0]=4 16210 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [0,2,0,0,0,0|2,0,0]=4 16211 B12R0.5 CCCCOCCSCCSCC 62a_100000743108_100000757381 [0,2,0,0,0,0|2,0,0]=4 16212 B12R0.5 CCCCOCCSCCSCC 62a_100000757381_100000743108 [0,2,0,0,0,0|2,0,0]=4 16213 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,2,0,0,0,0|0,0,0]=2 16214 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,2,0,0,0,0|0,0,0]=2 16215 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [0,2,0,0,0,0|2,0,0]=4 16216 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [0,2,0,0,0,0|2,0,0]=4 16217 B12R0.5 CCCCOCNCCOCCC 2230a_100161115042_100011995733 [0,2,0,0,0,0|2,0,0]=4 16218 B12R0.5 CCCCOCNCCOCCC 34a_100161115042_100011995733 [0,2,0,0,0,0|2,0,0]=4 16219 B12R0.5 CCCCOCNCCOCCO 2230a_100000211614_100011995733 [0,2,0,0,0,0|1,0,0]=3 16220 B12R0.5 CCCCOCNCCOCCO 34a_100000211614_100011995733 [0,2,0,0,0,0|1,0,0]=3 16221 B12R0.5 CCCCOCNCCSCCC 2230a_100020603323_100011995733 [0,2,0,0,0,0|2,0,0]=4 16222 B12R0.5 CCCCOCNCCSCCO 2230a_100011219999_100011995733 [0,2,0,0,0,0|1,0,0]=3 16223 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [0,2,0,0,0,0|1,0,0]=3 16224 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [0,2,0,0,0,0|1,0,0]=3 16225 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [0,2,0,0,0,0|1,0,0]=3 16226 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [0,2,0,0,0,0|1,0,0]=3 16227 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,2,0,0,0,0|1,0,0]=3 16228 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,2,0,0,0,0|1,1,0]=4 16229 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [0,2,0,0,0,0|2,0,0]=4 16230 B12R0.5 CCCCOCOCCCSCC 34a_100011216438_100011995733 [0,2,0,0,0,0|2,0,0]=4 16231 B12R0.5 CCCCOCOCCOCCBr 34a_100000692535_100011995733 [0,2,0,0,0,0|2,0,0]=4 16232 B12R0.5 CCCCOCOCCOCCC 34a_100000752267_100011995733 [0,2,0,0,0,0|2,0,0]=4 16233 B12R0.5 CCCCOCOCCOCCCl 34a_100011215305_100011995733 [0,2,0,0,0,0|2,0,0]=4 16234 B12R0.5 CCCCOCOCCOCCF 34a_200015357709_100011995733 [0,2,0,0,0,0|2,0,0]=4 16235 B12R0.5 CCCCOCOCCOCCI 34a_100012149058_100011995733 [0,2,0,0,0,0|2,0,0]=4 16236 B12R0.5 CCCCOCOCCOCCN 34a_100000211614_100011995733 [0,2,0,0,0,0|2,0,0]=4 16237 B12R0.5 CCCCOCOCCSCCC 34a_200000230433_100011995733 [0,2,0,0,0,0|2,0,0]=4 16238 B12R0.5 CCCCOCSCCCCC#N 62a_100011219923_100011995733 [0,2,0,0,0,0|1,0,1]=4 16239 B12R0.5 CCCCOCSCCCCC#N 62a_100011995733_100000211819 [0,2,0,0,0,0|1,0,1]=4 16240 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,2,0,0,0,0|0,0,2]=4 16241 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,2,0,0,0,0|0,0,2]=4 16242 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [0,2,0,0,0,0|1,0,0]=3 16243 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [0,2,0,0,0,0|1,0,0]=3 16244 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,2,0,0,0,0|0,0,0]=2 16245 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,2,0,0,0,0|0,0,0]=2 16246 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,2,0,0,0,0|1,0,0]=3 16247 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,2,0,0,0,0|1,0,0]=3 16248 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [0,2,0,0,0,0|2,0,0]=4 16249 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [0,2,0,0,0,0|2,0,0]=4 16250 B12R0.5 CCCCOCSCCOCCC 62a_100011215938_100011995733 [0,2,0,0,0,0|2,0,0]=4 16251 B12R0.5 CCCCOCSCCOCCC 62a_100011995733_100011215938 [0,2,0,0,0,0|2,0,0]=4 16252 B12R0.5 CCCCOCSCCOCCO 62a_100011215305_100011995733 [0,2,0,0,0,0|1,0,0]=3 16253 B12R0.5 CCCCOCSCCOCCO 62a_100011995733_100011215305 [0,2,0,0,0,0|1,0,0]=3 16254 B12R0.5 CCCCOCSCOCCCC 62a_100011995733_100011995733 [0,2,0,0,0,0|2,0,0]=4 16255 B12R0.5 CCCCOCSCOCCOC 62a_100000231047_100011995733 [0,2,0,0,0,0|2,0,0]=4 16256 B12R0.5 CCCCOCSCOCCOC 62a_100011995733_100000231047 [0,2,0,0,0,0|2,0,0]=4 16257 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,2,0,0,0,0|1,0,0]=3 16258 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,2,0,0,0,0|1,0,0]=3 16259 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,2,0,0,0,0|0,0,0]=2 16260 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,2,0,0,0,0|0,0,0]=2 16261 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,2,0,0,0,0|0,0,0]=2 16262 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,2,0,0,0,0|0,0,0]=2 16263 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,2,0,0,0,0|1,0,0]=3 16264 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,2,0,0,0,0|1,0,0]=3 16265 B12R0.5 CCCCSCCNCC#CCO 2230a_100025743550_200000047223 [0,2,0,0,0,0|0,0,2]=4 16266 B12R0.5 CCCCSCCNCCCC#N 2230a_100025743550_100000687738 [0,2,0,0,0,0|1,0,1]=4 16267 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,2,0,0,0,0|0,0,2]=4 16268 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [0,2,0,0,0,0|1,0,0]=3 16269 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,2,0,0,0,0|0,0,0]=2 16270 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,2,0,0,0,0|1,0,0]=3 16271 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [0,2,0,0,0,0|2,0,0]=4 16272 B12R0.5 CCCCSCCNCCSCC 2230a_100025743550_100000757381 [0,2,0,0,0,0|2,0,0]=4 16273 B12R0.5 CCCCSCCOCC#CCO 34a_200000230436_200000047223 [0,2,0,0,0,0|0,0,2]=4 16274 B12R0.5 CCCCSCCOCC#CCO 7a_200000230436_200000047223 [0,2,0,0,0,0|0,0,2]=4 16275 B12R0.5 CCCCSCCOCCCC#N 7a_200000230436_100000687738 [0,2,0,0,0,0|1,0,1]=4 16276 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,2,0,0,0,0|0,0,2]=4 16277 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,2,0,0,0,0|1,0,0]=3 16278 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,2,0,0,0,0|1,0,0]=3 16279 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,2,0,0,0,0|0,0,0]=2 16280 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,2,0,0,0,0|0,0,0]=2 16281 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,2,0,0,0,0|1,0,0]=3 16282 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,2,0,0,0,0|1,0,0]=3 16283 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [0,2,0,0,0,0|2,0,0]=4 16284 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [0,2,0,0,0,0|2,0,0]=4 16285 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [0,2,0,0,0,0|2,0,0]=4 16286 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [0,2,0,0,0,0|2,0,0]=4 16287 B12R0.5 CCCCSCCOCCSCC 34a_200000230436_100000757381 [0,2,0,0,0,0|2,0,0]=4 16288 B12R0.5 CCCCSCCOCCSCC 7a_200000230436_100000757381 [0,2,0,0,0,0|2,0,0]=4 16289 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,2,0,0,0,0|0,0,0]=2 16290 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,2,0,0,0,0|0,0,0]=2 16291 B12R0.5 CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210303 [0,2,0,0,0,0|2,0,0]=4 16292 B12R0.5 CCCNCCOCCOCCC 2230a_200011904461_100000210303 [0,2,0,0,0,0|2,0,0]=4 16293 B12R0.5 CCCNCCOCCOCCC 34a_200011904461_100000210303 [0,2,0,0,0,0|2,0,0]=4 16294 B12R0.5 CCCNCCOCCOCCO 2230a_100011998139_100000210303 [0,2,0,0,0,0|1,0,0]=3 16295 B12R0.5 CCCNCCOCCOCCO 34a_100011998139_100000210303 [0,2,0,0,0,0|1,0,0]=3 16296 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,2,0,0,0,0|1,0,0]=3 16297 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,2,0,0,0,0|1,0,0]=3 16298 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,2,0,0,0,0|1,0,0]=3 16299 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,2,0,0,0,0|1,0,0]=3 16300 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,2,0,0,0,0|1,0,0]=3 16301 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,2,0,0,0,0|0,0,0]=2 16302 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,2,0,0,0,0|1,0,0]=3 16303 B12R0.5 CCCOCCCNCC#CCO 2230a_100011217757_200000047223 [0,2,0,0,0,0|0,0,2]=4 16304 B12R0.5 CCCOCCCNCC#CCO 34a_100011217757_200000047223 [0,2,0,0,0,0|0,0,2]=4 16305 B12R0.5 CCCOCCCNCCCC#N 2230a_100011217757_100000687738 [0,2,0,0,0,0|1,0,1]=4 16306 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,2,0,0,0,0|0,0,2]=4 16307 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [0,2,0,0,0,0|1,0,0]=3 16308 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [0,2,0,0,0,0|1,0,0]=3 16309 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,2,0,0,0,0|0,0,0]=2 16310 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,2,0,0,0,0|0,0,0]=2 16311 B12R0.5 CCCOCCCNCCCOC 2230a_100011217757_100000740836 [0,2,0,0,0,0|1,0,0]=3 16312 B12R0.5 CCCOCCCNCCCOC 34a_100011217757_100000740836 [0,2,0,0,0,0|1,0,0]=3 16313 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [0,2,0,0,0,0|2,0,0]=4 16314 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [0,2,0,0,0,0|2,0,0]=4 16315 B12R0.5 CCCOCCCNCCSCC 2230a_100011217757_100000757381 [0,2,0,0,0,0|2,0,0]=4 16316 B12R0.5 CCCOCCCNCCSCC 34a_100011217757_100000757381 [0,2,0,0,0,0|2,0,0]=4 16317 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,2,0,0,0,0|1,0,0]=3 16318 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,2,0,0,0,0|1,0,0]=3 16319 B12R0.5 CCCOCCNCCCCC#N 2230a_100161115042_100000211819 [0,2,0,0,0,0|1,0,1]=4 16320 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,2,0,0,0,0|0,0,2]=4 16321 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [0,2,0,0,0,0|1,0,0]=3 16322 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [0,2,0,0,0,0|1,0,0]=3 16323 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,2,0,0,0,0|0,0,0]=2 16324 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,2,0,0,0,0|0,0,0]=2 16325 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,2,0,0,0,0|0,0,0]=2 16326 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,2,0,0,0,0|0,0,0]=2 16327 B12R0.5 CCCOCCNCCCCOC 2230a_100161115042_100000730899 [0,2,0,0,0,0|1,0,0]=3 16328 B12R0.5 CCCOCCNCCCCOC 34a_100161115042_100000755781 [0,2,0,0,0,0|1,0,0]=3 16329 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [0,2,0,0,0,0|2,0,0]=4 16330 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [0,2,0,0,0,0|2,0,0]=4 16331 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [0,2,0,0,0,0|2,0,0]=4 16332 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [0,2,0,0,0,0|2,0,0]=4 16333 B12R0.5 CCCOCCNCCOCCC 2230a_100161115042_100011215938 [0,2,0,0,0,0|2,0,0]=4 16334 B12R0.5 CCCOCCNCCOCCC 34a_100161115042_100011215938 [0,2,0,0,0,0|2,0,0]=4 16335 B12R0.5 CCCOCCNCCOCCO 2230a_100000211614_100011215938 [0,2,0,0,0,0|1,0,0]=3 16336 B12R0.5 CCCOCCNCCOCCO 2230a_100161115042_100011215305 [0,2,0,0,0,0|1,0,0]=3 16337 B12R0.5 CCCOCCNCCOCCO 34a_100000211614_100011215938 [0,2,0,0,0,0|1,0,0]=3 16338 B12R0.5 CCCOCCNCCOCCO 34a_100161115042_100000692535 [0,2,0,0,0,0|1,0,0]=3 16339 B12R0.5 CCCOCCNCCSCCC 2230a_100020603323_100011215938 [0,2,0,0,0,0|2,0,0]=4 16340 B12R0.5 CCCOCCNCCSCCO 2230a_100011219999_100011215938 [0,2,0,0,0,0|1,0,0]=3 16341 B12R0.5 CCCOCCNCOCCOC 2230a_100161115042_100000231047 [0,2,0,0,0,0|2,0,0]=4 16342 B12R0.5 CCCOCCOCCCCC#N 7a_100000752267_100000211819 [0,2,0,0,0,0|1,0,1]=4 16343 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,2,0,0,0,0|0,0,2]=4 16344 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [0,2,0,0,0,0|1,0,0]=3 16345 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [0,2,0,0,0,0|1,0,0]=3 16346 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [0,2,0,0,0,0|1,0,0]=3 16347 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [0,2,0,0,0,0|1,0,0]=3 16348 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [0,2,0,0,0,0|1,0,0]=3 16349 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [0,2,0,0,0,0|1,0,0]=3 16350 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [0,2,0,0,0,0|1,0,0]=3 16351 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [0,2,0,0,0,0|1,0,0]=3 16352 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [0,2,0,0,0,0|1,0,0]=3 16353 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,2,0,0,0,0|0,0,0]=2 16354 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,2,0,0,0,0|0,0,0]=2 16355 B12R0.5 CCCOCCOCCCCOC 34a_100000740925_100011215938 [0,2,0,0,0,0|1,0,0]=3 16356 B12R0.5 CCCOCCOCCCCOC 34a_100000752267_100000755781 [0,2,0,0,0,0|1,0,0]=3 16357 B12R0.5 CCCOCCOCCCCOC 7a_100000752267_100000730899 [0,2,0,0,0,0|1,0,0]=3 16358 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [0,2,0,0,0,0|1,1,0]=4 16359 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [0,2,0,0,0,0|1,1,0]=4 16360 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [0,2,0,0,0,0|2,0,0]=4 16361 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [0,2,0,0,0,0|2,0,0]=4 16362 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [0,2,0,0,0,0|2,0,0]=4 16363 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [0,2,0,0,0,0|2,0,0]=4 16364 B12R0.5 CCCOCCOCCCSCC 34a_100011216438_100011215938 [0,2,0,0,0,0|2,0,0]=4 16365 B12R0.5 CCCOCCOCCCSCC 7a_100011216438_100011215938 [0,2,0,0,0,0|2,0,0]=4 16366 B12R0.5 CCCOCCOCCNCCF 2230a_200011904461_100011217306 [0,2,0,0,0,0|2,0,0]=4 16367 B12R0.5 CCCOCCOCCNCCF 34a_200011904461_100011217306 [0,2,0,0,0,0|2,0,0]=4 16368 B12R0.5 CCCOCCOCCNCCO 2230a_200011904461_100000211926 [0,2,0,0,0,0|1,0,0]=3 16369 B12R0.5 CCCOCCOCCNCCO 34a_200011904461_100000211926 [0,2,0,0,0,0|1,0,0]=3 16370 B12R0.5 CCCOCCOCCNCOC 2230a_200011904461_100000766300 [0,2,0,0,0,0|2,0,0]=4 16371 B12R0.5 CCCOCCOCCOCCBr 34a_100000692535_100011215938 [0,2,0,0,0,0|2,0,0]=4 16372 B12R0.5 CCCOCCOCCOCCBr 34a_100010132937_100000210303 [0,2,0,0,0,0|2,0,0]=4 16373 B12R0.5 CCCOCCOCCOCCBr 7a_100000692535_100011215938 [0,2,0,0,0,0|2,0,0]=4 16374 B12R0.5 CCCOCCOCCOCCBr 7a_100010132937_100000210303 [0,2,0,0,0,0|2,0,0]=4 16375 B12R0.5 CCCOCCOCCOCCC 34a_100000752267_100011215938 [0,2,0,0,0,0|2,0,0]=4 16376 B12R0.5 CCCOCCOCCOCCC 7a_100000752267_100011215938 [0,2,0,0,0,0|2,0,0]=4 16377 B12R0.5 CCCOCCOCCOCCCl 34a_100000032323_100000210303 [0,2,0,0,0,0|2,0,0]=4 16378 B12R0.5 CCCOCCOCCOCCCl 34a_100011215305_100011215938 [0,2,0,0,0,0|2,0,0]=4 16379 B12R0.5 CCCOCCOCCOCCCl 7a_100000032323_100000210303 [0,2,0,0,0,0|2,0,0]=4 16380 B12R0.5 CCCOCCOCCOCCCl 7a_100011215305_100011215938 [0,2,0,0,0,0|2,0,0]=4 16381 B12R0.5 CCCOCCOCCOCCF 34a_200015357709_100011215938 [0,2,0,0,0,0|2,0,0]=4 16382 B12R0.5 CCCOCCOCCOCCF 7a_200015357709_100011215938 [0,2,0,0,0,0|2,0,0]=4 16383 B12R0.5 CCCOCCOCCOCCI 34a_100012149058_100011215938 [0,2,0,0,0,0|2,0,0]=4 16384 B12R0.5 CCCOCCOCCOCCI 7a_100012149058_100011215938 [0,2,0,0,0,0|2,0,0]=4 16385 B12R0.5 CCCOCCOCCOCCN 34a_100000211614_100011215938 [0,2,0,0,0,0|2,0,0]=4 16386 B12R0.5 CCCOCCOCCOCCN 34a_100011998139_100000210303 [0,2,0,0,0,0|2,0,0]=4 16387 B12R0.5 CCCOCCOCCOCCO 34a_100000210258_100000032323 [0,2,0,0,0,0|1,0,0]=3 16388 B12R0.5 CCCOCCOCCOCCO 34a_100000752267_100000692535 [0,2,0,0,0,0|1,0,0]=3 16389 B12R0.5 CCCOCCOCCOCCO 7a_100000752267_100011215305 [0,2,0,0,0,0|1,0,0]=3 16390 B12R0.5 CCCOCCOCCSCCC 34a_200000230433_100011215938 [0,2,0,0,0,0|2,0,0]=4 16391 B12R0.5 CCCOCCOCCSCCC 7a_200000230433_100011215938 [0,2,0,0,0,0|2,0,0]=4 16392 B12R0.5 CCCOCCSCCCCC#N 62a_100011215938_100000211819 [0,2,0,0,0,0|1,0,1]=4 16393 B12R0.5 CCCOCCSCCCCC#N 62a_100011219923_100011215938 [0,2,0,0,0,0|1,0,1]=4 16394 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,2,0,0,0,0|0,0,2]=4 16395 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,2,0,0,0,0|0,0,2]=4 16396 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [0,2,0,0,0,0|1,0,0]=3 16397 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [0,2,0,0,0,0|1,0,0]=3 16398 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,2,0,0,0,0|0,0,0]=2 16399 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,2,0,0,0,0|0,0,0]=2 16400 B12R0.5 CCCOCCSCCCCOC 62a_100000730899_100011215938 [0,2,0,0,0,0|1,0,0]=3 16401 B12R0.5 CCCOCCSCCCCOC 62a_100011215938_100000730899 [0,2,0,0,0,0|1,0,0]=3 16402 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [0,2,0,0,0,0|2,0,0]=4 16403 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [0,2,0,0,0,0|2,0,0]=4 16404 B12R0.5 CCCOCCSCCOCCC 62a_100011215938_100011215938 [0,2,0,0,0,0|2,0,0]=4 16405 B12R0.5 CCCOCCSCCOCCO 62a_100011215305_100011215938 [0,2,0,0,0,0|1,0,0]=3 16406 B12R0.5 CCCOCCSCCOCCO 62a_100011215938_100011215305 [0,2,0,0,0,0|1,0,0]=3 16407 B12R0.5 CCCOCCSCOCCOC 62a_100000231047_100011215938 [0,2,0,0,0,0|2,0,0]=4 16408 B12R0.5 CCCOCCSCOCCOC 62a_100011215938_100000231047 [0,2,0,0,0,0|2,0,0]=4 16409 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,2,0,0,0,0|0,0,0]=2 16410 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,2,0,0,0,0|0,0,0]=2 16411 B12R0.5 CCCSCCNCCCCC#N 2230a_100020603323_100000211819 [0,2,0,0,0,0|1,0,1]=4 16412 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,2,0,0,0,0|0,0,2]=4 16413 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [0,2,0,0,0,0|1,0,0]=3 16414 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,2,0,0,0,0|0,0,0]=2 16415 B12R0.5 CCCSCCNCCCCOC 2230a_100020603323_100000730899 [0,2,0,0,0,0|1,0,0]=3 16416 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [0,2,0,0,0,0|2,0,0]=4 16417 B12R0.5 CCCSCCNCCOCCO 2230a_100020603323_100011215305 [0,2,0,0,0,0|1,0,0]=3 16418 B12R0.5 CCCSCCNCOCCOC 2230a_100020603323_100000231047 [0,2,0,0,0,0|2,0,0]=4 16419 B12R0.5 CCCSCCOCCCCC#N 7a_200000230433_100000211819 [0,2,0,0,0,0|1,0,1]=4 16420 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,2,0,0,0,0|0,0,2]=4 16421 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [0,2,0,0,0,0|1,0,0]=3 16422 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [0,2,0,0,0,0|1,0,0]=3 16423 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,2,0,0,0,0|0,0,0]=2 16424 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,2,0,0,0,0|0,0,0]=2 16425 B12R0.5 CCCSCCOCCCCOC 34a_200000230433_100000755781 [0,2,0,0,0,0|1,0,0]=3 16426 B12R0.5 CCCSCCOCCCCOC 7a_200000230433_100000730899 [0,2,0,0,0,0|1,0,0]=3 16427 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [0,2,0,0,0,0|2,0,0]=4 16428 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [0,2,0,0,0,0|2,0,0]=4 16429 B12R0.5 CCCSCCOCCOCCO 34a_200000230433_100000692535 [0,2,0,0,0,0|1,0,0]=3 16430 B12R0.5 CCCSCCOCCOCCO 62a_100000032323_100000210303 [0,2,0,0,0,0|1,0,0]=3 16431 B12R0.5 CCCSCCOCCOCCO 62a_100000210303_100000032323 [0,2,0,0,0,0|1,0,0]=3 16432 B12R0.5 CCCSCCOCCOCCO 7a_200000230433_100011215305 [0,2,0,0,0,0|1,0,0]=3 16433 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,2,0,0,0,0|0,0,0]=2 16434 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,2,0,0,0,0|0,0,0]=2 16435 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,2,0,0,0,0|0,0,0]=2 16436 B12R0.5 CCNCCCOCCOCCO 2230a_100011996194_100000210202 [0,2,0,0,0,0|1,0,0]=3 16437 B12R0.5 CCNCCCOCCOCCO 34a_100011996194_100000210202 [0,2,0,0,0,0|1,0,0]=3 16438 B12R0.5 CCNCCOCCOCCOC 2230a_100012028300_100000210202 [0,2,0,0,0,0|2,0,0]=4 16439 B12R0.5 CCNCCOCCOCCOC 2230a_100015525214_100013367474 [0,2,0,0,0,0|2,0,0]=4 16440 B12R0.5 CCNCCOCCOCCOC 34a_100012028300_100000210202 [0,2,0,0,0,0|2,0,0]=4 16441 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,2,0,0,0,0|1,0,0]=3 16442 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,2,0,0,0,0|1,0,0]=3 16443 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,2,0,0,0,0|1,0,0]=3 16444 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,2,0,0,0,0|1,0,0]=3 16445 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,2,0,0,0,0|1,0,0]=3 16446 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,2,0,0,0,0|0,0,0]=2 16447 B12R0.5 CCOCCCNCCCCC#N 2230a_100000210961_100000211819 [0,2,0,0,0,0|1,0,1]=4 16448 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,2,0,0,0,0|0,0,2]=4 16449 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,2,0,0,0,0|1,0,0]=3 16450 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,2,0,0,0,0|1,0,0]=3 16451 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,2,0,0,0,0|0,0,0]=2 16452 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,2,0,0,0,0|0,0,0]=2 16453 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,2,0,0,0,0|0,0,0]=2 16454 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,2,0,0,0,0|0,0,0]=2 16455 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,2,0,0,0,0|1,0,0]=3 16456 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,2,0,0,0,0|1,0,0]=3 16457 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [0,2,0,0,0,0|2,0,0]=4 16458 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [0,2,0,0,0,0|2,0,0]=4 16459 B12R0.5 CCOCCCNCCOCCO 2230a_100000210961_100011215305 [0,2,0,0,0,0|1,0,0]=3 16460 B12R0.5 CCOCCCNCCOCCO 2230a_100000211614_100012232248 [0,2,0,0,0,0|1,0,0]=3 16461 B12R0.5 CCOCCCNCCOCCO 34a_100000210961_100000692535 [0,2,0,0,0,0|1,0,0]=3 16462 B12R0.5 CCOCCCNCCOCCO 34a_100000211614_100012232248 [0,2,0,0,0,0|1,0,0]=3 16463 B12R0.5 CCOCCCNCCSCCO 2230a_100011219999_100012232248 [0,2,0,0,0,0|1,0,0]=3 16464 B12R0.5 CCOCCCNCOCCOC 2230a_100000210961_100000231047 [0,2,0,0,0,0|2,0,0]=4 16465 B12R0.5 CCOCCCOCCCCC#N 7a_100000757476_100000211819 [0,2,0,0,0,0|1,0,1]=4 16466 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,2,0,0,0,0|0,0,2]=4 16467 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,2,0,0,0,0|1,0,0]=3 16468 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,2,0,0,0,0|1,0,0]=3 16469 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,2,0,0,0,0|1,0,0]=3 16470 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,2,0,0,0,0|1,0,0]=3 16471 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,2,0,0,0,0|1,0,0]=3 16472 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,2,0,0,0,0|1,0,0]=3 16473 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,2,0,0,0,0|1,0,0]=3 16474 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,2,0,0,0,0|1,0,0]=3 16475 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,2,0,0,0,0|1,0,0]=3 16476 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,2,0,0,0,0|0,0,0]=2 16477 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,2,0,0,0,0|0,0,0]=2 16478 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,2,0,0,0,0|1,0,0]=3 16479 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,2,0,0,0,0|1,0,0]=3 16480 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,2,0,0,0,0|1,0,0]=3 16481 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,2,0,0,0,0|1,1,0]=4 16482 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,2,0,0,0,0|1,1,0]=4 16483 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [0,2,0,0,0,0|2,0,0]=4 16484 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [0,2,0,0,0,0|2,0,0]=4 16485 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [0,2,0,0,0,0|2,0,0]=4 16486 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [0,2,0,0,0,0|2,0,0]=4 16487 B12R0.5 CCOCCCOCCOCCBr 34a_100000692535_100012232248 [0,2,0,0,0,0|2,0,0]=4 16488 B12R0.5 CCOCCCOCCOCCBr 7a_100000692535_100012232248 [0,2,0,0,0,0|2,0,0]=4 16489 B12R0.5 CCOCCCOCCOCCCl 34a_100011215305_100012232248 [0,2,0,0,0,0|2,0,0]=4 16490 B12R0.5 CCOCCCOCCOCCCl 7a_100011215305_100012232248 [0,2,0,0,0,0|2,0,0]=4 16491 B12R0.5 CCOCCCOCCOCCF 34a_200015357709_100012232248 [0,2,0,0,0,0|2,0,0]=4 16492 B12R0.5 CCOCCCOCCOCCF 7a_200015357709_100012232248 [0,2,0,0,0,0|2,0,0]=4 16493 B12R0.5 CCOCCCOCCOCCI 34a_100012149058_100012232248 [0,2,0,0,0,0|2,0,0]=4 16494 B12R0.5 CCOCCCOCCOCCI 7a_100012149058_100012232248 [0,2,0,0,0,0|2,0,0]=4 16495 B12R0.5 CCOCCCOCCOCCN 34a_100000211614_100012232248 [0,2,0,0,0,0|2,0,0]=4 16496 B12R0.5 CCOCCCOCCOCCO 34a_100000757476_100000692535 [0,2,0,0,0,0|1,0,0]=3 16497 B12R0.5 CCOCCCOCCOCCO 7a_100000757476_100011215305 [0,2,0,0,0,0|1,0,0]=3 16498 B12R0.5 CCOCCCSCCCCC#N 62a_100011219923_100012232248 [0,2,0,0,0,0|1,0,1]=4 16499 B12R0.5 CCOCCCSCCCCC#N 62a_100012232248_100000211819 [0,2,0,0,0,0|1,0,1]=4 16500 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,2,0,0,0,0|0,0,2]=4 16501 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,2,0,0,0,0|0,0,2]=4 16502 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,2,0,0,0,0|1,0,0]=3 16503 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,2,0,0,0,0|1,0,0]=3 16504 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,2,0,0,0,0|0,0,0]=2 16505 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,2,0,0,0,0|0,0,0]=2 16506 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,2,0,0,0,0|1,0,0]=3 16507 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,2,0,0,0,0|1,0,0]=3 16508 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [0,2,0,0,0,0|2,0,0]=4 16509 B12R0.5 CCOCCCSCCOCCO 62a_100011215305_100012232248 [0,2,0,0,0,0|1,0,0]=3 16510 B12R0.5 CCOCCCSCCOCCO 62a_100012232248_100011215305 [0,2,0,0,0,0|1,0,0]=3 16511 B12R0.5 CCOCCCSCOCCOC 62a_100000231047_100012232248 [0,2,0,0,0,0|2,0,0]=4 16512 B12R0.5 CCOCCCSCOCCOC 62a_100012232248_100000231047 [0,2,0,0,0,0|2,0,0]=4 16513 B12R0.5 CCOCCNCCCCCC#N 2230a_102516460346_100009813376 [0,2,0,0,0,0|1,0,1]=4 16514 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,2,0,0,0,0|0,0,2]=4 16515 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,2,0,0,0,0|1,0,0]=3 16516 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,2,0,0,0,0|1,0,0]=3 16517 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,2,0,0,0,0|0,0,0]=2 16518 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,2,0,0,0,0|0,0,0]=2 16519 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,2,0,0,0,0|0,0,0]=2 16520 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,2,0,0,0,0|0,0,0]=2 16521 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,2,0,0,0,0|1,0,0]=3 16522 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,2,0,0,0,0|1,0,0]=3 16523 B12R0.5 CCOCCNCCOCCOC 2230a_100000745349_100011215890 [0,2,0,0,0,0|2,0,0]=4 16524 B12R0.5 CCOCCNCCOCCOC 2230a_102516460346_100000695917 [0,2,0,0,0,0|2,0,0]=4 16525 B12R0.5 CCOCCNCCOCCOC 34a_100000745349_100000210147 [0,2,0,0,0,0|2,0,0]=4 16526 B12R0.5 CCOCCNCCOCCOC 34a_102516460346_100000695917 [0,2,0,0,0,0|2,0,0]=4 16527 B12R0.5 CCOCCNN=CCCCCO 4a_100000732670_100000031955 [0,2,0,0,0,0|1,0,1]=4 16528 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,2,0,0,0,0|1,0,1]=4 16529 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,2,0,0,0,0|0,0,2]=4 16530 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,2,0,0,0,0|1,0,0]=3 16531 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,2,0,0,0,0|1,0,0]=3 16532 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,2,0,0,0,0|1,0,0]=3 16533 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,2,0,0,0,0|1,0,0]=3 16534 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,2,0,0,0,0|1,0,0]=3 16535 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,2,0,0,0,0|1,0,0]=3 16536 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,2,0,0,0,0|1,0,0]=3 16537 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,2,0,0,0,0|1,0,0]=3 16538 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,2,0,0,0,0|1,0,0]=3 16539 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,2,0,0,0,0|0,0,0]=2 16540 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,2,0,0,0,0|0,0,0]=2 16541 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,2,0,0,0,0|2,0,0]=4 16542 B12R0.5 CCOCCOCCNCCCF 2230a_100015189416_100011211534 [0,2,0,0,0,0|2,0,0]=4 16543 B12R0.5 CCOCCOCCNCCCF 2230a_100102712874_100011934791 [0,2,0,0,0,0|2,0,0]=4 16544 B12R0.5 CCOCCOCCNCCCF 34a_100015189416_100011211534 [0,2,0,0,0,0|2,0,0]=4 16545 B12R0.5 CCOCCOCCNCCCF 34a_100102712874_100011934791 [0,2,0,0,0,0|2,0,0]=4 16546 B12R0.5 CCOCCOCCNCCCO 2230a_100102712874_100000230001 [0,2,0,0,0,0|1,0,0]=3 16547 B12R0.5 CCOCCOCCNCCCO 34a_100102712874_100000230001 [0,2,0,0,0,0|1,0,0]=3 16548 B12R0.5 CCOCCOCCNCCOC 2230a_100000209980_100011211534 [0,2,0,0,0,0|2,0,0]=4 16549 B12R0.5 CCOCCOCCNCCOC 2230a_100102712874_100011201679 [0,2,0,0,0,0|2,0,0]=4 16550 B12R0.5 CCOCCOCCNCCOC 34a_100102712874_100011201679 [0,2,0,0,0,0|2,0,0]=4 16551 B12R0.5 CCOCCOCCOCCCBr 34a_100011217188_100011211534 [0,2,0,0,0,0|2,0,0]=4 16552 B12R0.5 CCOCCOCCOCCCCl 34a_100000230001_100011211534 [0,2,0,0,0,0|2,0,0]=4 16553 B12R0.5 CCOCCOCCOCCCF 34a_100000210240_100011934791 [0,2,0,0,0,0|2,0,0]=4 16554 B12R0.5 CCOCCOCCOCCCF 34a_100000759539_100011211534 [0,2,0,0,0,0|2,0,0]=4 16555 B12R0.5 CCOCCOCCOCCCF 7a_100000210240_100011934791 [0,2,0,0,0,0|2,0,0]=4 16556 B12R0.5 CCOCCOCCOCCCN 34a_100000182051_100011211534 [0,2,0,0,0,0|2,0,0]=4 16557 B12R0.5 CCOCCOCCOCCCN 34a_100011996194_100000210202 [0,2,0,0,0,0|2,0,0]=4 16558 B12R0.5 CCOCCOCCOCCCO 34a_100000210240_100000230001 [0,2,0,0,0,0|1,0,0]=3 16559 B12R0.5 CCOCCOCCOCCCO 7a_100000210240_100011215043 [0,2,0,0,0,0|1,0,0]=3 16560 B12R0.5 CCOCCOCCOCCOC 34a_100000033264_200000210301 [0,2,0,0,0,0|2,0,0]=4 16561 B12R0.5 CCOCCOCCOCCOC 34a_100000210136_100000695917 [0,2,0,0,0,0|2,0,0]=4 16562 B12R0.5 CCOCCOCCOCCOC 34a_100000210237_100011211534 [0,2,0,0,0,0|2,0,0]=4 16563 B12R0.5 CCOCCOCCOCCOC 34a_100000210240_100011201679 [0,2,0,0,0,0|2,0,0]=4 16564 B12R0.5 CCOCCOCCOCCOC 34a_100000688194_100000210202 [0,2,0,0,0,0|2,0,0]=4 16565 B12R0.5 CCOCCOCCOCCOC 34a_100011215163_100000210147 [0,2,0,0,0,0|2,0,0]=4 16566 B12R0.5 CCOCCOCCOCCOC 34a_100121572206_100013367474 [0,2,0,0,0,0|2,0,0]=4 16567 B12R0.5 CCOCCOCCOCCOC 7a_100000033264_200000210301 [0,2,0,0,0,0|2,0,0]=4 16568 B12R0.5 CCOCCOCCOCCOC 7a_100000210136_100000695917 [0,2,0,0,0,0|2,0,0]=4 16569 B12R0.5 CCOCCOCCOCCOC 7a_100000210240_100000233755 [0,2,0,0,0,0|2,0,0]=4 16570 B12R0.5 CCOCCOCCOCCOC 7a_100000688194_100000210202 [0,2,0,0,0,0|2,0,0]=4 16571 B12R0.5 CCOCCOCCOCCOC 7a_100011215163_100011215890 [0,2,0,0,0,0|2,0,0]=4 16572 B12R0.5 CCOCCOCCOCCON 34a_100000700252_100011211534 [0,2,0,0,0,0|2,0,0]=4 16573 B12R0.5 CCOCCOCCOCCO[13CH3] 34a_100000033264_200025704644 [0,2,0,0,0,0|2,0,0]=4 16574 B12R0.5 CCOCCOCCOCCO[13CH3] 7a_100000033264_200025704644 [0,2,0,0,0,0|2,0,0]=4 16575 B12R0.5 CCOCCOCCSCCCF 62a_100011211534_100011934791 [0,2,0,0,0,0|2,0,0]=4 16576 B12R0.5 CCOCCOCCSCCCF 62a_100011934791_100011211534 [0,2,0,0,0,0|2,0,0]=4 16577 B12R0.5 CCOCCOCCSCCCO 62a_100011211534_100011215043 [0,2,0,0,0,0|1,0,0]=3 16578 B12R0.5 CCOCCOCCSCCCO 62a_100011215043_100011211534 [0,2,0,0,0,0|1,0,0]=3 16579 B12R0.5 CCOCCOCCSCCOC 62a_100000233755_100011211534 [0,2,0,0,0,0|2,0,0]=4 16580 B12R0.5 CCOCCOCCSCCOC 62a_100011211534_100000233755 [0,2,0,0,0,0|2,0,0]=4 16581 B12R0.5 CCOCCSCCCCCC#N 62a_100000210147_100009813376 [0,2,0,0,0,0|1,0,1]=4 16582 B12R0.5 CCOCCSCCCCCC#N 62a_100009813376_100011215890 [0,2,0,0,0,0|1,0,1]=4 16583 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,2,0,0,0,0|0,0,2]=4 16584 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,2,0,0,0,0|0,0,2]=4 16585 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,2,0,0,0,0|1,0,0]=3 16586 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,2,0,0,0,0|1,0,0]=3 16587 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,2,0,0,0,0|0,0,0]=2 16588 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,2,0,0,0,0|0,0,0]=2 16589 B12R0.5 CCOCCSCCOCCOC 62a_100000210147_100000695917 [0,2,0,0,0,0|2,0,0]=4 16590 B12R0.5 CCOCCSCCOCCOC 62a_100000695917_100011215890 [0,2,0,0,0,0|2,0,0]=4 16591 B12R0.5 CCOCSCCCCCCC#N 62a_100000739092_100009813337 [0,2,0,0,0,0|1,0,1]=4 16592 B12R0.5 CCOCSCCCCCCC#N 62a_100009813337_100000739092 [0,2,0,0,0,0|1,0,1]=4 16593 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,2,0,0,0,0|0,0,0]=2 16594 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,2,0,0,0,0|0,0,0]=2 16595 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,2,0,0,0,0|1,0,0]=3 16596 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,2,0,0,0,0|1,0,0]=3 16597 B12R0.5 CCOCSCCCOCCOC 62a_100000739092_100011216529 [0,2,0,0,0,0|2,0,0]=4 16598 B12R0.5 CCOCSCCCOCCOC 62a_100011216529_100000739092 [0,2,0,0,0,0|2,0,0]=4 16599 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,2,0,0,0,0|0,0,0]=2 16600 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,2,0,0,0,0|0,0,0]=2 16601 B12R0.5 CCSCCCOCCCCC#N 7a_100011216438_100000211819 [0,2,0,0,0,0|1,0,1]=4 16602 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,2,0,0,0,0|0,0,2]=4 16603 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [0,2,0,0,0,0|1,0,0]=3 16604 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [0,2,0,0,0,0|1,0,0]=3 16605 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,2,0,0,0,0|0,0,0]=2 16606 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,2,0,0,0,0|0,0,0]=2 16607 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [0,2,0,0,0,0|1,0,0]=3 16608 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [0,2,0,0,0,0|1,0,0]=3 16609 B12R0.5 CCSCCCOCCOCCO 34a_100011216438_100000692535 [0,2,0,0,0,0|1,0,0]=3 16610 B12R0.5 CCSCCCOCCOCCO 7a_100011216438_100011215305 [0,2,0,0,0,0|1,0,0]=3 16611 B12R0.5 CCSCCNCCCCCC#N 2230a_100000106463_100009813376 [0,2,0,0,0,0|1,0,1]=4 16612 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,2,0,0,0,0|0,0,2]=4 16613 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [0,2,0,0,0,0|1,0,0]=3 16614 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,2,0,0,0,0|0,0,0]=2 16615 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,2,0,0,0,0|0,0,0]=2 16616 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,2,0,0,0,0|0,0,0]=2 16617 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,2,0,0,0,0|1,0,0]=3 16618 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,2,0,0,0,0|1,0,0]=3 16619 B12R0.5 CCSCCNCCOCCOC 2230a_100000106463_100000695917 [0,2,0,0,0,0|2,0,0]=4 16620 B12R0.5 CCSCCNCCOCCOC 2230a_100000745349_100000757381 [0,2,0,0,0,0|2,0,0]=4 16621 B12R0.5 CCSCCNCCOCCOC 34a_100000745349_100000757381 [0,2,0,0,0,0|2,0,0]=4 16622 B12R0.5 CCSCCOCCCCCC#N 7a_100000212035_100009813376 [0,2,0,0,0,0|1,0,1]=4 16623 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,2,0,0,0,0|0,0,2]=4 16624 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [0,2,0,0,0,0|1,0,0]=3 16625 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [0,2,0,0,0,0|1,0,0]=3 16626 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [0,2,0,0,0,0|1,0,0]=3 16627 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [0,2,0,0,0,0|1,0,0]=3 16628 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [0,2,0,0,0,0|1,0,0]=3 16629 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [0,2,0,0,0,0|1,0,0]=3 16630 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [0,2,0,0,0,0|1,0,0]=3 16631 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [0,2,0,0,0,0|1,0,0]=3 16632 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [0,2,0,0,0,0|1,0,0]=3 16633 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,2,0,0,0,0|0,0,0]=2 16634 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,2,0,0,0,0|0,0,0]=2 16635 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,2,0,0,0,0|2,0,0]=4 16636 B12R0.5 CCSCCOCCOCCOC 34a_100000212035_100000695917 [0,2,0,0,0,0|2,0,0]=4 16637 B12R0.5 CCSCCOCCOCCOC 34a_100011215163_100000757381 [0,2,0,0,0,0|2,0,0]=4 16638 B12R0.5 CCSCCOCCOCCOC 62a_100000210202_100013367474 [0,2,0,0,0,0|2,0,0]=4 16639 B12R0.5 CCSCCOCCOCCOC 62a_100013367474_100000210202 [0,2,0,0,0,0|2,0,0]=4 16640 B12R0.5 CCSCCOCCOCCOC 7a_100000212035_100000695917 [0,2,0,0,0,0|2,0,0]=4 16641 B12R0.5 CCSCCOCCOCCOC 7a_100011215163_100000757381 [0,2,0,0,0,0|2,0,0]=4 16642 B12R0.5 CCSCCSCCCCCC#N 62a_100000757381_100009813376 [0,2,0,0,0,0|1,0,1]=4 16643 B12R0.5 CCSCCSCCCCCC#N 62a_100009813376_100000757381 [0,2,0,0,0,0|1,0,1]=4 16644 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,2,0,0,0,0|0,0,2]=4 16645 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,2,0,0,0,0|0,0,2]=4 16646 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [0,2,0,0,0,0|1,0,0]=3 16647 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [0,2,0,0,0,0|1,0,0]=3 16648 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,2,0,0,0,0|0,0,0]=2 16649 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,2,0,0,0,0|0,0,0]=2 16650 B12R0.5 CCSCCSCCOCCOC 62a_100000695917_100000757381 [0,2,0,0,0,0|2,0,0]=4 16651 B12R0.5 CCSCCSCCOCCOC 62a_100000757381_100000695917 [0,2,0,0,0,0|2,0,0]=4 16652 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,2,0,0,0,0|0,0,0]=2 16653 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,2,0,0,0,0|0,0,0]=2 16654 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,2,0,0,0,0|0,0,0]=2 16655 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,2,0,0,0,0|0,0,0]=2 16656 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,2,0,0,0,0|0,0,0]=2 16657 B12R0.5 CNCCCCCOCC#CCO 34a_100000722520_200000047223 [0,2,0,0,0,0|0,0,2]=4 16658 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,2,0,0,0,0|1,0,0]=3 16659 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,2,0,0,0,0|0,0,0]=2 16660 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,2,0,0,0,0|1,0,0]=3 16661 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,2,0,0,0,0|1,0,0]=3 16662 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,2,0,0,0,0|0,0,0]=2 16663 B12R0.5 CNCCCOCCOCCOC 34a_100000213112_100000695917 [0,2,0,0,0,0|2,0,0]=4 16664 B12R0.5 CNCCOCCOCCCCF 34a_100000228057_100000729493 [0,2,0,0,0,0|2,0,0]=4 16665 B12R0.5 CNCCOCCOCCCCO 34a_100000228057_100011216708 [0,2,0,0,0,0|1,0,0]=3 16666 B12R0.5 CNCCOCCOCCCOC 34a_100000228057_100000740836 [0,2,0,0,0,0|2,0,0]=4 16667 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,2,0,0,0,0|0,0,0]=2 16668 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,2,0,0,0,0|0,0,0]=2 16669 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,2,0,0,0,0|0,0,0]=2 16670 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,2,0,0,0,0|0,0,0]=2 16671 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,2,0,0,0,0|0,0,0]=2 16672 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,2,0,0,0,0|0,0,0]=2 16673 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,2,0,0,0,0|1,0,0]=3 16674 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,2,0,0,0,0|1,0,0]=3 16675 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,2,0,0,0,0|1,0,0]=3 16676 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,2,0,0,0,0|1,0,0]=3 16677 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,2,0,0,0,0|1,0,1]=4 16678 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,2,0,0,0,0|1,0,0]=3 16679 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,2,0,0,0,0|1,0,0]=3 16680 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,2,0,0,0,0|1,0,0]=3 16681 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,2,0,0,0,0|1,0,0]=3 16682 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,2,0,0,0,0|1,0,0]=3 16683 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,2,0,0,0,0|1,0,0]=3 16684 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,2,0,0,0,0|0,0,0]=2 16685 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,2,0,0,0,0|0,0,0]=2 16686 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,2,0,0,0,0|1,0,0]=3 16687 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,2,0,0,0,0|1,0,0]=3 16688 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,2,0,0,0,0|1,0,0]=3 16689 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,2,0,0,0,0|1,0,0]=3 16690 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,2,0,0,0,0|1,0,0]=3 16691 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,2,0,0,0,0|1,0,0]=3 16692 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,2,0,0,0,0|1,0,0]=3 16693 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,2,0,0,0,0|1,0,0]=3 16694 B12R0.5 COCCCCCCSCCC#N 62a_100011215226_100011998445 [0,2,0,0,0,0|1,0,1]=4 16695 B12R0.5 COCCCCCCSCCC#N 62a_100011998445_100011215226 [0,2,0,0,0,0|1,0,1]=4 16696 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,2,0,0,0,0|1,0,0]=3 16697 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,2,0,0,0,0|1,0,0]=3 16698 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,2,0,0,0,0|0,0,0]=2 16699 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,2,0,0,0,0|0,0,0]=2 16700 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,2,0,0,0,0|1,0,0]=3 16701 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,2,0,0,0,0|1,0,0]=3 16702 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,2,0,0,0,0|1,0,0]=3 16703 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,2,0,0,0,0|1,0,0]=3 16704 B12R0.5 COCCCCCNCC#CCO 2230a_100000747528_200000047223 [0,2,0,0,0,0|0,0,2]=4 16705 B12R0.5 COCCCCCNCC#CCO 34a_100000747528_200000047223 [0,2,0,0,0,0|0,0,2]=4 16706 B12R0.5 COCCCCCNCCCC#N 2230a_100000747528_100000687738 [0,2,0,0,0,0|1,0,1]=4 16707 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,2,0,0,0,0|0,0,2]=4 16708 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,2,0,0,0,0|1,0,0]=3 16709 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,2,0,0,0,0|1,0,0]=3 16710 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,2,0,0,0,0|0,0,0]=2 16711 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,2,0,0,0,0|0,0,0]=2 16712 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,2,0,0,0,0|1,0,0]=3 16713 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,2,0,0,0,0|1,0,0]=3 16714 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,2,0,0,0,0|0,0,0]=2 16715 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,2,0,0,0,0|0,0,0]=2 16716 B12R0.5 COCCCCNCCOCCO 2230a_100000211614_100000730899 [0,2,0,0,0,0|1,0,0]=3 16717 B12R0.5 COCCCCNCCOCCO 34a_100000211614_100000755781 [0,2,0,0,0,0|1,0,0]=3 16718 B12R0.5 COCCCCNCCSCCO 2230a_100011219999_100000730899 [0,2,0,0,0,0|1,0,0]=3 16719 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,2,0,0,0,0|1,0,0]=3 16720 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,2,0,0,0,0|1,0,0]=3 16721 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,2,0,0,0,0|1,0,0]=3 16722 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,2,0,0,0,0|1,0,0]=3 16723 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,2,0,0,0,0|1,0,0]=3 16724 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,2,0,0,0,0|1,0,0]=3 16725 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,2,0,0,0,0|1,0,0]=3 16726 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,2,0,0,0,0|1,0,0]=3 16727 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,2,0,0,0,0|0,0,0]=2 16728 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,2,0,0,0,0|1,0,0]=3 16729 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,2,0,0,0,0|1,0,0]=3 16730 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,2,0,0,0,0|1,0,0]=3 16731 B12R0.5 COCCCCOCCOCCBr 34a_100000692535_100000755781 [0,2,0,0,0,0|2,0,0]=4 16732 B12R0.5 COCCCCOCCOCCBr 7a_100000692535_100000730899 [0,2,0,0,0,0|2,0,0]=4 16733 B12R0.5 COCCCCOCCOCCCl 34a_100011215305_100000755781 [0,2,0,0,0,0|2,0,0]=4 16734 B12R0.5 COCCCCOCCOCCCl 7a_100011215305_100000730899 [0,2,0,0,0,0|2,0,0]=4 16735 B12R0.5 COCCCCOCCOCCF 34a_200015357709_100000755781 [0,2,0,0,0,0|2,0,0]=4 16736 B12R0.5 COCCCCOCCOCCF 7a_200015357709_100000730899 [0,2,0,0,0,0|2,0,0]=4 16737 B12R0.5 COCCCCOCCOCCI 34a_100012149058_100000755781 [0,2,0,0,0,0|2,0,0]=4 16738 B12R0.5 COCCCCOCCOCCI 7a_100012149058_100000730899 [0,2,0,0,0,0|2,0,0]=4 16739 B12R0.5 COCCCCOCCOCCN 34a_100000211614_100000755781 [0,2,0,0,0,0|2,0,0]=4 16740 B12R0.5 COCCCCOCCOCCO 34a_100000740925_100000692535 [0,2,0,0,0,0|1,0,0]=3 16741 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,2,0,0,0,0|1,0,1]=4 16742 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,2,0,0,0,0|1,0,1]=4 16743 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,2,0,0,0,0|0,0,2]=4 16744 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,2,0,0,0,0|0,0,2]=4 16745 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,2,0,0,0,0|1,0,0]=3 16746 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,2,0,0,0,0|1,0,0]=3 16747 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,2,0,0,0,0|0,0,0]=2 16748 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,2,0,0,0,0|0,0,0]=2 16749 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,2,0,0,0,0|1,0,0]=3 16750 B12R0.5 COCCCCSCCOCCO 62a_100000730899_100011215305 [0,2,0,0,0,0|1,0,0]=3 16751 B12R0.5 COCCCCSCCOCCO 62a_100011215305_100000730899 [0,2,0,0,0,0|1,0,0]=3 16752 B12R0.5 COCCCCSCOCCOC 62a_100000231047_100000730899 [0,2,0,0,0,0|2,0,0]=4 16753 B12R0.5 COCCCCSCOCCOC 62a_100000730899_100000231047 [0,2,0,0,0,0|2,0,0]=4 16754 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,2,0,0,0,0|1,0,0]=3 16755 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,2,0,0,0,0|0,0,0]=2 16756 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,2,0,0,0,0|0,0,0]=2 16757 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,2,0,0,0,0|0,0,0]=2 16758 B12R0.5 COCCCNCCOCCOC 2230a_100000745349_100000740836 [0,2,0,0,0,0|2,0,0]=4 16759 B12R0.5 COCCCNCCOCCOC 34a_100000745349_100000740836 [0,2,0,0,0,0|2,0,0]=4 16760 B12R0.5 COCCCNCCOCCOC 34a_100150723488_100000695917 [0,2,0,0,0,0|2,0,0]=4 16761 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,2,0,0,0,0|1,0,0]=3 16762 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,2,0,0,0,0|1,0,0]=3 16763 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,2,0,0,0,0|1,0,0]=3 16764 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,2,0,0,0,0|1,0,0]=3 16765 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,2,0,0,0,0|1,0,0]=3 16766 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,2,0,0,0,0|1,0,0]=3 16767 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,2,0,0,0,0|1,0,0]=3 16768 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,2,0,0,0,0|1,0,0]=3 16769 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,2,0,0,0,0|0,0,0]=2 16770 B12R0.5 COCCCOCCCOCCF 34a_200011215475_100011217306 [0,2,0,0,0,0|2,0,0]=4 16771 B12R0.5 COCCCOCCCOCCF 7a_200011215475_100011217306 [0,2,0,0,0,0|2,0,0]=4 16772 B12R0.5 COCCCOCCCOCCO 34a_200011215475_100000211926 [0,2,0,0,0,0|1,0,0]=3 16773 B12R0.5 COCCCOCCCOCCO 7a_200011215475_100000211926 [0,2,0,0,0,0|1,0,0]=3 16774 B12R0.5 COCCCOCCCOCSC 34a_200011215475_100011218213 [0,2,0,0,0,0|2,0,0]=4 16775 B12R0.5 COCCCOCCOCCOC 34a_100000740835_100000695917 [0,2,0,0,0,0|2,0,0]=4 16776 B12R0.5 COCCCOCCOCCOC 34a_100011215163_100000740836 [0,2,0,0,0,0|2,0,0]=4 16777 B12R0.5 COCCCOCCOCCOC 7a_100011215163_100000740836 [0,2,0,0,0,0|2,0,0]=4 16778 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,2,0,0,0,0|1,0,1]=4 16779 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,2,0,0,0,0|1,0,1]=4 16780 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,2,0,0,0,0|0,0,2]=4 16781 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,2,0,0,0,0|0,0,2]=4 16782 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,2,0,0,0,0|1,0,0]=3 16783 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,2,0,0,0,0|1,0,0]=3 16784 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,2,0,0,0,0|0,0,0]=2 16785 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,2,0,0,0,0|0,0,0]=2 16786 B12R0.5 COCCCSCCOCCOC 62a_100000695917_100000709357 [0,2,0,0,0,0|2,0,0]=4 16787 B12R0.5 COCCCSCCOCCOC 62a_100000709357_100000695917 [0,2,0,0,0,0|2,0,0]=4 16788 B12R0.5 COCCNCCCCCCC#N 2230a_100000209980_100009813337 [0,2,0,0,0,0|1,0,1]=4 16789 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,2,0,0,0,0|0,0,0]=2 16790 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,2,0,0,0,0|0,0,0]=2 16791 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,2,0,0,0,0|0,0,0]=2 16792 B12R0.5 COCCNCCCOCCCO 2230a_100011310245_100011201679 [0,2,0,0,0,0|1,0,0]=3 16793 B12R0.5 COCCNCCCOCCCO 34a_100011310245_100011201679 [0,2,0,0,0,0|1,0,0]=3 16794 B12R0.5 COCCNCCCOCCOC 2230a_100000206027_100011201679 [0,2,0,0,0,0|2,0,0]=4 16795 B12R0.5 COCCNCCCOCCOC 2230a_100000209980_100011216529 [0,2,0,0,0,0|2,0,0]=4 16796 B12R0.5 COCCNCCCOCCOC 34a_100000206027_100011201679 [0,2,0,0,0,0|2,0,0]=4 16797 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,2,0,0,0,0|1,0,0]=3 16798 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,2,0,0,0,0|1,0,0]=3 16799 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,2,0,0,0,0|1,0,0]=3 16800 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,2,0,0,0,0|0,0,0]=2 16801 B12R0.5 COCCOCCCNCCCF 2230a_100000206027_100011934791 [0,2,0,0,0,0|2,0,0]=4 16802 B12R0.5 COCCOCCCNCCCF 2230a_100015189416_100011216529 [0,2,0,0,0,0|2,0,0]=4 16803 B12R0.5 COCCOCCCNCCCF 34a_100000206027_100011934791 [0,2,0,0,0,0|2,0,0]=4 16804 B12R0.5 COCCOCCCNCCCF 34a_100015189416_100011216529 [0,2,0,0,0,0|2,0,0]=4 16805 B12R0.5 COCCOCCCNCCCO 2230a_100000206027_100000230001 [0,2,0,0,0,0|1,0,0]=3 16806 B12R0.5 COCCOCCCNCCCO 34a_100000206027_100000230001 [0,2,0,0,0,0|1,0,0]=3 16807 B12R0.5 COCCOCCCNCCSC 2230a_100000206027_100000751147 [0,2,0,0,0,0|2,0,0]=4 16808 B12R0.5 COCCOCCCNCCSC 2230a_100020590264_100011216529 [0,2,0,0,0,0|2,0,0]=4 16809 B12R0.5 COCCOCCCNCCSC 34a_100000206027_100000212216 [0,2,0,0,0,0|2,0,0]=4 16810 B12R0.5 COCCOCCCOCCCBr 34a_100011217188_100011216529 [0,2,0,0,0,0|2,0,0]=4 16811 B12R0.5 COCCOCCCOCCCCl 34a_100000230001_100011216529 [0,2,0,0,0,0|2,0,0]=4 16812 B12R0.5 COCCOCCCOCCCF 34a_100000759539_100011216529 [0,2,0,0,0,0|2,0,0]=4 16813 B12R0.5 COCCOCCCOCCCN 34a_100000182051_100011216529 [0,2,0,0,0,0|2,0,0]=4 16814 B12R0.5 COCCOCCCOCCCN 34a_100011310245_100011201679 [0,2,0,0,0,0|2,0,0]=4 16815 B12R0.5 COCCOCCCOCCOC 34a_100000210237_100011216529 [0,2,0,0,0,0|2,0,0]=4 16816 B12R0.5 COCCOCCCOCCON 34a_100000700252_100011216529 [0,2,0,0,0,0|2,0,0]=4 16817 B12R0.5 COCCOCCCOCCSC 34a_100000230434_100011216529 [0,2,0,0,0,0|2,0,0]=4 16818 B12R0.5 COCCOCCCOCCSC 7a_100000230434_100011216529 [0,2,0,0,0,0|2,0,0]=4 16819 B12R0.5 COCCOCCCSCCCF 62a_100011216529_100011934791 [0,2,0,0,0,0|2,0,0]=4 16820 B12R0.5 COCCOCCCSCCCF 62a_100011934791_100011216529 [0,2,0,0,0,0|2,0,0]=4 16821 B12R0.5 COCCOCCCSCCCO 62a_100011215043_100011216529 [0,2,0,0,0,0|1,0,0]=3 16822 B12R0.5 COCCOCCCSCCCO 62a_100011216529_100011215043 [0,2,0,0,0,0|1,0,0]=3 16823 B12R0.5 COCCOCCCSCCOC 62a_100000233755_100011216529 [0,2,0,0,0,0|2,0,0]=4 16824 B12R0.5 COCCOCCCSCCOC 62a_100011216529_100000233755 [0,2,0,0,0,0|2,0,0]=4 16825 B12R0.5 COCCOCCCSCCSC 62a_100000212216_100011216529 [0,2,0,0,0,0|2,0,0]=4 16826 B12R0.5 COCCOCCCSCCSC 62a_100011216529_100000751147 [0,2,0,0,0,0|2,0,0]=4 16827 B12R0.5 COCCOCCNCCCCF 2230a_100000745349_100000729493 [0,2,0,0,0,0|2,0,0]=4 16828 B12R0.5 COCCOCCNCCCCF 34a_100000745349_100000729493 [0,2,0,0,0,0|2,0,0]=4 16829 B12R0.5 COCCOCCNCCCCO 2230a_100000745349_100000210776 [0,2,0,0,0,0|1,0,0]=3 16830 B12R0.5 COCCOCCNCCCCO 2230a_100000750430_100000695917 [0,2,0,0,0,0|1,0,0]=3 16831 B12R0.5 COCCOCCNCCCCO 34a_100000745349_100011216708 [0,2,0,0,0,0|1,0,0]=3 16832 B12R0.5 COCCOCCNCCCCO 34a_100000750430_100000695917 [0,2,0,0,0,0|1,0,0]=3 16833 B12R0.5 COCCOCCNCCCSC 2230a_100000749238_100000695917 [0,2,0,0,0,0|2,0,0]=4 16834 B12R0.5 COCCOCCOCCCCBr 34a_100011216708_100000695917 [0,2,0,0,0,0|2,0,0]=4 16835 B12R0.5 COCCOCCOCCCCCl 34a_100000210776_100000695917 [0,2,0,0,0,0|2,0,0]=4 16836 B12R0.5 COCCOCCOCCCCCl 7a_100000210776_100000695917 [0,2,0,0,0,0|2,0,0]=4 16837 B12R0.5 COCCOCCOCCCCF 34a_100011215163_100000729493 [0,2,0,0,0,0|2,0,0]=4 16838 B12R0.5 COCCOCCOCCCCF 34a_100011995726_100000695917 [0,2,0,0,0,0|2,0,0]=4 16839 B12R0.5 COCCOCCOCCCCF 7a_100011215163_100000729493 [0,2,0,0,0,0|2,0,0]=4 16840 B12R0.5 COCCOCCOCCCCF 7a_100011995726_100000695917 [0,2,0,0,0,0|2,0,0]=4 16841 B12R0.5 COCCOCCOCCCCI 34a_200012148704_100000695917 [0,2,0,0,0,0|2,0,0]=4 16842 B12R0.5 COCCOCCOCCCCN 34a_100000750430_100000695917 [0,2,0,0,0,0|2,0,0]=4 16843 B12R0.5 COCCOCCOCCCCO 34a_100011215163_100011216708 [0,2,0,0,0,0|1,0,0]=3 16844 B12R0.5 COCCOCCOCCCCO 7a_100011215163_100000210776 [0,2,0,0,0,0|1,0,0]=3 16845 B12R0.5 COCCOCCOCCCSC 34a_100000690336_100000695917 [0,2,0,0,0,0|2,0,0]=4 16846 B12R0.5 COCCOCCOCCCSC 7a_100000690336_100000695917 [0,2,0,0,0,0|2,0,0]=4 16847 B12R0.5 COCCOCCSCCCCF 62a_100000695917_100000729493 [0,2,0,0,0,0|2,0,0]=4 16848 B12R0.5 COCCOCCSCCCCF 62a_100000729493_100000695917 [0,2,0,0,0,0|2,0,0]=4 16849 B12R0.5 COCCOCCSCCCCO 62a_100000210776_100000695917 [0,2,0,0,0,0|1,0,0]=3 16850 B12R0.5 COCCOCCSCCCCO 62a_100000695917_100000210776 [0,2,0,0,0,0|1,0,0]=3 16851 B12R0.5 COCCOCNCCCCCO 2230a_100000762737_100000231047 [0,2,0,0,0,0|1,0,0]=3 16852 B12R0.5 COCCOCNCCOCCO 2230a_100000211614_100000231047 [0,2,0,0,0,0|2,0,0]=4 16853 B12R0.5 COCCOCNCCSCCO 2230a_100011219999_100000231047 [0,2,0,0,0,0|2,0,0]=4 16854 B12R0.5 COCCOCSCCCCCF 62a_100000231047_100000729378 [0,2,0,0,0,0|2,0,0]=4 16855 B12R0.5 COCCOCSCCCCCF 62a_100000729378_100000231047 [0,2,0,0,0,0|2,0,0]=4 16856 B12R0.5 COCCOCSCCCCCO 62a_100000231047_100000746330 [0,2,0,0,0,0|1,0,0]=3 16857 B12R0.5 COCCOCSCCCCCO 62a_100000746330_100000231047 [0,2,0,0,0,0|1,0,0]=3 16858 B12R0.5 COCCOCSCCOCCO 62a_100000231047_100011215305 [0,2,0,0,0,0|2,0,0]=4 16859 B12R0.5 COCCOCSCCOCCO 62a_100011215305_100000231047 [0,2,0,0,0,0|2,0,0]=4 16860 B12R0.5 COCCSCCCCCCC#N 62a_100000233755_100009813337 [0,2,0,0,0,0|1,0,1]=4 16861 B12R0.5 COCCSCCCCCCC#N 62a_100009813337_100000233755 [0,2,0,0,0,0|1,0,1]=4 16862 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,2,0,0,0,0|0,0,0]=2 16863 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,2,0,0,0,0|0,0,0]=2 16864 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,2,0,0,0,0|0,0,0]=2 16865 B12R0.5 COCNCCOCCOCCO 2230a_100011998139_100000766300 [0,2,0,0,0,0|2,0,0]=4 16866 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,2,0,0,0,0|0,0,0]=2 16867 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,2,0,0,0,0|0,0,0]=2 16868 B12R0.5 COCSCCOCCOCCO 62a_100000032323_100000766300 [0,2,0,0,0,0|2,0,0]=4 16869 B12R0.5 COCSCCOCCOCCO 62a_100000766300_100000032323 [0,2,0,0,0,0|2,0,0]=4 16870 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,2,0,0,0,0|0,0,0]=2 16871 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,2,0,0,0,0|0,0,0]=2 16872 B12R0.5 CSCCCCOCCCCC#N 7a_100011217163_100000211819 [0,2,0,0,0,0|1,0,1]=4 16873 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,2,0,0,0,0|0,0,2]=4 16874 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,2,0,0,0,0|1,0,0]=3 16875 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,2,0,0,0,0|1,0,0]=3 16876 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,2,0,0,0,0|0,0,0]=2 16877 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,2,0,0,0,0|0,0,0]=2 16878 B12R0.5 CSCCCCOCCOCCO 34a_100011217163_100000692535 [0,2,0,0,0,0|1,0,0]=3 16879 B12R0.5 CSCCCCOCCOCCO 7a_100011217163_100011215305 [0,2,0,0,0,0|1,0,0]=3 16880 B12R0.5 CSCCCNCCCCCC#N 2230a_100000749238_100009813376 [0,2,0,0,0,0|1,0,1]=4 16881 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,2,0,0,0,0|0,0,2]=4 16882 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,2,0,0,0,0|1,0,0]=3 16883 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,2,0,0,0,0|0,0,0]=2 16884 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [0,2,0,0,0,0|1,0,1]=4 16885 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,2,0,0,0,0|0,0,2]=4 16886 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,2,0,0,0,0|1,0,0]=3 16887 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,2,0,0,0,0|1,0,0]=3 16888 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,2,0,0,0,0|0,0,0]=2 16889 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,2,0,0,0,0|0,0,0]=2 16890 B12R0.5 CSCCNCCCCCCC#N 2230a_100020590264_100009813337 [0,2,0,0,0,0|1,0,1]=4 16891 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,2,0,0,0,0|0,0,0]=2 16892 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,2,0,0,0,0|0,0,0]=2 16893 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,2,0,0,0,0|0,0,0]=2 16894 B12R0.5 CSCCNCCCOCCCO 2230a_100011310245_100000751147 [0,2,0,0,0,0|1,0,0]=3 16895 B12R0.5 CSCCNCCCOCCCO 34a_100011310245_100000212216 [0,2,0,0,0,0|1,0,0]=3 16896 B12R0.5 CSCCOCCCCCCC#N 7a_100000230434_100009813337 [0,2,0,0,0,0|1,0,1]=4 16897 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,2,0,0,0,0|1,0,0]=3 16898 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,2,0,0,0,0|1,0,0]=3 16899 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,2,0,0,0,0|1,0,0]=3 16900 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,2,0,0,0,0|0,0,0]=2 16901 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,2,0,0,0,0|0,0,0]=2 16902 B12R0.5 CSCCOCCCOCCCN 34a_100011310245_100000212216 [0,2,0,0,0,0|2,0,0]=4 16903 B12R0.5 CSCCSCCCCCCC#N 62a_100000212216_100009813337 [0,2,0,0,0,0|1,0,1]=4 16904 B12R0.5 CSCCSCCCCCCC#N 62a_100009813337_100000751147 [0,2,0,0,0,0|1,0,1]=4 16905 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,2,0,0,0,0|0,0,0]=2 16906 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,2,0,0,0,0|0,0,0]=2 16907 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,2,0,0,0,0|0,0,0]=2 16908 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,2,0,0,0,0|0,0,0]=2 16909 B12R0.5 CSCNCCOCCOCCO 2230a_100011998139_100011218213 [0,2,0,0,0,0|2,0,0]=4 16910 B12R0.5 CSCNCCOCCOCCO 34a_100011998139_100011218213 [0,2,0,0,0,0|2,0,0]=4 16911 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,2,0,0,0,0|1,0,0]=3 16912 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,2,0,0,0,0|1,0,0]=3 16913 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,2,0,0,0,0|1,0,0]=3 16914 B12R0.5 CSCOCCCCCNCCN 34a_103619048469_100011218213 [0,2,0,0,0,0|2,0,0]=4 16915 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,2,0,0,0,0|0,0,0]=2 16916 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,2,0,0,0,0|0,0,0]=2 16917 B12R0.5 CSCSCCOCCOCCO 62a_100000032323_100011218213 [0,2,0,0,0,0|2,0,0]=4 16918 B12R0.5 CSCSCCOCCOCCO 62a_100011218213_100000032323 [0,2,0,0,0,0|2,0,0]=4 16919 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,2,0,0,0,0|1,0,0]=3 16920 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,2,0,0,0,0|1,0,0]=3 16921 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,2,0,0,0,0|1,0,0]=3 16922 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,2,0,0,0,0|1,0,0]=3 16923 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,2,0,0,0,0|1,0,0]=3 16924 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,2,0,0,0,0|1,0,0]=3 16925 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,2,0,0,0,0|1,0,0]=3 16926 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,2,0,0,0,0|1,0,0]=3 16927 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,2,0,0,0,0|1,0,0]=3 16928 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,2,0,0,0,0|1,0,0]=3 16929 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,2,0,0,0,0|1,0,0]=3 16930 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,2,0,0,0,0|1,0,0]=3 16931 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,2,0,0,0,0|1,0,0]=3 16932 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,2,0,0,0,0|1,0,0]=3 16933 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,2,0,0,0,0|1,0,0]=3 16934 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,2,0,0,0,0|1,0,0]=3 16935 B12R0.5 FCCCCCOCCOCCBr 34a_100000692535_100000729378 [0,2,0,0,0,0|2,0,0]=4 16936 B12R0.5 FCCCCCOCCOCCBr 7a_100000692535_100000729378 [0,2,0,0,0,0|2,0,0]=4 16937 B12R0.5 FCCCCCOCCOCCCl 34a_100011215305_100000729378 [0,2,0,0,0,0|2,0,0]=4 16938 B12R0.5 FCCCCCOCCOCCCl 7a_100011215305_100000729378 [0,2,0,0,0,0|2,0,0]=4 16939 B12R0.5 FCCCCCOCCOCCF 34a_200015357709_100000729378 [0,2,0,0,0,0|2,0,0]=4 16940 B12R0.5 FCCCCCOCCOCCF 7a_200015357709_100000729378 [0,2,0,0,0,0|2,0,0]=4 16941 B12R0.5 FCCCCCOCCOCCI 34a_100012149058_100000729378 [0,2,0,0,0,0|2,0,0]=4 16942 B12R0.5 FCCCCCOCCOCCI 7a_100012149058_100000729378 [0,2,0,0,0,0|2,0,0]=4 16943 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,2,0,0,0,0|1,0,0]=3 16944 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,2,0,0,0,0|1,0,0]=3 16945 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,2,0,0,0,0|1,0,0]=3 16946 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,2,0,0,0,0|1,0,0]=3 16947 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,2,0,0,0,0|1,0,0]=3 16948 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,2,0,0,0,0|1,0,0]=3 16949 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,2,0,0,0,0|1,0,0]=3 16950 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,2,0,0,0,0|1,0,0]=3 16951 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,2,0,0,0,0|1,0,0]=3 16952 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,2,0,0,0,0|1,0,0]=3 16953 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,2,0,0,0,0|1,0,0]=3 16954 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,2,0,0,0,0|1,0,0]=3 16955 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,2,0,0,0,0|1,0,0]=3 16956 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,2,0,0,0,0|1,0,0]=3 16957 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,2,0,0,0,0|1,0,0]=3 16958 B12R0.5 N#CCCCCCCNCCCF 2230a_100015189416_100009813337 [0,2,0,0,0,0|1,0,1]=4 16959 B12R0.5 N#CCCCCCCSCCCF 62a_100009813337_100011934791 [0,2,0,0,0,0|1,0,1]=4 16960 B12R0.5 N#CCCCCCCSCCCF 62a_100011934791_100009813337 [0,2,0,0,0,0|1,0,1]=4 16961 B12R0.5 N#CCCCCCCSCCCO 62a_100009813337_100011215043 [0,2,0,0,0,0|0,0,1]=3 16962 B12R0.5 N#CCCCCCCSCCCO 62a_100011215043_100009813337 [0,2,0,0,0,0|0,0,1]=3 16963 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,2,0,0,0,0|0,0,1]=3 16964 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,2,0,0,0,0|1,0,1]=4 16965 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,2,0,0,0,0|1,0,1]=4 16966 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,2,0,0,0,0|1,0,1]=4 16967 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,2,0,0,0,0|1,0,1]=4 16968 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,2,0,0,0,0|0,0,1]=3 16969 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,2,0,0,0,0|0,0,1]=3 16970 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,2,0,0,0,0|0,0,1]=3 16971 B12R0.5 N#CCCCCNCCOCCO 2230a_100000211614_100000211819 [0,2,0,0,0,0|1,0,1]=4 16972 B12R0.5 N#CCCCCNCCSCCO 2230a_100011219999_100000211819 [0,2,0,0,0,0|1,0,1]=4 16973 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,2,0,0,0,0|1,0,1]=4 16974 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,2,0,0,0,0|1,0,1]=4 16975 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,2,0,0,0,0|1,0,1]=4 16976 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,2,0,0,0,0|1,0,1]=4 16977 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,2,0,0,0,0|1,0,1]=4 16978 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,2,0,0,0,0|0,0,1]=3 16979 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,2,0,0,0,0|0,0,1]=3 16980 B12R0.5 N#CCCCCSCCOCCO 62a_100011215305_100000211819 [0,2,0,0,0,0|1,0,1]=4 16981 B12R0.5 N#CCCCCSCCOCCO 62a_100011219923_100011215305 [0,2,0,0,0,0|1,0,1]=4 16982 B12R0.5 N#CCCCNCCCCCCO 2230a_100000686447_100000687738 [0,2,0,0,0,0|0,0,1]=3 16983 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,2,0,0,0,0|1,0,1]=4 16984 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,2,0,0,0,0|1,0,1]=4 16985 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,2,0,0,0,0|1,0,1]=4 16986 B12R0.5 N#CCCCSCCCCCCF 62a_100000687738_100015922095 [0,2,0,0,0,0|1,0,1]=4 16987 B12R0.5 N#CCCCSCCCCCCF 62a_100015922095_100000687738 [0,2,0,0,0,0|1,0,1]=4 16988 B12R0.5 N#CCCCSCCCCCCO 62a_100000687738_100000766143 [0,2,0,0,0,0|0,0,1]=3 16989 B12R0.5 N#CCCCSCCCCCCO 62a_100000766143_100000687738 [0,2,0,0,0,0|0,0,1]=3 16990 B12R0.5 N#CCCNCCCCCCCO 2230a_100011996573_100011215226 [0,2,0,0,0,0|0,0,1]=3 16991 B12R0.5 N#CCCNCCCOCCCO 2230a_100011310245_100011215226 [0,2,0,0,0,0|1,0,1]=4 16992 B12R0.5 N#CCCOCCCCCCCBr 7a_100000760002_100000184422 [0,2,0,0,0,0|1,0,1]=4 16993 B12R0.5 N#CCCSCCCCCCCO 62a_100000760002_100011215226 [0,2,0,0,0,0|0,0,1]=3 16994 B12R0.5 N#CCCSCCCCCCCO 62a_100011215226_100000760002 [0,2,0,0,0,0|0,0,1]=3 16995 B12R0.5 N#CCNCCCCCCCCO 2230a_102515433106_100011215382 [0,2,0,0,0,0|0,0,1]=3 16996 B12R0.5 N#CCOCCCCCCCCBr 7a_100009813846_100011215382 [0,2,0,0,0,0|1,0,1]=4 16997 B12R0.5 N#CCOCCCCCCCCCl 7a_100000033203_100011215382 [0,2,0,0,0,0|1,0,1]=4 16998 B12R0.5 N#CCOCCNCCCCCO 2230a_100000762737_200000047693 [0,2,0,0,0,0|1,0,1]=4 16999 B12R0.5 N#CCOCCSCCCCCO 62a_100000746330_200000047693 [0,2,0,0,0,0|1,0,1]=4 17000 B12R0.5 N#CCOCCSCCCCCO 62a_200000047693_100000746330 [0,2,0,0,0,0|1,0,1]=4 17001 B12R0.5 N#CCSCCCCCCCCO 62a_100000033203_100011215382 [0,2,0,0,0,0|0,0,1]=3 17002 B12R0.5 N#CCSCCCCCCCCO 62a_100011215382_100000033203 [0,2,0,0,0,0|0,0,1]=3 17003 B12R0.5 N#CSCCSCCCCCCO 62a_100000034367_100000766143 [0,2,0,0,0,0|1,0,1]=4 17004 B12R0.5 N#CSCCSCCCCCCO 62a_100000766143_100000034367 [0,2,0,0,0,0|1,0,1]=4 17005 B12R0.5 N#CSCSCCCCCCCO 62a_100000211825_100000760002 [0,2,0,0,0,0|1,0,1]=4 17006 B12R0.5 N#CSCSCCCCCCCO 62a_100000760002_100000211825 [0,2,0,0,0,0|1,0,1]=4 17007 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,2,0,0,0,0|1,0,0]=3 17008 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,2,0,0,0,0|0,0,2]=4 17009 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,2,0,0,0,0|1,0,0]=3 17010 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,2,0,0,0,0|0,0,0]=2 17011 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,2,0,0,0,0|1,0,0]=3 17012 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,2,0,0,0,0|0,0,0]=2 17013 B12R0.5 NCCCCCCOCC#CCO 34a_100000686447_200000047223 [0,2,0,0,0,0|0,0,2]=4 17014 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,2,0,0,0,0|1,0,0]=3 17015 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,2,0,0,0,0|0,0,0]=2 17016 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,2,0,0,0,0|1,0,0]=3 17017 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,2,0,0,0,0|0,0,0]=2 17018 B12R0.5 NCCCCCOCCOCCO 34a_100000762737_100000692535 [0,2,0,0,0,0|1,0,0]=3 17019 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,2,0,0,0,0|1,0,0]=3 17020 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,2,0,0,0,0|0,0,0]=2 17021 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,2,0,0,0,0|0,0,0]=2 17022 B12R0.5 NCCCOCCCOCCCF 34a_100011310245_100011934791 [0,2,0,0,0,0|2,0,0]=4 17023 B12R0.5 NCCCOCCCOCCCO 34a_100011310245_100000230001 [0,2,0,0,0,0|1,0,0]=3 17024 B12R0.5 NCCNCCCCCOCCF 34a_103619048469_100011217306 [0,2,0,0,0,0|2,0,0]=4 17025 B12R0.5 NCCNCCCCCOCCO 34a_103619048469_100000211926 [0,2,0,0,0,0|1,0,0]=3 17026 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,2,0,0,0,0|0,0,0]=2 17027 B12R0.5 NCCOCCOCCCCCF 34a_100000211614_100000729378 [0,2,0,0,0,0|2,0,0]=4 17028 B12R0.5 NCCOCCOCCCCCO 34a_100000211614_100000746330 [0,2,0,0,0,0|1,0,0]=3 17029 B12R0.5 NCCOCCOCCOCCO 34a_100000210304_100000032323 [0,2,0,0,0,0|2,0,0]=4 17030 B12R0.5 NCCOCCOCCOCCO 34a_100000211614_100000692535 [0,2,0,0,0,0|2,0,0]=4 17031 B12R0.5 NCCOCCOCCOCCO 34a_100011998139_100000211926 [0,2,0,0,0,0|2,0,0]=4 17032 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,2,0,0,0,0|1,0,0]=3 17033 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,2,0,0,0,0|0,0,1]=3 17034 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,2,0,0,0,0|0,0,2]=4 17035 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,2,0,0,0,0|0,0,2]=4 17036 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,2,0,0,0,0|0,0,2]=4 17037 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,2,0,0,0,0|0,0,2]=4 17038 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,2,0,0,0,0|0,0,1]=3 17039 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,2,0,0,0,0|0,0,1]=3 17040 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,2,0,0,0,0|0,0,1]=3 17041 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,2,0,0,0,0|1,0,1]=4 17042 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,2,0,0,0,0|1,0,1]=4 17043 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,2,0,0,0,0|0,0,2]=4 17044 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,2,0,0,0,0|0,0,2]=4 17045 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,2,0,0,0,0|0,0,2]=4 17046 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,2,0,0,0,0|0,0,2]=4 17047 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,2,0,0,0,0|0,0,2]=4 17048 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,2,0,0,0,0|0,0,1]=3 17049 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,2,0,0,0,0|0,0,1]=3 17050 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,2,0,0,0,0|1,0,1]=4 17051 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,2,0,0,0,0|1,0,1]=4 17052 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,2,0,0,0,0|0,0,1]=3 17053 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,2,0,0,0,0|0,0,2]=4 17054 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,2,0,0,0,0|0,0,2]=4 17055 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,2,0,0,0,0|0,0,2]=4 17056 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,2,0,0,0,0|0,0,2]=4 17057 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,2,0,0,0,0|0,0,2]=4 17058 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,2,0,0,0,0|0,0,1]=3 17059 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,2,0,0,0,0|0,0,1]=3 17060 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,2,0,0,0,0|0,0,1]=3 17061 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,2,0,0,0,0|0,0,1]=3 17062 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,2,0,0,0,0|0,0,2]=4 17063 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,2,0,0,0,0|0,0,2]=4 17064 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,2,0,0,0,0|0,0,2]=4 17065 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,2,0,0,0,0|0,0,2]=4 17066 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,2,0,0,0,0|0,0,1]=3 17067 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,2,0,0,0,0|0,0,1]=3 17068 B12R0.5 OCC#CCNCCCCCCO 2230a_100000686447_200000047223 [0,2,0,0,0,0|0,0,2]=4 17069 B12R0.5 OCC#CCNCCCCCCO 34a_100000686447_200000047223 [0,2,0,0,0,0|0,0,2]=4 17070 B12R0.5 OCC#CCOCCCCCCBr 34a_100011215345_200000047223 [0,2,0,0,0,0|0,0,2]=4 17071 B12R0.5 OCC#CCOCCCCCCBr 7a_100011215345_200000047223 [0,2,0,0,0,0|0,0,2]=4 17072 B12R0.5 OCC#CCOCCCCCCCl 34a_100000766143_200000047223 [0,2,0,0,0,0|0,0,2]=4 17073 B12R0.5 OCC#CCOCCCCCCCl 7a_100000766143_200000047223 [0,2,0,0,0,0|0,0,2]=4 17074 B12R0.5 OCC#CCOCCCCCCF 34a_100000732779_200000047223 [0,2,0,0,0,0|0,0,2]=4 17075 B12R0.5 OCC#CCOCCCCCCF 7a_100000732779_200000047223 [0,2,0,0,0,0|0,0,2]=4 17076 B12R0.5 OCC#CCSCCCCCCF 62a_100015922095_200000047223 [0,2,0,0,0,0|0,0,2]=4 17077 B12R0.5 OCC#CCSCCCCCCF 62a_200000047223_100015922095 [0,2,0,0,0,0|0,0,2]=4 17078 B12R0.5 OCC#CCSCCCCCCO 62a_100000766143_200000047223 [0,2,0,0,0,0|0,0,2]=4 17079 B12R0.5 OCC#CCSCCCCCCO 62a_200000047223_100000766143 [0,2,0,0,0,0|0,0,2]=4 17080 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,2,0,0,0,0|0,0,0]=2 17081 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,2,0,0,0,0|0,0,0]=2 17082 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,2,0,0,0,0|0,0,0]=2 17083 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,2,0,0,0,0|0,0,0]=2 17084 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,2,0,0,0,0|0,0,0]=2 17085 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,2,0,0,0,0|0,0,0]=2 17086 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,2,0,0,0,0|0,0,0]=2 17087 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,2,0,0,0,0|0,0,0]=2 17088 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,2,0,0,0,0|0,0,0]=2 17089 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,2,0,0,0,0|0,0,0]=2 17090 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,2,0,0,0,0|0,0,0]=2 17091 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,2,0,0,0,0|0,0,0]=2 17092 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,2,0,0,0,0|0,0,0]=2 17093 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,2,0,0,0,0|0,0,0]=2 17094 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,2,0,0,0,0|0,0,0]=2 17095 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,2,0,0,0,0|0,0,0]=2 17096 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,2,0,0,0,0|0,0,0]=2 17097 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,2,0,0,0,0|0,0,0]=2 17098 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,2,0,0,0,0|0,0,0]=2 17099 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,2,0,0,0,0|0,0,0]=2 17100 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,2,0,0,0,0|0,0,0]=2 17101 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,2,0,0,0,0|0,0,0]=2 17102 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,2,0,0,0,0|0,0,0]=2 17103 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,2,0,0,0,0|0,0,0]=2 17104 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,2,0,0,0,0|0,0,0]=2 17105 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,2,0,0,0,0|0,0,0]=2 17106 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,2,0,0,0,0|0,0,0]=2 17107 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,2,0,0,0,0|0,0,0]=2 17108 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,2,0,0,0,0|0,0,0]=2 17109 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,2,0,0,0,0|0,0,0]=2 17110 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,2,0,0,0,0|0,0,0]=2 17111 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,2,0,0,0,0|0,0,0]=2 17112 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,2,0,0,0,0|0,0,0]=2 17113 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,2,0,0,0,0|0,0,0]=2 17114 B12R0.5 OCCCCCCOCC#CCCl 34a_200000047223_100000766143 [0,2,0,0,0,0|0,0,2]=4 17115 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,2,0,0,0,0|0,0,0]=2 17116 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,2,0,0,0,0|0,0,0]=2 17117 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,2,0,0,0,0|0,0,0]=2 17118 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,2,0,0,0,0|0,0,0]=2 17119 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,2,0,0,0,0|0,0,0]=2 17120 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,2,0,0,0,0|0,0,0]=2 17121 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,2,0,0,0,0|0,0,0]=2 17122 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,2,0,0,0,0|0,0,0]=2 17123 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,2,0,0,0,0|0,0,0]=2 17124 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,2,0,0,0,0|0,0,0]=2 17125 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,2,0,0,0,0|0,0,0]=2 17126 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,2,0,0,0,0|0,0,0]=2 17127 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,2,0,0,0,0|0,0,0]=2 17128 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,2,0,0,0,0|0,0,0]=2 17129 B12R0.5 OCCCCCNCCOCCO 2230a_100000211614_100000746330 [0,2,0,0,0,0|1,0,0]=3 17130 B12R0.5 OCCCCCNCCOCCO 2230a_100000762737_100011215305 [0,2,0,0,0,0|1,0,0]=3 17131 B12R0.5 OCCCCCNCCOCCO 34a_100000211614_100000746330 [0,2,0,0,0,0|1,0,0]=3 17132 B12R0.5 OCCCCCNCCOCCO 34a_100000762737_100000692535 [0,2,0,0,0,0|1,0,0]=3 17133 B12R0.5 OCCCCCNCCSCCO 2230a_100011219999_100000746330 [0,2,0,0,0,0|1,0,0]=3 17134 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,2,0,0,0,0|0,0,0]=2 17135 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,2,0,0,0,0|0,0,0]=2 17136 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,2,0,0,0,0|0,0,0]=2 17137 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,2,0,0,0,0|0,0,0]=2 17138 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,2,0,0,0,0|0,0,0]=2 17139 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,2,0,0,0,0|0,0,0]=2 17140 B12R0.5 OCCCCCOCCOCCBr 34a_100000692535_100000746330 [0,2,0,0,0,0|1,0,0]=3 17141 B12R0.5 OCCCCCOCCOCCBr 7a_100000692535_100000746330 [0,2,0,0,0,0|1,0,0]=3 17142 B12R0.5 OCCCCCOCCOCCCl 34a_100011215305_100000746330 [0,2,0,0,0,0|1,0,0]=3 17143 B12R0.5 OCCCCCOCCOCCCl 7a_100011215305_100000746330 [0,2,0,0,0,0|1,0,0]=3 17144 B12R0.5 OCCCCCOCCOCCF 34a_200015357709_100000746330 [0,2,0,0,0,0|1,0,0]=3 17145 B12R0.5 OCCCCCOCCOCCF 7a_200015357709_100000746330 [0,2,0,0,0,0|1,0,0]=3 17146 B12R0.5 OCCCCCOCCOCCI 34a_100012149058_100000746330 [0,2,0,0,0,0|1,0,0]=3 17147 B12R0.5 OCCCCCOCCOCCI 7a_100012149058_100000746330 [0,2,0,0,0,0|1,0,0]=3 17148 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,2,0,0,0,0|0,0,0]=2 17149 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,2,0,0,0,0|0,0,0]=2 17150 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,2,0,0,0,0|0,0,0]=2 17151 B12R0.5 OCCCCCSCCOCCO 62a_100000746330_100011215305 [0,2,0,0,0,0|1,0,0]=3 17152 B12R0.5 OCCCCCSCCOCCO 62a_100011215305_100000746330 [0,2,0,0,0,0|1,0,0]=3 17153 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,2,0,0,0,0|0,0,0]=2 17154 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,2,0,0,0,0|0,0,0]=2 17155 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,2,0,0,0,0|0,0,0]=2 17156 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,2,0,0,0,0|0,0,0]=2 17157 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,2,0,0,0,0|0,0,0]=2 17158 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,2,0,0,0,0|0,0,0]=2 17159 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,2,0,0,0,0|0,0,0]=2 17160 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,2,0,0,0,0|0,0,0]=2 17161 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,2,0,0,0,0|0,0,0]=2 17162 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,2,0,0,0,0|0,0,0]=2 17163 B12R0.5 OCCCNCCCOCCCO 2230a_100011310245_100000230001 [0,2,0,0,0,0|1,0,0]=3 17164 B12R0.5 OCCCNCCCOCCCO 34a_100011310245_100000230001 [0,2,0,0,0,0|1,0,0]=3 17165 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,2,0,0,0,0|0,0,0]=2 17166 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,2,0,0,0,0|0,0,0]=2 17167 B12R0.5 OCCCOCCCNCCCF 2230a_100011310245_100011934791 [0,2,0,0,0,0|1,0,0]=3 17168 B12R0.5 OCCCOCCCNCCCF 34a_100011310245_100011934791 [0,2,0,0,0,0|1,0,0]=3 17169 B12R0.5 OCCNCCOCCOCCO 2230a_100011998139_100000211926 [0,2,0,0,0,0|2,0,0]=4 17170 B12R0.5 OCCNCCOCCOCCO 2230a_100016997473_100000032323 [0,2,0,0,0,0|2,0,0]=4 17171 B12R0.5 OCCNCCOCCOCCO 34a_100011998139_100000211926 [0,2,0,0,0,0|2,0,0]=4 17172 B12R0.5 OCCNCCOCCOCCO 34a_100016990907_100000032323 [0,2,0,0,0,0|2,0,0]=4 17173 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,2,0,0,0,0|0,0,0]=2 17174 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,2,0,0,0,0|0,0,0]=2 17175 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,2,0,0,0,0|0,0,0]=2 17176 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,2,0,0,0,0|0,0,0]=2 17177 B12R0.5 OCCOCCNCCCCCF 2230a_100000211614_100000729378 [0,2,0,0,0,0|1,0,0]=3 17178 B12R0.5 OCCOCCNCCCCCF 34a_100000211614_100000729378 [0,2,0,0,0,0|1,0,0]=3 17179 B12R0.5 OCCOCCNCCOCCO 2230a_100000211614_100011215305 [0,2,0,0,0,0|2,0,0]=4 17180 B12R0.5 OCCOCCNCCOCCO 34a_100000211614_100000692535 [0,2,0,0,0,0|2,0,0]=4 17181 B12R0.5 OCCOCCNCCSCCO 2230a_100011219999_100011215305 [0,2,0,0,0,0|2,0,0]=4 17182 B12R0.5 OCCOCCOCCCCCBr 34a_100000746331_100000692535 [0,2,0,0,0,0|1,0,0]=3 17183 B12R0.5 OCCOCCOCCCCCBr 7a_100000746331_100011215305 [0,2,0,0,0,0|1,0,0]=3 17184 B12R0.5 OCCOCCOCCCCCCl 34a_100000746330_100000692535 [0,2,0,0,0,0|1,0,0]=3 17185 B12R0.5 OCCOCCOCCCCCCl 7a_100000746330_100011215305 [0,2,0,0,0,0|1,0,0]=3 17186 B12R0.5 OCCOCCOCCCCCI 34a_200012148887_100000692535 [0,2,0,0,0,0|1,0,0]=3 17187 B12R0.5 OCCOCCOCCCCCI 7a_200012148887_100011215305 [0,2,0,0,0,0|1,0,0]=3 17188 B12R0.5 OCCOCCOCCCNCF 34a_100011996194_100015361967 [0,2,0,0,0,0|2,0,0]=4 17189 B12R0.5 OCCOCCOCCNCCF 2230a_100011998139_100011217306 [0,2,0,0,0,0|2,0,0]=4 17190 B12R0.5 OCCOCCOCCNCCF 34a_100000724931_100000032323 [0,2,0,0,0,0|2,0,0]=4 17191 B12R0.5 OCCOCCOCCNCCF 34a_100011998139_100011217306 [0,2,0,0,0,0|2,0,0]=4 17192 B12R0.5 OCCOCCOCCOCCBr 34a_100000211926_100000032323 [0,2,0,0,0,0|2,0,0]=4 17193 B12R0.5 OCCOCCOCCOCCBr 34a_100000692535_100000692535 [0,2,0,0,0,0|2,0,0]=4 17194 B12R0.5 OCCOCCOCCOCCBr 34a_100010132937_100000211926 [0,2,0,0,0,0|2,0,0]=4 17195 B12R0.5 OCCOCCOCCOCCBr 7a_100000692535_100011215305 [0,2,0,0,0,0|2,0,0]=4 17196 B12R0.5 OCCOCCOCCOCCBr 7a_100010132937_100000211926 [0,2,0,0,0,0|2,0,0]=4 17197 B12R0.5 OCCOCCOCCOCCCl 34a_100000032323_100000211926 [0,2,0,0,0,0|2,0,0]=4 17198 B12R0.5 OCCOCCOCCOCCCl 34a_100011215305_100000692535 [0,2,0,0,0,0|2,0,0]=4 17199 B12R0.5 OCCOCCOCCOCCCl 7a_100000032323_100000211926 [0,2,0,0,0,0|2,0,0]=4 17200 B12R0.5 OCCOCCOCCOCCCl 7a_100011215305_100011215305 [0,2,0,0,0,0|2,0,0]=4 17201 B12R0.5 OCCOCCOCCOCCF 34a_200015357709_100000692535 [0,2,0,0,0,0|2,0,0]=4 17202 B12R0.5 OCCOCCOCCOCCF 7a_200015357709_100011215305 [0,2,0,0,0,0|2,0,0]=4 17203 B12R0.5 OCCOCCOCCOCCI 34a_100012149058_100000692535 [0,2,0,0,0,0|2,0,0]=4 17204 B12R0.5 OCCOCCOCCOCCI 7a_100012149058_100011215305 [0,2,0,0,0,0|2,0,0]=4 17205 B12R0.5 OCCOCCOCCSCCF 62a_100000032323_100011217306 [0,2,0,0,0,0|2,0,0]=4 17206 B12R0.5 OCCOCCOCCSCCF 62a_100011217306_100000032323 [0,2,0,0,0,0|2,0,0]=4 17207 B12R0.5 OCCOCCOCCSCCO 62a_100000032323_100000211926 [0,2,0,0,0,0|2,0,0]=4 17208 B12R0.5 OCCOCCOCCSCCO 62a_100000211926_100000032323 [0,2,0,0,0,0|2,0,0]=4 17209 B12R0.5 OCCOCCSCCCCCF 62a_100000729378_100011215305 [0,2,0,0,0,0|1,0,0]=3 17210 B12R0.5 OCCOCCSCCCCCF 62a_100011215305_100000729378 [0,2,0,0,0,0|1,0,0]=3 17211 B12R0.5 OCCOCCSCCOCCO 62a_100011215305_100011215305 [0,2,0,0,0,0|2,0,0]=4 17212 B12R0.5 OCCSCCNCCCCCF 2230a_100011219999_100000729378 [0,2,0,0,0,0|1,0,0]=3 17213 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,2,0,0,0,0|0,0,0]=2 17214 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,2,0,0,0,0|0,0,0]=2 17215 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,2,0,0,0,0|0,0,0]=2 17216 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,2,0,0,0,0|0,0,0]=2 17217 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,2,0,0,0,0|0,0,0]=2 17218 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,2,0,0,0,0|0,0,0]=2 17219 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,2,0,0,0,0|0,0,0]=2 17220 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,2,0,0,0,0|0,0,0]=2 17221 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,2,0,0,0,0|0,0,0]=2 17222 B12R0.5 [N-]=[N+]=NCCCCCCNCCO 2230a_200000049180_100000211926 [0,2,0,0,0,0|2,0,0]=4 17223 B12R0.5 [N-]=[N+]=NCCCCNCCCCO 2230a_100000101370_100000210776 [0,2,0,0,0,0|2,0,0]=4 17224 B12R0.5 [N-]=[N+]=NCCCNCCCCCO 2230a_100000744732_100000746330 [0,2,0,0,0,0|2,0,0]=4 17225 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,2,0,0,0,0|1,0,1]=4 17226 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,2,0,0,0,0|1,0,1]=4 17227 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,2,0,0,0,0|0,0,2]=4 17228 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,2,0,0,0,0|0,0,2]=4 17229 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,2,0,0,0,0|1,0,1]=4 17230 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,2,0,0,0,0|1,0,1]=4 17231 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [0,2,0,0,0,0|0,0,2]=4 17232 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [0,2,0,0,0,0|0,0,2]=4 17233 B12R0.47 C#CCCCCN(C)CCCCC 2230a_100000223495_100010269958 [0,2,0,0,0,0|1,0,1]=4 17234 B12R0.47 C#CCCCCN(C)CCCCC 269982a_100000223495_100010269958 [0,2,0,0,0,0|1,0,1]=4 17235 B12R0.47 C#CCCCCN(C)CCCCO 2230a_100000717598_100010269958 [0,2,0,0,0,0|0,0,2]=4 17236 B12R0.47 C#CCCCCN(C)CCCCO 269982a_100000717598_100010269958 [0,2,0,0,0,0|0,0,2]=4 17237 B12R0.47 C#CCCCN(C)CCCCCC 2230a_106256046315_100000731252 [0,2,0,0,0,0|1,0,1]=4 17238 B12R0.47 C#CCCCN(C)CCCCCC 269982a_106256046315_100011215417 [0,2,0,0,0,0|1,0,1]=4 17239 B12R0.47 C#CCCCN(C)CCCCCO 2230a_100000722520_100000731252 [0,2,0,0,0,0|0,0,2]=4 17240 B12R0.47 C#CCCCN(C)CCCCCO 269982a_100000722520_100011215417 [0,2,0,0,0,0|0,0,2]=4 17241 B12R0.47 C#CCCCNC(C)CCCCC 2230a_100000211957_100000731252 [0,2,0,0,0,0|1,0,1]=4 17242 B12R0.47 C#CCCCNC(C)CCCCC 270004a_100000718082_100000211708 [0,2,0,0,0,0|1,0,1]=4 17243 B12R0.47 C#CCCCNC(C)CCCCC 34a_100000718082_200011218191 [0,2,0,0,0,0|1,0,1]=4 17244 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,2,0,0,0,0|1,0,1]=4 17245 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,2,0,0,0,0|1,0,1]=4 17246 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,2,0,0,0,0|1,0,1]=4 17247 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,2,0,0,0,0|1,0,1]=4 17248 B12R0.47 C#CCCCSC(C)CCCCC 62a_100011215417_200011218191 [0,2,0,0,0,0|1,0,1]=4 17249 B12R0.47 C#CCCCSC(C)CCCCC 62a_200011218191_100011215417 [0,2,0,0,0,0|1,0,1]=4 17250 B12R0.47 C#CCCNC(C)CCCCCC 2230a_100000210919_100000688953 [0,2,0,0,0,0|1,0,1]=4 17251 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000210919_100000688953 [0,2,0,0,0,0|1,0,1]=4 17252 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000755551_100011215978 [0,2,0,0,0,0|1,0,1]=4 17253 B12R0.47 C#CCCOC(C)CCCCCC 34a_100000210265_100000688953 [0,2,0,0,0,0|1,0,1]=4 17254 B12R0.47 C#CCCOC(C)CCCCCC 34a_100011215631_100011215978 [0,2,0,0,0,0|1,0,1]=4 17255 B12R0.47 C#CCCOC(C)CCCCCC 7a_100000210265_100000688953 [0,2,0,0,0,0|1,0,1]=4 17256 B12R0.47 C#CCCSC(C)CCCCCC 62a_100000688953_100011215978 [0,2,0,0,0,0|1,0,1]=4 17257 B12R0.47 C#CCCSC(C)CCCCCC 62a_100011215978_100000688953 [0,2,0,0,0,0|1,0,1]=4 17258 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,2,0,0,0,0|1,0,1]=4 17259 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,2,0,0,0,0|1,0,1]=4 17260 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,2,0,0,0,0|0,0,2]=4 17261 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,2,0,0,0,0|0,0,2]=4 17262 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,2,0,0,0,0|1,0,1]=4 17263 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,2,0,0,0,0|1,0,1]=4 17264 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,2,0,0,0,0|0,0,2]=4 17265 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,2,0,0,0,0|0,0,2]=4 17266 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,2,0,0,0,0|1,0,1]=4 17267 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,2,0,0,0,0|1,0,1]=4 17268 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,2,0,0,0,0|1,0,1]=4 17269 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,2,0,0,0,0|1,0,1]=4 17270 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [0,2,0,0,0,0|0,0,2]=4 17271 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [0,2,0,0,0,0|0,0,2]=4 17272 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [0,2,0,0,0,0|0,0,2]=4 17273 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [0,2,0,0,0,0|0,0,2]=4 17274 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,2,0,0,0,0|1,0,1]=4 17275 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,2,0,0,0,0|1,0,1]=4 17276 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [0,2,0,0,0,0|0,0,2]=4 17277 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [0,2,0,0,0,0|0,0,2]=4 17278 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,2,0,0,0,0|1,0,1]=4 17279 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,2,0,0,0,0|1,0,1]=4 17280 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,2,0,0,0,0|1,0,1]=4 17281 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,2,0,0,0,0|1,0,1]=4 17282 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,2,0,0,0,0|1,0,1]=4 17283 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,2,0,0,0,0|1,0,1]=4 17284 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,2,0,0,0,0|1,0,1]=4 17285 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,2,0,0,0,0|1,0,1]=4 17286 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,2,0,0,0,0|1,0,1]=4 17287 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,2,0,0,0,0|1,0,1]=4 17288 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,2,0,0,0,0|1,0,1]=4 17289 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,2,0,0,0,0|1,0,1]=4 17290 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,2,0,0,0,0|1,0,1]=4 17291 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,2,0,0,0,0|1,0,1]=4 17292 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,2,0,0,0,0|1,0,1]=4 17293 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,2,0,0,0,0|1,0,1]=4 17294 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,2,0,0,0,0|1,0,1]=4 17295 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,2,0,0,0,0|1,0,1]=4 17296 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,2,0,0,0,0|1,0,1]=4 17297 B12R0.47 CC(CCCC#N)NCCCCO 270004a_100000750430_200000032708 [0,2,0,0,0,0|1,0,1]=4 17298 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,2,0,0,0,0|0,0,2]=4 17299 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,2,0,0,0,0|0,0,2]=4 17300 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,2,0,0,0,0|0,0,2]=4 17301 B12R0.47 CC/C=C\CCN(C)CCCCO 2230a_100000717598_100015370543 [0,2,0,0,0,0|0,0,2]=4 17302 B12R0.47 CC/C=C\CCN(C)CCCCO 269982a_100000717598_100015370543 [0,2,0,0,0,0|0,0,2]=4 17303 B12R0.47 CC/C=C\CN(C)CCCCCO 2230a_100000722520_100103147603 [0,2,0,0,0,0|0,0,2]=4 17304 B12R0.47 CC/C=C\CN(C)CCCCCO 269982a_100000722520_100103147603 [0,2,0,0,0,0|0,0,2]=4 17305 B12R0.47 CCC#CCC(=O)CCCCCO 1458a_100102619762_100009813939 [0,2,0,0,0,0|0,0,2]=4 17306 B12R0.47 CCC#CCC(C)OCCCCO 34a_200000035118_100011216708 [0,2,0,0,0,0|0,0,2]=4 17307 B12R0.47 CCC#CCC(C)OCCCCO 7a_200000035118_100000210776 [0,2,0,0,0,0|0,0,2]=4 17308 B12R0.47 CCC#CCN(C)CCCCCO 2230a_100000722520_100009813939 [0,2,0,0,0,0|0,0,2]=4 17309 B12R0.47 CCC/C=C/CC(=O)CCCCO 1458a_200016266809_100000210776 [0,2,0,0,0,0|0,0,2]=4 17310 B12R0.47 CCCC#CC(=O)CCCCCO 1458a_200011218047_100000746330 [0,2,0,0,0,0|0,0,2]=4 17311 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,2,0,0,0,0|0,0,2]=4 17312 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,2,0,0,0,0|0,0,2]=4 17313 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,2,0,0,0,0|1,0,1]=4 17314 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,2,0,0,0,0|1,0,0]=3 17315 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,2,0,0,0,0|0,0,0]=2 17316 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,2,0,0,0,0|0,0,0]=2 17317 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,2,0,0,0,0|0,0,1]=3 17318 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,2,0,0,0,0|1,0,1]=4 17319 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,2,0,0,0,0|1,0,1]=4 17320 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,2,0,0,0,0|0,0,1]=3 17321 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,2,0,0,0,0|0,0,1]=3 17322 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,2,0,0,0,0|1,0,1]=4 17323 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,2,0,0,0,0|1,0,1]=4 17324 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [0,2,0,0,0,0|1,0,1]=4 17325 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [0,2,0,0,0,0|1,0,1]=4 17326 B12R0.47 CCCCCC(=O)CNCCOC 2230a_100000209980_200012276598 [0,2,0,0,0,0|1,0,1]=4 17327 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,2,0,0,0,0|1,0,1]=4 17328 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,2,0,0,0,0|1,0,1]=4 17329 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,2,0,0,0,0|1,0,1]=4 17330 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,2,0,0,0,0|1,0,1]=4 17331 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,2,0,0,0,0|1,0,1]=4 17332 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,2,0,0,0,0|1,0,1]=4 17333 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,2,0,0,0,0|1,0,1]=4 17334 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,2,0,0,0,0|1,0,1]=4 17335 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,2,0,0,0,0|1,0,1]=4 17336 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,2,0,0,0,0|1,0,1]=4 17337 B12R0.47 CCCCCC(=O)COCCON 34a_100000700252_200012276598 [0,2,0,0,0,0|1,0,1]=4 17338 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,2,0,0,0,0|1,0,1]=4 17339 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,2,0,0,0,0|1,0,1]=4 17340 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,2,0,0,0,0|1,0,1]=4 17341 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [0,2,0,0,0,0|1,0,1]=4 17342 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [0,2,0,0,0,0|1,0,1]=4 17343 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [0,2,0,0,0,0|0,0,1]=3 17344 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [0,2,0,0,0,0|0,0,1]=3 17345 B12R0.47 CCCCCC(=O)CSCCOC 62a_100000233755_200012276598 [0,2,0,0,0,0|1,0,1]=4 17346 B12R0.47 CCCCCC(=O)CSCCOC 62a_200012276598_100000233755 [0,2,0,0,0,0|1,0,1]=4 17347 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,2,0,0,0,0|0,0,1]=3 17348 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,2,0,0,0,0|0,0,1]=3 17349 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [0,2,0,0,0,0|1,0,1]=4 17350 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [0,2,0,0,0,0|1,0,1]=4 17351 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [0,2,0,0,0,0|1,0,1]=4 17352 B12R0.47 CCCCCC(C)NCC#CCO 2230a_100000211957_200000047223 [0,2,0,0,0,0|0,0,2]=4 17353 B12R0.47 CCCCCC(C)NCCCC#N 2230a_100000211957_100000687738 [0,2,0,0,0,0|1,0,1]=4 17354 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,2,0,0,0,0|0,0,2]=4 17355 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [0,2,0,0,0,0|1,0,0]=3 17356 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,2,0,0,0,0|0,0,0]=2 17357 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,2,0,0,0,0|0,0,0]=2 17358 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,2,0,0,0,0|0,0,0]=2 17359 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,2,0,0,0,0|0,0,0]=2 17360 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,2,0,0,0,0|1,0,0]=3 17361 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,2,0,0,0,0|1,0,0]=3 17362 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,2,0,0,0,0|1,0,0]=3 17363 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,2,0,0,0,0|1,1,0]=4 17364 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,2,0,0,0,0|1,1,0]=4 17365 B12R0.47 CCCCCC(C)NCCOCC 2230a_100000211957_100011215890 [0,2,0,0,0,0|2,0,0]=4 17366 B12R0.47 CCCCCC(C)NCCOCC 2230a_102516460346_200011218191 [0,2,0,0,0,0|2,0,0]=4 17367 B12R0.47 CCCCCC(C)NCCOCC 270004a_102516460346_100000211708 [0,2,0,0,0,0|2,0,0]=4 17368 B12R0.47 CCCCCC(C)NCCOCC 34a_102516460346_200011218191 [0,2,0,0,0,0|2,0,0]=4 17369 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000106463_200011218191 [0,2,0,0,0,0|2,0,0]=4 17370 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000211957_100000757381 [0,2,0,0,0,0|2,0,0]=4 17371 B12R0.47 CCCCCC(C)NCCSCC 270004a_100000106463_100000211708 [0,2,0,0,0,0|2,0,0]=4 17372 B12R0.47 CCCCCC(C)OCC#CCO 34a_100011215632_200000047223 [0,2,0,0,0,0|0,0,2]=4 17373 B12R0.47 CCCCCC(C)OCC#CCO 7a_100011215632_200000047223 [0,2,0,0,0,0|0,0,2]=4 17374 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,2,0,0,0,0|1,0,1]=4 17375 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,2,0,0,0,0|0,0,2]=4 17376 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,2,0,0,0,0|1,0,0]=3 17377 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,2,0,0,0,0|1,0,0]=3 17378 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,2,0,0,0,0|1,0,0]=3 17379 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,2,0,0,0,0|1,0,0]=3 17380 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,2,0,0,0,0|1,0,0]=3 17381 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,2,0,0,0,0|1,0,0]=3 17382 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,2,0,0,0,0|1,0,0]=3 17383 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,2,0,0,0,0|1,0,0]=3 17384 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,2,0,0,0,0|1,0,0]=3 17385 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,2,0,0,0,0|0,0,0]=2 17386 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,2,0,0,0,0|0,0,0]=2 17387 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,2,0,0,0,0|2,0,0]=4 17388 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,2,0,0,0,0|1,0,0]=3 17389 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,2,0,0,0,0|1,0,0]=3 17390 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,2,0,0,0,0|1,0,0]=3 17391 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,2,0,0,0,0|1,1,0]=4 17392 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,2,0,0,0,0|1,1,0]=4 17393 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [0,2,0,0,0,0|2,0,0]=4 17394 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [0,2,0,0,0,0|2,0,0]=4 17395 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [0,2,0,0,0,0|2,0,0]=4 17396 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [0,2,0,0,0,0|2,0,0]=4 17397 B12R0.47 CCCCCC(C)OCCSCC 34a_100000212035_200011218191 [0,2,0,0,0,0|2,0,0]=4 17398 B12R0.47 CCCCCC(C)OCCSCC 34a_100011215632_100000757381 [0,2,0,0,0,0|2,0,0]=4 17399 B12R0.47 CCCCCC(C)OCCSCC 7a_100000212035_200011218191 [0,2,0,0,0,0|2,0,0]=4 17400 B12R0.47 CCCCCC(C)OCCSCC 7a_100011215632_100000757381 [0,2,0,0,0,0|2,0,0]=4 17401 B12R0.47 CCCCCC(C)SCC#CCO 62a_200000047223_200011218191 [0,2,0,0,0,0|0,0,2]=4 17402 B12R0.47 CCCCCC(C)SCC#CCO 62a_200011218191_200000047223 [0,2,0,0,0,0|0,0,2]=4 17403 B12R0.47 CCCCCC(C)SCCCC#N 62a_100000687738_200011218191 [0,2,0,0,0,0|1,0,1]=4 17404 B12R0.47 CCCCCC(C)SCCCC#N 62a_200011218191_100000687738 [0,2,0,0,0,0|1,0,1]=4 17405 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,2,0,0,0,0|0,0,2]=4 17406 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,2,0,0,0,0|0,0,2]=4 17407 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [0,2,0,0,0,0|1,0,0]=3 17408 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [0,2,0,0,0,0|1,0,0]=3 17409 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,2,0,0,0,0|0,0,0]=2 17410 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,2,0,0,0,0|0,0,0]=2 17411 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,2,0,0,0,0|1,0,0]=3 17412 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,2,0,0,0,0|1,0,0]=3 17413 B12R0.47 CCCCCC(C)SCCOCC 62a_100000210147_200011218191 [0,2,0,0,0,0|2,0,0]=4 17414 B12R0.47 CCCCCC(C)SCCOCC 62a_200011218191_100011215890 [0,2,0,0,0,0|2,0,0]=4 17415 B12R0.47 CCCCCC(C)SCCSCC 62a_100000757381_200011218191 [0,2,0,0,0,0|2,0,0]=4 17416 B12R0.47 CCCCCC(C)SCCSCC 62a_200011218191_100000757381 [0,2,0,0,0,0|2,0,0]=4 17417 B12R0.47 CCCCCCC(=NNCCO)C 4a_100000210001_100000210826 [0,2,0,0,0,0|1,0,1]=4 17418 B12R0.47 CCCCCCC(=O)CC#CCO 1458a_100102632555_200000047223 [0,2,0,0,0,0|0,0,2]=4 17419 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,2,0,0,0,0|1,0,1]=4 17420 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,2,0,0,0,0|1,0,1]=4 17421 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,2,0,0,0,0|1,0,0]=3 17422 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,2,0,0,0,0|1,0,0]=3 17423 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,2,0,0,0,0|1,0,0]=3 17424 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,2,0,0,0,0|0,0,0]=2 17425 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,2,0,0,0,0|0,0,0]=2 17426 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,2,0,0,0,0|0,0,1]=3 17427 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,2,0,0,0,0|0,0,1]=3 17428 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,2,0,0,0,0|0,1,1]=4 17429 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,2,0,0,0,0|1,0,1]=4 17430 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,2,0,0,0,0|1,0,1]=4 17431 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,2,0,0,0,0|1,0,1]=4 17432 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,2,0,0,0,0|1,0,1]=4 17433 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,2,0,0,0,0|1,0,1]=4 17434 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,2,0,0,0,0|0,0,1]=3 17435 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,2,0,0,0,0|1,0,1]=4 17436 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,2,0,0,0,0|1,0,1]=4 17437 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,2,0,0,0,0|1,0,1]=4 17438 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,2,0,0,0,0|1,0,1]=4 17439 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,2,0,0,0,0|1,0,1]=4 17440 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,2,0,0,0,0|1,0,1]=4 17441 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,2,0,0,0,0|1,0,1]=4 17442 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,2,0,0,0,0|1,0,1]=4 17443 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,2,0,0,0,0|1,0,1]=4 17444 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,2,0,0,0,0|0,0,1]=3 17445 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,2,0,0,0,0|0,0,1]=3 17446 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,2,0,0,0,0|1,0,1]=4 17447 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,2,0,0,0,0|1,0,1]=4 17448 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,2,0,0,0,0|1,0,1]=4 17449 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,2,0,0,0,0|1,0,1]=4 17450 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,2,0,0,0,0|1,0,0]=3 17451 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,2,0,0,0,0|1,0,0]=3 17452 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [0,2,0,0,0,0|1,0,0]=3 17453 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [0,2,0,0,0,0|1,0,0]=3 17454 B12R0.47 CCCCCCC(C)NCCC#N 2230a_100000210919_100011215226 [0,2,0,0,0,0|1,0,1]=4 17455 B12R0.47 CCCCCCC(C)NCCC#N 270004a_100000720768_100000210826 [0,2,0,0,0,0|1,0,1]=4 17456 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [0,2,0,0,0,0|1,0,0]=3 17457 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [0,2,0,0,0,0|1,0,0]=3 17458 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [0,2,0,0,0,0|1,0,0]=3 17459 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [0,2,0,0,0,0|1,0,0]=3 17460 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [0,2,0,0,0,0|1,0,0]=3 17461 B12R0.47 CCCCCCC(C)NCCCF 2230a_100000210919_100011934791 [0,2,0,0,0,0|1,0,0]=3 17462 B12R0.47 CCCCCCC(C)NCCCF 2230a_100015189416_100011215978 [0,2,0,0,0,0|1,0,0]=3 17463 B12R0.47 CCCCCCC(C)NCCCF 270004a_100015189416_100000210826 [0,2,0,0,0,0|1,0,0]=3 17464 B12R0.47 CCCCCCC(C)NCCCF 34a_100000210919_100011934791 [0,2,0,0,0,0|1,0,0]=3 17465 B12R0.47 CCCCCCC(C)NCCCF 34a_100015189416_100011215978 [0,2,0,0,0,0|1,0,0]=3 17466 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,2,0,0,0,0|0,0,0]=2 17467 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,2,0,0,0,0|0,0,0]=2 17468 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,2,0,0,0,0|0,0,0]=2 17469 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [0,2,0,0,0,0|1,0,0]=3 17470 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [0,2,0,0,0,0|1,0,0]=3 17471 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [0,2,0,0,0,0|1,0,0]=3 17472 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [0,2,0,0,0,0|1,0,0]=3 17473 B12R0.47 CCCCCCC(C)NCCSC 2230a_100000210919_100000751147 [0,2,0,0,0,0|1,1,0]=4 17474 B12R0.47 CCCCCCC(C)NCCSC 2230a_100020590264_100011215978 [0,2,0,0,0,0|1,1,0]=4 17475 B12R0.47 CCCCCCC(C)NCCSC 270004a_100020590264_100000210826 [0,2,0,0,0,0|1,1,0]=4 17476 B12R0.47 CCCCCCC(C)NCCSC 34a_100000210919_100000212216 [0,2,0,0,0,0|1,1,0]=4 17477 B12R0.47 CCCCCCC(C)OCCC#N 7a_100000210265_100000184422 [0,2,0,0,0,0|1,0,1]=4 17478 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,2,0,0,0,0|1,0,0]=3 17479 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,2,0,0,0,0|1,0,0]=3 17480 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,2,0,0,0,0|1,0,0]=3 17481 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,2,0,0,0,0|1,0,0]=3 17482 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,2,0,0,0,0|1,0,0]=3 17483 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,2,0,0,0,0|1,0,0]=3 17484 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,2,0,0,0,0|1,0,0]=3 17485 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,2,0,0,0,0|1,0,0]=3 17486 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,2,0,0,0,0|1,0,0]=3 17487 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,2,0,0,0,0|1,0,0]=3 17488 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,2,0,0,0,0|0,0,0]=2 17489 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,2,0,0,0,0|0,0,0]=2 17490 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,2,0,0,0,0|1,0,0]=3 17491 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,2,0,0,0,0|1,0,0]=3 17492 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,2,0,0,0,0|1,0,0]=3 17493 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [0,2,0,0,0,0|1,0,0]=3 17494 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,2,0,0,0,0|1,1,0]=4 17495 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,2,0,0,0,0|1,1,0]=4 17496 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,2,0,0,0,0|1,1,0]=4 17497 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,2,0,0,0,0|1,1,0]=4 17498 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215226_100011215978 [0,2,0,0,0,0|1,0,1]=4 17499 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215978_100011215226 [0,2,0,0,0,0|1,0,1]=4 17500 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [0,2,0,0,0,0|1,0,0]=3 17501 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [0,2,0,0,0,0|1,0,0]=3 17502 B12R0.47 CCCCCCC(C)SCCCF 62a_100011215978_100011934791 [0,2,0,0,0,0|1,0,0]=3 17503 B12R0.47 CCCCCCC(C)SCCCF 62a_100011934791_100011215978 [0,2,0,0,0,0|1,0,0]=3 17504 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,2,0,0,0,0|0,0,0]=2 17505 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,2,0,0,0,0|0,0,0]=2 17506 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [0,2,0,0,0,0|1,0,0]=3 17507 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [0,2,0,0,0,0|1,0,0]=3 17508 B12R0.47 CCCCCCC(C)SCCSC 62a_100000212216_100011215978 [0,2,0,0,0,0|1,1,0]=4 17509 B12R0.47 CCCCCCC(C)SCCSC 62a_100011215978_100000751147 [0,2,0,0,0,0|1,1,0]=4 17510 B12R0.47 CCCCCCC(C)SCOCC 62a_100000739092_100011215978 [0,2,0,0,0,0|2,0,0]=4 17511 B12R0.47 CCCCCCC(C)SCOCC 62a_100011215978_100000739092 [0,2,0,0,0,0|2,0,0]=4 17512 B12R0.47 CCCCCCN(C)CC#CCO 2230a_106256046315_200000047223 [0,2,0,0,0,0|0,0,2]=4 17513 B12R0.47 CCCCCCN(C)CCCC#N 2230a_106256046315_100000687738 [0,2,0,0,0,0|1,0,1]=4 17514 B12R0.47 CCCCCCN(C)CCCC#N 269982a_106256046315_100000687738 [0,2,0,0,0,0|1,0,1]=4 17515 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,2,0,0,0,0|0,0,2]=4 17516 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,2,0,0,0,0|0,0,2]=4 17517 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,2,0,0,0,0|1,0,0]=3 17518 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,2,0,0,0,0|1,0,0]=3 17519 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,2,0,0,0,0|1,0,0]=3 17520 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,2,0,0,0,0|1,0,0]=3 17521 B12R0.47 CCCCCCN(C)CCCCF 2230a_106256046315_100000729493 [0,2,0,0,0,0|1,0,0]=3 17522 B12R0.47 CCCCCCN(C)CCCCF 269982a_106256046315_100000729493 [0,2,0,0,0,0|1,0,0]=3 17523 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,2,0,0,0,0|0,0,0]=2 17524 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,2,0,0,0,0|0,0,0]=2 17525 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,2,0,0,0,0|0,0,0]=2 17526 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,2,0,0,0,0|0,0,0]=2 17527 B12R0.47 CCCCCCN(C)CCCOC 2230a_100000224831_100000210314 [0,2,0,0,0,0|1,0,0]=3 17528 B12R0.47 CCCCCCN(C)CCCOC 2230a_106256046315_100000740836 [0,2,0,0,0,0|1,0,0]=3 17529 B12R0.47 CCCCCCN(C)CCCOC 269982a_100000224831_100000210757 [0,2,0,0,0,0|1,0,0]=3 17530 B12R0.47 CCCCCCN(C)CCCOC 269982a_106256046315_100000740836 [0,2,0,0,0,0|1,0,0]=3 17531 B12R0.47 CCCCCCN(C)CCOCC 2230a_106256046315_100011215890 [0,2,0,0,0,0|2,0,0]=4 17532 B12R0.47 CCCCCCN(C)CCOCC 269982a_106256046315_100011215890 [0,2,0,0,0,0|2,0,0]=4 17533 B12R0.47 CCCCCCN(C)CCSCC 2230a_106256046315_100000757381 [0,2,0,0,0,0|2,0,0]=4 17534 B12R0.47 CCCCCCN(C)CCSCC 269982a_106256046315_100000757381 [0,2,0,0,0,0|2,0,0]=4 17535 B12R0.47 CCCCCN(C)CCCCC#N 2230a_100000223495_100000211819 [0,2,0,0,0,0|1,0,1]=4 17536 B12R0.47 CCCCCN(C)CCCCC#N 269982a_100000223495_100011219923 [0,2,0,0,0,0|1,0,1]=4 17537 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,2,0,0,0,0|0,0,2]=4 17538 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,2,0,0,0,0|0,0,2]=4 17539 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [0,2,0,0,0,0|1,0,0]=3 17540 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [0,2,0,0,0,0|1,0,0]=3 17541 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,2,0,0,0,0|0,0,0]=2 17542 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,2,0,0,0,0|0,0,0]=2 17543 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,2,0,0,0,0|0,0,0]=2 17544 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,2,0,0,0,0|0,0,0]=2 17545 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,2,0,0,0,0|1,0,0]=3 17546 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,2,0,0,0,0|1,0,0]=3 17547 B12R0.47 CCCCCN(C)CCCOCC 2230a_100000223495_100012232248 [0,2,0,0,0,0|2,0,0]=4 17548 B12R0.47 CCCCCN(C)CCCOCC 269982a_100000223495_100012232248 [0,2,0,0,0,0|2,0,0]=4 17549 B12R0.47 CCCCCN(C)CCOCCC 2230a_100000223495_100011215938 [0,2,0,0,0,0|2,0,0]=4 17550 B12R0.47 CCCCCN(C)CCOCCC 269982a_100000223495_100011215938 [0,2,0,0,0,0|2,0,0]=4 17551 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000223495_100011215305 [0,2,0,0,0,0|1,0,0]=3 17552 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000228057_100000210326 [0,2,0,0,0,0|1,0,0]=3 17553 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000223495_100011215305 [0,2,0,0,0,0|1,0,0]=3 17554 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000228057_100000210215 [0,2,0,0,0,0|1,0,0]=3 17555 B12R0.47 CCCCCN(C)COCCCC 2230a_100000223495_100011995733 [0,2,0,0,0,0|2,0,0]=4 17556 B12R0.47 CCCCCN(C)COCCCC 269982a_100000223495_100011995733 [0,2,0,0,0,0|2,0,0]=4 17557 B12R0.47 CCCCCN(C)COCCOC 2230a_100000223495_100000231047 [0,2,0,0,0,0|2,0,0]=4 17558 B12R0.47 CCCCCN(C)COCCOC 269982a_100000223495_100000231047 [0,2,0,0,0,0|2,0,0]=4 17559 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,2,0,0,0,0|1,0,1]=4 17560 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,2,0,0,0,0|1,0,1]=4 17561 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,2,0,0,0,0|1,0,1]=4 17562 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,2,0,0,0,0|1,0,1]=4 17563 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,2,0,0,0,0|0,0,1]=3 17564 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,2,0,0,0,0|1,0,1]=4 17565 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,2,0,0,0,0|1,0,1]=4 17566 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,2,0,0,0,0|1,0,1]=4 17567 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,2,0,0,0,0|1,0,1]=4 17568 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,2,0,0,0,0|1,0,1]=4 17569 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,2,0,0,0,0|1,0,1]=4 17570 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,2,0,0,0,0|1,0,1]=4 17571 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,2,0,0,0,0|1,0,1]=4 17572 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,2,0,0,0,0|1,0,1]=4 17573 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,2,0,0,0,0|1,0,1]=4 17574 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,2,0,0,0,0|1,0,1]=4 17575 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,2,0,0,0,0|1,0,1]=4 17576 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,2,0,0,0,0|1,0,1]=4 17577 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,2,0,0,0,0|1,0,1]=4 17578 B12R0.47 CCCCCNC(C)CCCC#N 270004a_100000209983_200000032708 [0,2,0,0,0,0|1,0,1]=4 17579 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,2,0,0,0,0|1,0,0]=3 17580 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,2,0,0,0,0|1,0,0]=3 17581 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,2,0,0,0,0|1,0,0]=3 17582 B12R0.47 CCCCCNC(C)CCCSC 270004a_100000209983_100011399439 [0,2,0,0,0,0|1,1,0]=4 17583 B12R0.47 CCCCCNC(C)CCOCC 270004a_100000209983_200011216536 [0,2,0,0,0,0|2,0,0]=4 17584 B12R0.47 CCCCCNC(C)CSCCC 270004a_100000209983_100011343953 [0,2,0,0,0,0|2,0,0]=4 17585 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,2,0,0,0,0|1,0,0]=3 17586 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,2,0,0,0,0|1,0,0]=3 17587 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,2,0,0,0,0|1,0,0]=3 17588 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,2,0,0,0,0|1,0,0]=3 17589 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,2,0,0,0,0|1,0,0]=3 17590 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,2,0,0,0,0|1,0,0]=3 17591 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,2,0,0,0,0|1,0,0]=3 17592 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,2,0,0,0,0|1,0,0]=3 17593 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,2,0,0,0,0|0,0,1]=3 17594 B12R0.47 CCCCNC(=O)CCOCCO 1626a_100000102301_100011229844 [0,2,0,0,0,0|1,0,1]=4 17595 B12R0.47 CCCCNC(=O)CCOCCO 240690a_100000102301_100011229844 [0,2,0,0,0,0|1,0,1]=4 17596 B12R0.47 CCCCNC(=O)CSCCCO 62a_100000182744_100011215043 [0,2,0,0,0,0|1,0,1]=4 17597 B12R0.47 CCCCNC(=O)CSCCCO 62a_100011215043_100000182744 [0,2,0,0,0,0|1,0,1]=4 17598 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [0,2,0,0,0,0|1,0,1]=4 17599 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [0,2,0,0,0,0|1,0,1]=4 17600 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [0,2,0,0,0,0|1,0,1]=4 17601 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [0,2,0,0,0,0|1,0,1]=4 17602 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [0,2,0,0,0,0|1,0,1]=4 17603 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [0,2,0,0,0,0|1,0,1]=4 17604 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [0,2,0,0,0,0|1,0,1]=4 17605 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [0,2,0,0,0,0|1,0,1]=4 17606 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,2,0,0,0,0|1,0,1]=4 17607 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,2,0,0,0,0|0,0,1]=3 17608 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,2,0,0,0,0|0,0,1]=3 17609 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,2,0,0,0,0|1,0,1]=4 17610 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,2,0,0,0,0|1,0,1]=4 17611 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,2,0,0,0,0|1,0,1]=4 17612 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,2,0,0,0,0|1,0,1]=4 17613 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,2,0,0,0,0|1,0,1]=4 17614 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [0,2,0,0,0,0|2,0,0]=4 17615 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [0,2,0,0,0,0|2,0,0]=4 17616 B12R0.47 CCCCOCC(C)OCCCF 34a_100011217071_100011934791 [0,2,0,0,0,0|2,0,0]=4 17617 B12R0.47 CCCCOCC(C)OCCCF 7a_100011217071_100011934791 [0,2,0,0,0,0|2,0,0]=4 17618 B12R0.47 CCCCOCC(C)OCCCO 34a_100011217071_100000230001 [0,2,0,0,0,0|1,0,0]=3 17619 B12R0.47 CCCCOCC(C)OCCCO 7a_100011217071_100011215043 [0,2,0,0,0,0|1,0,0]=3 17620 B12R0.47 CCCCOCC(C)OCCOC 34a_100011217071_100011201679 [0,2,0,0,0,0|2,0,0]=4 17621 B12R0.47 CCCCOCC(C)OCCOC 7a_100011217071_100000233755 [0,2,0,0,0,0|2,0,0]=4 17622 B12R0.47 CCCCOCN(C)CCCCO 2230a_100000717598_100011995733 [0,2,0,0,0,0|1,0,0]=3 17623 B12R0.47 CCCCOCN(C)CCCCO 269982a_100000717598_100011995733 [0,2,0,0,0,0|1,0,0]=3 17624 B12R0.47 CCCCOCN(C)CCCOC 2230a_100000224831_100011995733 [0,2,0,0,0,0|2,0,0]=4 17625 B12R0.47 CCCCOCN(C)CCCOC 269982a_100000224831_100011995733 [0,2,0,0,0,0|2,0,0]=4 17626 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [0,2,0,0,0,0|1,0,0]=3 17627 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,2,0,0,0,0|1,0,1]=4 17628 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,2,0,0,0,0|0,0,1]=3 17629 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,2,0,0,0,0|1,0,1]=4 17630 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [0,2,0,0,0,0|1,0,1]=4 17631 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [0,2,0,0,0,0|1,0,1]=4 17632 B12R0.47 CCCNNC(=O)CCCCCO 22a_100000740057_100102619762 [0,2,0,0,0,0|1,0,1]=4 17633 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,2,0,0,0,0|1,0,1]=4 17634 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,2,0,0,0,0|0,0,1]=3 17635 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,2,0,0,0,0|1,0,1]=4 17636 B12R0.47 CCCOCC(=O)CCOCCO 1458a_100000745993_100011215305 [0,2,0,0,0,0|1,0,1]=4 17637 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,2,0,0,0,0|1,0,1]=4 17638 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,2,0,0,0,0|1,0,1]=4 17639 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,2,0,0,0,0|0,0,1]=3 17640 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,2,0,0,0,0|1,0,1]=4 17641 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,2,0,0,0,0|1,0,1]=4 17642 B12R0.47 CCCOCCN(C)CCCCO 2230a_100000717598_100011215938 [0,2,0,0,0,0|1,0,0]=3 17643 B12R0.47 CCCOCCN(C)CCCCO 269982a_100000717598_100011215938 [0,2,0,0,0,0|1,0,0]=3 17644 B12R0.47 CCCOCCN(C)CCCOC 2230a_100000224831_100011215938 [0,2,0,0,0,0|2,0,0]=4 17645 B12R0.47 CCCOCCN(C)CCCOC 269982a_100000224831_100011215938 [0,2,0,0,0,0|2,0,0]=4 17646 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,2,0,0,0,0|1,0,1]=4 17647 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,2,0,0,0,0|0,0,1]=3 17648 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,2,0,0,0,0|1,0,1]=4 17649 B12R0.47 CCCSCC(=O)CCOCCO 1458a_100000217233_100011215305 [0,2,0,0,0,0|1,0,1]=4 17650 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [0,2,0,0,0,0|1,0,1]=4 17651 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [0,2,0,0,0,0|1,0,1]=4 17652 B12R0.47 CCCSCC(C)NCCCCO 270004a_100000750430_100011343953 [0,2,0,0,0,0|1,0,0]=3 17653 B12R0.47 CCCSCC(C)NCCCOC 270004a_100150723488_100011343953 [0,2,0,0,0,0|2,0,0]=4 17654 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,2,0,0,0,0|1,0,1]=4 17655 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,2,0,0,0,0|0,0,1]=3 17656 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,2,0,0,0,0|0,0,1]=3 17657 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,2,0,0,0,0|1,0,1]=4 17658 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100000749530_100011215305 [0,2,0,0,0,0|1,0,1]=4 17659 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100011229844_100011215890 [0,2,0,0,0,0|1,0,1]=4 17660 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,2,0,0,0,0|1,0,1]=4 17661 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,2,0,0,0,0|1,0,1]=4 17662 B12R0.47 CCOCCC(C)NCCCCO 270004a_100000750430_200011216536 [0,2,0,0,0,0|1,0,0]=3 17663 B12R0.47 CCOCCC(C)NCCCOC 270004a_100150723488_200011216536 [0,2,0,0,0,0|2,0,0]=4 17664 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,2,0,0,0,0|0,0,1]=3 17665 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,2,0,0,0,0|1,0,1]=4 17666 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,2,0,0,0,0|1,0,1]=4 17667 B12R0.47 CCOCCCN(C)CCCCO 2230a_100000717598_100012232248 [0,2,0,0,0,0|1,0,0]=3 17668 B12R0.47 CCOCCCN(C)CCCCO 269982a_100000717598_100012232248 [0,2,0,0,0,0|1,0,0]=3 17669 B12R0.47 CCOCCCN(C)CCCOC 2230a_100000224831_100012232248 [0,2,0,0,0,0|2,0,0]=4 17670 B12R0.47 CCOCCCN(C)CCCOC 269982a_100000224831_100012232248 [0,2,0,0,0,0|2,0,0]=4 17671 B12R0.47 CCOCCN(C)CCCCCO 2230a_100000722520_100011215890 [0,2,0,0,0,0|1,0,0]=3 17672 B12R0.47 CCOCCN(C)CCCCCO 269982a_100000722520_100011215890 [0,2,0,0,0,0|1,0,0]=3 17673 B12R0.47 CCOCCN(C)CCOCCO 2230a_100000228057_100011215890 [0,2,0,0,0,0|2,0,0]=4 17674 B12R0.47 CCOCCN(C)CCOCCO 269982a_100000228057_100011215890 [0,2,0,0,0,0|2,0,0]=4 17675 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [0,2,0,0,0,0|1,0,1]=4 17676 B12R0.47 CCOCCOC(C)CCCOC 34a_200011539412_100000210147 [0,2,0,0,0,0|2,0,0]=4 17677 B12R0.47 CCOCCOC(C)CCCOC 7a_200011539412_100011215890 [0,2,0,0,0,0|2,0,0]=4 17678 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,2,0,0,0,0|1,0,1]=4 17679 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,2,0,0,0,0|0,0,1]=3 17680 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,2,0,0,0,0|0,0,1]=3 17681 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,2,0,0,0,0|1,0,1]=4 17682 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100000230768_100011215305 [0,2,0,0,0,0|1,0,1]=4 17683 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100011229844_100000757381 [0,2,0,0,0,0|1,0,1]=4 17684 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [0,2,0,0,0,0|1,0,1]=4 17685 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [0,2,0,0,0,0|1,0,1]=4 17686 B12R0.47 CCSCCN(C)CCCCCO 2230a_100000722520_100000757381 [0,2,0,0,0,0|1,0,0]=3 17687 B12R0.47 CCSCCN(C)CCCCCO 269982a_100000722520_100000757381 [0,2,0,0,0,0|1,0,0]=3 17688 B12R0.47 CCSCCN(C)CCOCCO 2230a_100000228057_100000757381 [0,2,0,0,0,0|2,0,0]=4 17689 B12R0.47 CCSCCN(C)CCOCCO 269982a_100000228057_100000757381 [0,2,0,0,0,0|2,0,0]=4 17690 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [0,2,0,0,0,0|1,0,1]=4 17691 B12R0.47 CCSCCOC(C)CCCOC 34a_200011539412_100000757381 [0,2,0,0,0,0|2,0,0]=4 17692 B12R0.47 CCSCCOC(C)CCCOC 7a_200011539412_100000757381 [0,2,0,0,0,0|2,0,0]=4 17693 B12R0.47 CN(CCCC#N)CCCCCO 2230a_100000722520_100000687738 [0,2,0,0,0,0|1,0,1]=4 17694 B12R0.47 CN(CCCC#N)CCCCCO 269982a_100000722520_100000687738 [0,2,0,0,0,0|1,0,1]=4 17695 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,2,0,0,0,0|1,0,1]=4 17696 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,2,0,0,0,0|1,0,1]=4 17697 B12R0.47 CN(CCCCF)CCCCCO 2230a_100000722520_100000729493 [0,2,0,0,0,0|1,0,0]=3 17698 B12R0.47 CN(CCCCF)CCCCCO 269982a_100000722520_100000729493 [0,2,0,0,0,0|1,0,0]=3 17699 B12R0.47 CN(CCCCF)CCOCCO 2230a_100000228057_100000729493 [0,2,0,0,0,0|2,0,0]=4 17700 B12R0.47 CN(CCCCF)CCOCCO 269982a_100000228057_100000729493 [0,2,0,0,0,0|2,0,0]=4 17701 B12R0.47 CN(CCCCO)CCCCC#N 2230a_100000717598_100000211819 [0,2,0,0,0,0|1,0,1]=4 17702 B12R0.47 CN(CCCCO)CCCCC#N 269982a_100000717598_100011219923 [0,2,0,0,0,0|1,0,1]=4 17703 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [0,2,0,0,0,0|1,0,1]=4 17704 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [0,2,0,0,0,0|1,0,1]=4 17705 B12R0.47 CN(CCCCO)CCCCCF 2230a_100000717598_100000729378 [0,2,0,0,0,0|1,0,0]=3 17706 B12R0.47 CN(CCCCO)CCCCCF 269982a_100000717598_100000729378 [0,2,0,0,0,0|1,0,0]=3 17707 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000717598_100000746330 [0,2,0,0,0,0|1,0,0]=3 17708 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000722520_100000210776 [0,2,0,0,0,0|1,0,0]=3 17709 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000717598_100000746330 [0,2,0,0,0,0|1,0,0]=3 17710 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000722520_100000210776 [0,2,0,0,0,0|1,0,0]=3 17711 B12R0.47 CN(CCCCO)CCOCCO 2230a_100000228057_100000210776 [0,2,0,0,0,0|2,0,0]=4 17712 B12R0.47 CN(CCCCO)CCOCCO 2230a_100000717598_100011215305 [0,2,0,0,0,0|2,0,0]=4 17713 B12R0.47 CN(CCCCO)CCOCCO 269982a_100000228057_100000210776 [0,2,0,0,0,0|2,0,0]=4 17714 B12R0.47 CN(CCCCO)CCOCCO 269982a_100000717598_100011215305 [0,2,0,0,0,0|2,0,0]=4 17715 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,2,0,0,0,0|1,0,1]=4 17716 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,2,0,0,0,0|0,0,1]=3 17717 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,2,0,0,0,0|0,0,1]=3 17718 B12R0.47 COCCCC(=O)CCOCCO 1458a_100000741012_100011215305 [0,2,0,0,0,0|1,0,1]=4 17719 B12R0.47 COCCCC(=O)CCOCCO 1458a_100011229844_100000740836 [0,2,0,0,0,0|1,0,1]=4 17720 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [0,2,0,0,0,0|1,0,1]=4 17721 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [0,2,0,0,0,0|1,0,1]=4 17722 B12R0.47 COCCCC(C)OCCCCF 34a_200011539412_100000729493 [0,2,0,0,0,0|2,0,0]=4 17723 B12R0.47 COCCCC(C)OCCCCF 7a_200011539412_100000729493 [0,2,0,0,0,0|2,0,0]=4 17724 B12R0.47 COCCCC(C)OCCCCO 34a_200011539412_100011216708 [0,2,0,0,0,0|1,0,0]=3 17725 B12R0.47 COCCCC(C)OCCCCO 7a_200011539412_100000210776 [0,2,0,0,0,0|1,0,0]=3 17726 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,2,0,0,0,0|0,0,1]=3 17727 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,2,0,0,0,0|1,0,1]=4 17728 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,2,0,0,0,0|1,0,1]=4 17729 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,2,0,0,0,0|1,0,1]=4 17730 B12R0.47 COCCCCN(C)CCCCO 2230a_100000717598_100000730899 [0,2,0,0,0,0|1,0,0]=3 17731 B12R0.47 COCCCCN(C)CCCCO 269982a_100000717598_100000730899 [0,2,0,0,0,0|1,0,0]=3 17732 B12R0.47 COCCCCN(C)CCCOC 2230a_100000224831_100000730899 [0,2,0,0,0,0|2,0,0]=4 17733 B12R0.47 COCCCCN(C)CCCOC 269982a_100000224831_100000730899 [0,2,0,0,0,0|2,0,0]=4 17734 B12R0.47 COCCCN(C)CCCCCF 2230a_100000224831_100000729378 [0,2,0,0,0,0|2,0,0]=4 17735 B12R0.47 COCCCN(C)CCCCCF 269982a_100000224831_100000729378 [0,2,0,0,0,0|2,0,0]=4 17736 B12R0.47 COCCCN(C)CCCCCO 2230a_100000224831_100000746330 [0,2,0,0,0,0|1,0,0]=3 17737 B12R0.47 COCCCN(C)CCCCCO 2230a_100000722520_100000740836 [0,2,0,0,0,0|1,0,0]=3 17738 B12R0.47 COCCCN(C)CCCCCO 269982a_100000224831_100000746330 [0,2,0,0,0,0|1,0,0]=3 17739 B12R0.47 COCCCN(C)CCCCCO 269982a_100000722520_100000740836 [0,2,0,0,0,0|1,0,0]=3 17740 B12R0.47 COCCCN(C)CCOCCO 2230a_100000224831_100011215305 [0,2,0,0,0,0|2,0,0]=4 17741 B12R0.47 COCCCN(C)CCOCCO 2230a_100000228057_100000740836 [0,2,0,0,0,0|2,0,0]=4 17742 B12R0.47 COCCCN(C)CCOCCO 269982a_100000224831_100011215305 [0,2,0,0,0,0|2,0,0]=4 17743 B12R0.47 COCCCN(C)CCOCCO 269982a_100000228057_100000740836 [0,2,0,0,0,0|2,0,0]=4 17744 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [0,2,0,0,0,0|1,0,1]=4 17745 B12R0.47 COCCCNC(C)CCCSC 270004a_100150723488_100011399439 [0,2,0,0,0,0|2,0,0]=4 17746 B12R0.47 COCCCOC(C)CCCOC 34a_200011539412_100000740836 [0,2,0,0,0,0|2,0,0]=4 17747 B12R0.47 COCCCOC(C)CCCOC 7a_200011539412_100000740836 [0,2,0,0,0,0|2,0,0]=4 17748 B12R0.47 COCCNC(=O)CCCCCO 240690a_100000209980_100102619762 [0,2,0,0,0,0|1,0,1]=4 17749 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [0,2,0,0,0,0|1,0,1]=4 17750 B12R0.47 COCCOCN(C)CCCCO 2230a_100000717598_100000231047 [0,2,0,0,0,0|2,0,0]=4 17751 B12R0.47 COCCOCN(C)CCCCO 269982a_100000717598_100000231047 [0,2,0,0,0,0|2,0,0]=4 17752 B12R0.47 COCCOC[C@@H](N)CCCCN 34a_100016993712_100011201679 [0,2,0,0,0,0|2,0,0]=4 17753 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,2,0,0,0,0|1,0,1]=4 17754 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,2,0,0,0,0|0,0,1]=3 17755 B12R0.47 CSCCCC(=O)CCOCCO 1458a_100000173376_100011215305 [0,2,0,0,0,0|1,0,1]=4 17756 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [0,2,0,0,0,0|1,0,1]=4 17757 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [0,2,0,0,0,0|1,0,1]=4 17758 B12R0.47 CSCCCC(C)NCCCCO 270004a_100000750430_100011399439 [0,2,0,0,0,0|1,0,0]=3 17759 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [0,2,0,0,0,0|1,0,1]=4 17760 B12R0.47 CSCCNC(=O)CCCCCO 240690a_100020590264_100102619762 [0,2,0,0,0,0|1,0,1]=4 17761 B12R0.47 CSCCOC[C@@H](N)CCCCN 34a_100016993712_100000212216 [0,2,0,0,0,0|2,0,0]=4 17762 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,2,0,0,0,0|0,0,2]=4 17763 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,2,0,0,0,0|0,0,2]=4 17764 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [0,2,0,0,0,0|0,0,2]=4 17765 B12R0.47 NCCCC[C@H](N)COCCCF 34a_100016993712_100011934791 [0,2,0,0,0,0|2,0,0]=4 17766 B12R0.47 NCCCC[C@H](N)COCCCO 34a_100016993712_100000230001 [0,2,0,0,0,0|1,0,0]=3 17767 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,2,0,0,0,0|1,0,1]=4 17768 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,2,0,0,0,0|1,0,1]=4 17769 B12R0.47 O=C(CCCCCO)NCCCF 240690a_100015189416_100102619762 [0,2,0,0,0,0|1,0,1]=4 17770 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [0,2,0,0,0,0|1,0,1]=4 17771 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,2,0,0,0,0|0,0,1]=3 17772 B12R0.47 O=C(CCCCF)CCOCCO 1458a_100011229844_100000729493 [0,2,0,0,0,0|1,0,1]=4 17773 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,2,0,0,0,0|0,0,1]=3 17774 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,2,0,0,0,0|0,0,1]=3 17775 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,2,0,0,0,0|0,0,1]=3 17776 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100000695505_100011215305 [0,2,0,0,0,0|1,0,1]=4 17777 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100011229844_100000210776 [0,2,0,0,0,0|1,0,1]=4 17778 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|1,0,1]=4 17779 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|1,0,1]=4 17780 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,2,0,0,0,0|0,0,2]=4 17781 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,2,0,0,0,0|0,0,2]=4 17782 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,2,0,0,0,0|1,0,1]=4 17783 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,2,0,0,0,0|1,0,1]=4 17784 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,2,0,0,0,0|0,0,2]=4 17785 B12R0.206 C#CCCCCCN(C)CCCC 2230a_100000207549_100012094781 [0,2,0,0,0,0|1,0,1]=4 17786 B12R0.206 C#CCCCCCN(C)CCCC 269982a_100000207549_100012094781 [0,2,0,0,0,0|1,0,1]=4 17787 B12R0.206 C#CCCCCCN(C)CCCO 2230a_100000213112_100012094781 [0,2,0,0,0,0|0,0,2]=4 17788 B12R0.206 C#CCCCCCN(C)CCCO 269982a_100000213112_100012094781 [0,2,0,0,0,0|0,0,2]=4 17789 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000126638_100010269958 [0,2,0,0,0,0|1,0,1]=4 17790 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000706060_200011215066 [0,2,0,0,0,0|1,0,1]=4 17791 B12R0.206 C#CCCCCNC(C)CCCC 34a_100000706060_200011215066 [0,2,0,0,0,0|1,0,1]=4 17792 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000687866_100010269958 [0,2,0,0,0,0|1,0,1]=4 17793 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000766709_200011215066 [0,2,0,0,0,0|1,0,1]=4 17794 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000687866_100010269958 [0,2,0,0,0,0|1,0,1]=4 17795 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000766709_200011215066 [0,2,0,0,0,0|1,0,1]=4 17796 B12R0.206 C#CCCCCSC(C)CCCC 62a_100010269958_200011215066 [0,2,0,0,0,0|1,0,1]=4 17797 B12R0.206 C#CCCCCSC(C)CCCC 62a_200011215066_100010269958 [0,2,0,0,0,0|1,0,1]=4 17798 B12R0.206 C#CCCCNC[C@H](C)CCCO 2230a_100160569302_100000731252 [0,2,0,0,0,0|0,0,2]=4 17799 B12R0.206 C#CCCCNC[C@H](C)CCCO 34a_100160569302_100000695029 [0,2,0,0,0,0|0,0,2]=4 17800 B12R0.206 C#CCCCOCC(C)CCCC 34a_100011995851_100000695029 [0,2,0,0,0,0|1,0,1]=4 17801 B12R0.206 C#CCCCOCC(C)CCCC 7a_100011995851_100011215417 [0,2,0,0,0,0|1,0,1]=4 17802 B12R0.206 C#CCCCOC[C@@H](N)CCCC 34a_100011934283_100000695029 [0,2,0,0,0,0|1,0,1]=4 17803 B12R0.206 C#CCCN(C)CCCCCCC 2230a_100000228206_100000688953 [0,2,0,0,0,0|1,0,1]=4 17804 B12R0.206 C#CCCN(C)CCCCCCC 269982a_100000228206_100000730999 [0,2,0,0,0,0|1,0,1]=4 17805 B12R0.206 C#CCNC(C)CCCCCCC 34a_100000212058_200011218727 [0,2,0,0,0,0|1,0,1]=4 17806 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,2,0,0,0,0|1,0,1]=4 17807 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,2,0,0,0,0|1,0,1]=4 17808 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,2,0,0,0,0|1,0,1]=4 17809 B12R0.206 C#CCSC(C)CCCCCCC 62a_100000038162_200011218727 [0,2,0,0,0,0|1,0,1]=4 17810 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,2,0,0,0,0|0,0,2]=4 17811 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|1,0,1]=4 17812 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|1,0,1]=4 17813 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|0,0,2]=4 17814 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|0,0,2]=4 17815 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,2,0,0,0,0|1,0,1]=4 17816 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [0,2,0,0,0,0|0,0,2]=4 17817 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,2,0,0,0,0|1,0,1]=4 17818 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,2,0,0,0,0|1,0,1]=4 17819 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,2,0,0,0,0|0,0,2]=4 17820 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,2,0,0,0,0|0,0,2]=4 17821 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,2,0,0,0,0|1,0,1]=4 17822 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,2,0,0,0,0|1,0,1]=4 17823 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,2,0,0,0,0|0,0,2]=4 17824 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,2,0,0,0,0|1,0,1]=4 17825 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,2,0,0,0,0|1,0,1]=4 17826 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [0,2,0,0,0,0|0,0,2]=4 17827 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [0,2,0,0,0,0|0,0,2]=4 17828 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,2,0,0,0,0|1,0,1]=4 17829 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,2,0,0,0,0|1,0,1]=4 17830 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,2,0,0,0,0|1,0,1]=4 17831 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,2,0,0,0,0|1,0,1]=4 17832 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,2,0,0,0,0|1,0,1]=4 17833 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,2,0,0,0,0|1,0,1]=4 17834 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,2,0,0,0,0|1,0,1]=4 17835 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,2,0,0,0,0|1,0,1]=4 17836 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,2,0,0,0,0|1,0,1]=4 17837 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,2,0,0,0,0|1,0,1]=4 17838 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [0,2,0,0,0,0|0,0,2]=4 17839 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [0,2,0,0,0,0|0,0,2]=4 17840 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,2,0,0,0,0|1,0,1]=4 17841 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,2,0,0,0,0|1,0,1]=4 17842 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,2,0,0,0,0|1,0,1]=4 17843 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,2,0,0,0,0|1,0,1]=4 17844 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,2,0,0,0,0|1,0,1]=4 17845 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,2,0,0,0,0|1,0,1]=4 17846 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,2,0,0,0,0|1,0,1]=4 17847 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,2,0,0,0,0|0,0,2]=4 17848 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,2,0,0,0,0|0,0,2]=4 17849 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,2,0,0,0,0|1,0,1]=4 17850 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,2,0,0,0,0|1,0,1]=4 17851 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,2,0,0,0,0|1,0,1]=4 17852 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 17853 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 17854 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,2,0,0,0,0|1,0,1]=4 17855 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,2,0,0,0,0|1,0,1]=4 17856 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,2,0,0,0,0|0,0,2]=4 17857 B12R0.206 CC(CCCCl)OCCCCCF 34a_200000718107_100000729378 [0,2,0,0,0,0|2,0,0]=4 17858 B12R0.206 CC(CCCCl)OCCCCCF 7a_200000718107_100000729378 [0,2,0,0,0,0|2,0,0]=4 17859 B12R0.206 CC(CCCCl)OCCCCCO 34a_200000718107_100000746330 [0,2,0,0,0,0|1,0,0]=3 17860 B12R0.206 CC(CCCCl)OCCCCCO 7a_200000718107_100000746330 [0,2,0,0,0,0|1,0,0]=3 17861 B12R0.206 CC(CCCCl)OCCOCCO 34a_200000718107_100000692535 [0,2,0,0,0,0|2,0,0]=4 17862 B12R0.206 CC(CCCCl)OCCOCCO 7a_200000718107_100011215305 [0,2,0,0,0,0|2,0,0]=4 17863 B12R0.206 CC/C=C\CNC[C@H](C)CCCO 2230a_100160569302_100103147603 [0,2,0,0,0,0|0,0,2]=4 17864 B12R0.206 CC/C=C\CNC[C@H](C)CCCO 34a_100160569302_100103147603 [0,2,0,0,0,0|0,0,2]=4 17865 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,2,0,0,0,0|0,0,2]=4 17866 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,2,0,0,0,0|0,0,2]=4 17867 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,2,0,0,0,0|0,0,2]=4 17868 B12R0.206 CCC#CC(C)OCCCCCO 34a_100000033903_100000746330 [0,2,0,0,0,0|0,0,2]=4 17869 B12R0.206 CCC#CC(C)OCCCCCO 7a_100000033903_100000746330 [0,2,0,0,0,0|0,0,2]=4 17870 B12R0.206 CCC#CCNC[C@H](C)CCCO 2230a_100160569302_100009813939 [0,2,0,0,0,0|0,0,2]=4 17871 B12R0.206 CCC#CCNC[C@H](C)CCCO 34a_100160569302_100009813939 [0,2,0,0,0,0|0,0,2]=4 17872 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|0,0,2]=4 17873 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,2,0,0,0,0|0,0,2]=4 17874 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,2,0,0,0,0|1,0,1]=4 17875 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|1,0,0]=3 17876 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|0,0,0]=2 17877 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|0,0,0]=2 17878 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|0,0,1]=3 17879 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,2,0,0,0,0|1,0,1]=4 17880 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,2,0,0,0,0|1,0,1]=4 17881 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,2,0,0,0,0|0,0,1]=3 17882 B12R0.206 CCCCC(=O)NCCOCCO 240690a_100000211614_100000210183 [0,2,0,0,0,0|1,0,1]=4 17883 B12R0.206 CCCCC(=O)NCCSCCO 240690a_100011219999_100000210183 [0,2,0,0,0,0|1,0,1]=4 17884 B12R0.206 CCCCC(=O)NCCSCCO 527a_100011219999_100000210183 [0,2,0,0,0,0|1,0,1]=4 17885 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,2,0,0,0,0|1,0,0]=3 17886 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,2,0,0,0,0|1,0,0]=3 17887 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [0,2,0,0,0,0|1,0,0]=3 17888 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [0,2,0,0,0,0|1,0,0]=3 17889 B12R0.206 CCCCC(C)COCC#CCO 34a_100011995851_200000047223 [0,2,0,0,0,0|0,0,2]=4 17890 B12R0.206 CCCCC(C)COCC#CCO 7a_100011995851_200000047223 [0,2,0,0,0,0|0,0,2]=4 17891 B12R0.206 CCCCC(C)COCCCC#N 7a_100011995851_100000687738 [0,2,0,0,0,0|1,0,1]=4 17892 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,2,0,0,0,0|0,0,2]=4 17893 B12R0.206 CCCCC(C)COCCCCF 34a_100011995851_100000729493 [0,2,0,0,0,0|1,0,0]=3 17894 B12R0.206 CCCCC(C)COCCCCF 7a_100011995851_100000729493 [0,2,0,0,0,0|1,0,0]=3 17895 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,2,0,0,0,0|0,0,0]=2 17896 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,2,0,0,0,0|0,0,0]=2 17897 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [0,2,0,0,0,0|1,0,0]=3 17898 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [0,2,0,0,0,0|1,0,0]=3 17899 B12R0.206 CCCCC(C)COCCOCC 34a_100011995851_100000210147 [0,2,0,0,0,0|2,0,0]=4 17900 B12R0.206 CCCCC(C)COCCOCC 7a_100011995851_100011215890 [0,2,0,0,0,0|2,0,0]=4 17901 B12R0.206 CCCCC(C)COCCSCC 34a_100011995851_100000757381 [0,2,0,0,0,0|2,0,0]=4 17902 B12R0.206 CCCCC(C)COCCSCC 7a_100011995851_100000757381 [0,2,0,0,0,0|2,0,0]=4 17903 B12R0.206 CCCCC(C)NCCCCC#N 2230a_100000126638_100000211819 [0,2,0,0,0,0|1,0,1]=4 17904 B12R0.206 CCCCC(C)NCCCCC#N 270004a_100000751965_100000210087 [0,2,0,0,0,0|1,0,1]=4 17905 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,2,0,0,0,0|0,0,2]=4 17906 B12R0.206 CCCCC(C)NCCCCCF 2230a_100000126638_100000729378 [0,2,0,0,0,0|1,0,0]=3 17907 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,2,0,0,0,0|0,0,0]=2 17908 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,2,0,0,0,0|0,0,0]=2 17909 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,2,0,0,0,0|0,0,0]=2 17910 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,2,0,0,0,0|0,0,0]=2 17911 B12R0.206 CCCCC(C)NCCCCOC 2230a_100000126638_100000730899 [0,2,0,0,0,0|1,0,0]=3 17912 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000126638_100012232248 [0,2,0,0,0,0|2,0,0]=4 17913 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000210961_200011215066 [0,2,0,0,0,0|2,0,0]=4 17914 B12R0.206 CCCCC(C)NCCCOCC 270004a_100000210961_100000210087 [0,2,0,0,0,0|2,0,0]=4 17915 B12R0.206 CCCCC(C)NCCCOCC 34a_100000210961_200011215066 [0,2,0,0,0,0|2,0,0]=4 17916 B12R0.206 CCCCC(C)NCCOCCC 2230a_100000126638_100011215938 [0,2,0,0,0,0|2,0,0]=4 17917 B12R0.206 CCCCC(C)NCCOCCC 2230a_100161115042_200011215066 [0,2,0,0,0,0|2,0,0]=4 17918 B12R0.206 CCCCC(C)NCCOCCC 270004a_100161115042_100000210087 [0,2,0,0,0,0|2,0,0]=4 17919 B12R0.206 CCCCC(C)NCCOCCC 34a_100161115042_200011215066 [0,2,0,0,0,0|2,0,0]=4 17920 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000126638_100011215305 [0,2,0,0,0,0|1,0,0]=3 17921 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000211614_200011215066 [0,2,0,0,0,0|1,0,0]=3 17922 B12R0.206 CCCCC(C)NCCOCCO 270004a_100000211614_100000210087 [0,2,0,0,0,0|1,0,0]=3 17923 B12R0.206 CCCCC(C)NCCOCCO 34a_100000211614_200011215066 [0,2,0,0,0,0|1,0,0]=3 17924 B12R0.206 CCCCC(C)NCCSCCC 2230a_100020603323_200011215066 [0,2,0,0,0,0|2,0,0]=4 17925 B12R0.206 CCCCC(C)NCCSCCC 270004a_100020603323_100000210087 [0,2,0,0,0,0|2,0,0]=4 17926 B12R0.206 CCCCC(C)NCCSCCO 2230a_100011219999_200011215066 [0,2,0,0,0,0|1,0,0]=3 17927 B12R0.206 CCCCC(C)NCCSCCO 270004a_100011219999_100000210087 [0,2,0,0,0,0|1,0,0]=3 17928 B12R0.206 CCCCC(C)NCOCCOC 2230a_100000126638_100000231047 [0,2,0,0,0,0|2,0,0]=4 17929 B12R0.206 CCCCC(C)OCCCCC#N 7a_100000687866_100000211819 [0,2,0,0,0,0|1,0,1]=4 17930 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,2,0,0,0,0|0,0,2]=4 17931 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [0,2,0,0,0,0|1,0,0]=3 17932 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [0,2,0,0,0,0|1,0,0]=3 17933 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [0,2,0,0,0,0|1,0,0]=3 17934 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [0,2,0,0,0,0|1,0,0]=3 17935 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [0,2,0,0,0,0|1,0,0]=3 17936 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [0,2,0,0,0,0|1,0,0]=3 17937 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [0,2,0,0,0,0|1,0,0]=3 17938 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [0,2,0,0,0,0|1,0,0]=3 17939 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [0,2,0,0,0,0|1,0,0]=3 17940 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,2,0,0,0,0|0,0,0]=2 17941 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,2,0,0,0,0|0,0,0]=2 17942 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [0,2,0,0,0,0|1,0,0]=3 17943 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [0,2,0,0,0,0|1,0,0]=3 17944 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [0,2,0,0,0,0|1,0,0]=3 17945 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [0,2,0,0,0,0|1,1,0]=4 17946 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [0,2,0,0,0,0|1,1,0]=4 17947 B12R0.206 CCCCC(C)OCCCOCC 34a_100000687866_100012232248 [0,2,0,0,0,0|2,0,0]=4 17948 B12R0.206 CCCCC(C)OCCCOCC 34a_100000757476_200011215066 [0,2,0,0,0,0|2,0,0]=4 17949 B12R0.206 CCCCC(C)OCCCOCC 7a_100000687866_100012232248 [0,2,0,0,0,0|2,0,0]=4 17950 B12R0.206 CCCCC(C)OCCCOCC 7a_100000757476_200011215066 [0,2,0,0,0,0|2,0,0]=4 17951 B12R0.206 CCCCC(C)OCCCSCC 34a_100011216438_200011215066 [0,2,0,0,0,0|2,0,0]=4 17952 B12R0.206 CCCCC(C)OCCCSCC 7a_100011216438_200011215066 [0,2,0,0,0,0|2,0,0]=4 17953 B12R0.206 CCCCC(C)OCCOCCBr 34a_100000692535_200011215066 [0,2,0,0,0,0|2,0,0]=4 17954 B12R0.206 CCCCC(C)OCCOCCBr 7a_100000692535_200011215066 [0,2,0,0,0,0|2,0,0]=4 17955 B12R0.206 CCCCC(C)OCCOCCC 34a_100000687866_100011215938 [0,2,0,0,0,0|2,0,0]=4 17956 B12R0.206 CCCCC(C)OCCOCCC 34a_100000752267_200011215066 [0,2,0,0,0,0|2,0,0]=4 17957 B12R0.206 CCCCC(C)OCCOCCC 7a_100000687866_100011215938 [0,2,0,0,0,0|2,0,0]=4 17958 B12R0.206 CCCCC(C)OCCOCCC 7a_100000752267_200011215066 [0,2,0,0,0,0|2,0,0]=4 17959 B12R0.206 CCCCC(C)OCCOCCCl 34a_100011215305_200011215066 [0,2,0,0,0,0|2,0,0]=4 17960 B12R0.206 CCCCC(C)OCCOCCCl 7a_100011215305_200011215066 [0,2,0,0,0,0|2,0,0]=4 17961 B12R0.206 CCCCC(C)OCCOCCF 34a_200015357709_200011215066 [0,2,0,0,0,0|2,0,0]=4 17962 B12R0.206 CCCCC(C)OCCOCCF 7a_200015357709_200011215066 [0,2,0,0,0,0|2,0,0]=4 17963 B12R0.206 CCCCC(C)OCCOCCI 34a_100012149058_200011215066 [0,2,0,0,0,0|2,0,0]=4 17964 B12R0.206 CCCCC(C)OCCOCCI 7a_100012149058_200011215066 [0,2,0,0,0,0|2,0,0]=4 17965 B12R0.206 CCCCC(C)OCCOCCN 34a_100000211614_200011215066 [0,2,0,0,0,0|2,0,0]=4 17966 B12R0.206 CCCCC(C)OCCOCCO 34a_100000687866_100000692535 [0,2,0,0,0,0|1,0,0]=3 17967 B12R0.206 CCCCC(C)OCCOCCO 7a_100000687866_100011215305 [0,2,0,0,0,0|1,0,0]=3 17968 B12R0.206 CCCCC(C)OCCSCCC 34a_200000230433_200011215066 [0,2,0,0,0,0|2,0,0]=4 17969 B12R0.206 CCCCC(C)OCCSCCC 7a_200000230433_200011215066 [0,2,0,0,0,0|2,0,0]=4 17970 B12R0.206 CCCCC(C)SCCCCC#N 62a_100011219923_200011215066 [0,2,0,0,0,0|1,0,1]=4 17971 B12R0.206 CCCCC(C)SCCCCC#N 62a_200011215066_100000211819 [0,2,0,0,0,0|1,0,1]=4 17972 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,2,0,0,0,0|0,0,2]=4 17973 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,2,0,0,0,0|0,0,2]=4 17974 B12R0.206 CCCCC(C)SCCCCCF 62a_100000729378_200011215066 [0,2,0,0,0,0|1,0,0]=3 17975 B12R0.206 CCCCC(C)SCCCCCF 62a_200011215066_100000729378 [0,2,0,0,0,0|1,0,0]=3 17976 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,2,0,0,0,0|0,0,0]=2 17977 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,2,0,0,0,0|0,0,0]=2 17978 B12R0.206 CCCCC(C)SCCCCOC 62a_100000730899_200011215066 [0,2,0,0,0,0|1,0,0]=3 17979 B12R0.206 CCCCC(C)SCCCCOC 62a_200011215066_100000730899 [0,2,0,0,0,0|1,0,0]=3 17980 B12R0.206 CCCCC(C)SCCCOCC 62a_100012232248_200011215066 [0,2,0,0,0,0|2,0,0]=4 17981 B12R0.206 CCCCC(C)SCCCOCC 62a_200011215066_100012232248 [0,2,0,0,0,0|2,0,0]=4 17982 B12R0.206 CCCCC(C)SCCOCCC 62a_100011215938_200011215066 [0,2,0,0,0,0|2,0,0]=4 17983 B12R0.206 CCCCC(C)SCCOCCC 62a_200011215066_100011215938 [0,2,0,0,0,0|2,0,0]=4 17984 B12R0.206 CCCCC(C)SCCOCCO 62a_100011215305_200011215066 [0,2,0,0,0,0|1,0,0]=3 17985 B12R0.206 CCCCC(C)SCCOCCO 62a_200011215066_100011215305 [0,2,0,0,0,0|1,0,0]=3 17986 B12R0.206 CCCCC(C)SCOCCOC 62a_100000231047_200011215066 [0,2,0,0,0,0|2,0,0]=4 17987 B12R0.206 CCCCC(C)SCOCCOC 62a_200011215066_100000231047 [0,2,0,0,0,0|2,0,0]=4 17988 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,2,0,0,0,0|0,0,2]=4 17989 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|0,0,2]=4 17990 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,2,0,0,0,0|0,0,2]=4 17991 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|1,0,1]=4 17992 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|1,0,1]=4 17993 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|1,0,0]=3 17994 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|1,0,0]=3 17995 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|1,0,0]=3 17996 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|0,0,0]=2 17997 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|0,0,1]=3 17998 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|0,0,1]=3 17999 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|0,1,1]=4 18000 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|0,1,1]=4 18001 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|1,0,1]=4 18002 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|1,0,1]=4 18003 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|1,0,1]=4 18004 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|1,0,1]=4 18005 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|1,0,1]=4 18006 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|1,0,1]=4 18007 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|1,0,1]=4 18008 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|1,0,1]=4 18009 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|1,0,1]=4 18010 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|1,0,1]=4 18011 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|0,0,1]=3 18012 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|0,0,1]=3 18013 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|1,0,1]=4 18014 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,2,0,0,0,0|1,0,0]=3 18015 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,2,0,0,0,0|1,0,0]=3 18016 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,2,0,0,0,0|0,0,0]=2 18017 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,2,0,0,0,0|0,0,0]=2 18018 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,2,0,0,0,0|0,0,0]=2 18019 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,2,0,0,0,0|1,0,1]=4 18020 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,2,0,0,0,0|0,0,2]=4 18021 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,2,0,0,0,0|0,0,2]=4 18022 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,2,0,0,0,0|1,0,0]=3 18023 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,0]=3 18024 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,0]=3 18025 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,0]=3 18026 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,2,0,0,0,0|1,0,0]=3 18027 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,2,0,0,0,0|1,0,0]=3 18028 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,2,0,0,0,0|1,0,0]=3 18029 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,2,0,0,0,0|0,0,0]=2 18030 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,2,0,0,0,0|0,0,0]=2 18031 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,2,0,0,0,0|1,1,0]=4 18032 B12R0.206 CCCCCCCC(C)SCC#N 62a_100011215382_200011218727 [0,2,0,0,0,0|1,0,1]=4 18033 B12R0.206 CCCCCCCC(C)SCC#N 62a_200011218727_100011215382 [0,2,0,0,0,0|1,0,1]=4 18034 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,2,0,0,0,0|0,0,2]=4 18035 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,2,0,0,0,0|0,0,2]=4 18036 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,2,0,0,0,0|1,0,0]=3 18037 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,2,0,0,0,0|1,0,0]=3 18038 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,2,0,0,0,0|1,0,0]=3 18039 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,2,0,0,0,0|1,0,0]=3 18040 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,2,0,0,0,0|0,0,0]=2 18041 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,2,0,0,0,0|0,0,0]=2 18042 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,2,0,0,0,0|1,0,0]=3 18043 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,2,0,0,0,0|1,0,0]=3 18044 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,2,0,0,0,0|1,1,0]=4 18045 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,2,0,0,0,0|1,1,0]=4 18046 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000184479_100000210681 [0,2,0,0,0,0|1,0,1]=4 18047 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000228206_100011215226 [0,2,0,0,0,0|1,0,1]=4 18048 B12R0.206 CCCCCCCN(C)CCC#N 269982a_100000228206_100011215226 [0,2,0,0,0,0|1,0,1]=4 18049 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,2,0,0,0,0|1,0,0]=3 18050 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,2,0,0,0,0|1,0,0]=3 18051 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,2,0,0,0,0|1,0,0]=3 18052 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,2,0,0,0,0|1,0,0]=3 18053 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,2,0,0,0,0|1,0,0]=3 18054 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,2,0,0,0,0|1,0,0]=3 18055 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,2,0,0,0,0|0,0,0]=2 18056 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,2,0,0,0,0|0,0,0]=2 18057 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,2,0,0,0,0|0,0,0]=2 18058 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,2,0,0,0,0|0,0,0]=2 18059 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,2,0,0,0,0|1,0,0]=3 18060 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,2,0,0,0,0|1,0,0]=3 18061 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,2,0,0,0,0|1,0,0]=3 18062 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,2,0,0,0,0|1,0,0]=3 18063 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,2,0,0,0,0|1,1,0]=4 18064 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,2,0,0,0,0|1,1,0]=4 18065 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,2,0,0,0,0|1,1,0]=4 18066 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,2,0,0,0,0|1,1,0]=4 18067 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,2,0,0,0,0|2,0,0]=4 18068 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,2,0,0,0,0|1,0,1]=4 18069 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,2,0,0,0,0|1,0,1]=4 18070 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,2,0,0,0,0|1,0,1]=4 18071 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,2,0,0,0,0|1,0,1]=4 18072 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 18073 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 18074 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 18075 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 18076 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|1,0,1]=4 18077 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|1,0,1]=4 18078 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|1,0,1]=4 18079 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|1,0,1]=4 18080 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [0,2,0,0,0,0|1,0,0]=3 18081 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [0,2,0,0,0,0|1,0,0]=3 18082 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [0,2,0,0,0,0|1,0,0]=3 18083 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [0,2,0,0,0,0|1,0,0]=3 18084 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [0,2,0,0,0,0|1,1,0]=4 18085 B12R0.206 CCCCCCNC(C)CSCC 270004a_100000210581_200011216171 [0,2,0,0,0,0|2,0,0]=4 18086 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,2,0,0,0,0|1,0,0]=3 18087 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,2,0,0,0,0|1,0,0]=3 18088 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,2,0,0,0,0|1,0,0]=3 18089 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,2,0,0,0,0|1,0,0]=3 18090 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,2,0,0,0,0|1,0,0]=3 18091 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,2,0,0,0,0|1,0,0]=3 18092 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,2,0,0,0,0|2,0,0]=4 18093 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,2,0,0,0,0|2,0,0]=4 18094 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [0,2,0,0,0,0|1,0,0]=3 18095 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [0,2,0,0,0,0|1,0,0]=3 18096 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,2,0,0,0,0|2,0,0]=4 18097 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,2,0,0,0,0|2,0,0]=4 18098 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [0,2,0,0,0,0|2,0,0]=4 18099 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [0,2,0,0,0,0|2,0,0]=4 18100 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,2,0,0,0,0|0,0,0]=2 18101 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,2,0,0,0,0|0,0,0]=2 18102 B12R0.206 CCCCCNN=C(C)CCCO 4a_100000694160_100000759063 [0,2,0,0,0,0|1,0,1]=4 18103 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,2,0,0,0,0|1,0,0]=3 18104 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,2,0,0,0,0|1,0,0]=3 18105 B12R0.206 CCCCCOC[C@@H](C)OCOC 34a_100016172286_100000718602 [0,2,0,0,0,0|2,0,0]=4 18106 B12R0.206 CCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210326 [0,2,0,0,0,0|2,0,0]=4 18107 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,2,0,0,0,0|1,0,0]=3 18108 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,2,0,0,0,0|1,1,0]=4 18109 B12R0.206 CCCCN(C)CCCCCC#N 2230a_100000207549_100009813376 [0,2,0,0,0,0|1,0,1]=4 18110 B12R0.206 CCCCN(C)CCCCCC#N 269982a_100000207549_100009813376 [0,2,0,0,0,0|1,0,1]=4 18111 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,2,0,0,0,0|0,0,2]=4 18112 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,2,0,0,0,0|0,0,2]=4 18113 B12R0.206 CCCCN(C)CCCCCCF 2230a_100000207549_100015922095 [0,2,0,0,0,0|1,0,0]=3 18114 B12R0.206 CCCCN(C)CCCCCCF 269982a_100000207549_100015922095 [0,2,0,0,0,0|1,0,0]=3 18115 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,2,0,0,0,0|0,0,0]=2 18116 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,2,0,0,0,0|0,0,0]=2 18117 B12R0.206 CCCCN(C)CCOCCOC 2230a_100000207549_100000695917 [0,2,0,0,0,0|2,0,0]=4 18118 B12R0.206 CCCCN(C)CCOCCOC 269982a_100000207549_100000695917 [0,2,0,0,0,0|2,0,0]=4 18119 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,2,0,0,0,0|1,0,1]=4 18120 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|1,0,1]=4 18121 B12R0.206 CCCCOCCN(C)CCCC 2230a_100000207549_100000743108 [0,2,0,0,0,0|2,0,0]=4 18122 B12R0.206 CCCCOCCN(C)CCCC 269982a_100000207549_100000743108 [0,2,0,0,0,0|2,0,0]=4 18123 B12R0.206 CCCCOCCN(C)CCCO 2230a_100000213112_100000743108 [0,2,0,0,0,0|1,0,0]=3 18124 B12R0.206 CCCCOCCN(C)CCCO 269982a_100000213112_100000743108 [0,2,0,0,0,0|1,0,0]=3 18125 B12R0.206 CCCCOCCN(C)CCOC 2230a_100000743101_100000743108 [0,2,0,0,0,0|2,0,0]=4 18126 B12R0.206 CCCCOCCN(C)CCOC 269982a_100000743101_100000743108 [0,2,0,0,0,0|2,0,0]=4 18127 B12R0.206 CCCCOCNC(C)CCCC 2230a_100000126638_100011995733 [0,2,0,0,0,0|2,0,0]=4 18128 B12R0.206 CCCCOCOC(C)CCCC 34a_100000687866_100011995733 [0,2,0,0,0,0|2,0,0]=4 18129 B12R0.206 CCCCOCOC(C)CCCCl 34a_200000718107_100011995733 [0,2,0,0,0,0|2,0,0]=4 18130 B12R0.206 CCCCOCSC(C)CCCC 62a_100011995733_200011215066 [0,2,0,0,0,0|2,0,0]=4 18131 B12R0.206 CCCCOCSC(C)CCCC 62a_200011215066_100011995733 [0,2,0,0,0,0|2,0,0]=4 18132 B12R0.206 CCCC[C@H](N)COCC#CCO 34a_100011934283_200000047223 [0,2,0,0,0,0|0,0,2]=4 18133 B12R0.206 CCCC[C@H](N)COCCCCF 34a_100011934283_100000729493 [0,2,0,0,0,0|1,0,0]=3 18134 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,2,0,0,0,0|0,0,0]=2 18135 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [0,2,0,0,0,0|1,0,0]=3 18136 B12R0.206 CCCC[C@H](N)COCCOCC 34a_100011934283_100000210147 [0,2,0,0,0,0|2,0,0]=4 18137 B12R0.206 CCCC[C@H](N)COCCSCC 34a_100011934283_100000757381 [0,2,0,0,0,0|2,0,0]=4 18138 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|0,0,1]=3 18139 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|1,0,1]=4 18140 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|1,0,1]=4 18141 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|1,0,1]=4 18142 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|1,0,1]=4 18143 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,2,0,0,0,0|1,0,1]=4 18144 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,2,0,0,0,0|1,0,1]=4 18145 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,2,0,0,0,0|1,0,1]=4 18146 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,2,0,0,0,0|1,0,1]=4 18147 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,2,0,0,0,0|1,0,1]=4 18148 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,2,0,0,0,0|1,0,1]=4 18149 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,2,0,0,0,0|1,0,1]=4 18150 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,2,0,0,0,0|1,0,1]=4 18151 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,2,0,0,0,0|1,0,1]=4 18152 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,2,0,0,0,0|1,0,1]=4 18153 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,2,0,0,0,0|1,0,1]=4 18154 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,2,0,0,0,0|1,0,1]=4 18155 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,2,0,0,0,0|1,0,1]=4 18156 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|1,0,1]=4 18157 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|1,0,1]=4 18158 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|1,0,1]=4 18159 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|1,0,1]=4 18160 B12R0.206 CCCOC(C)CNCCCCF 2230a_100015185124_100000729493 [0,2,0,0,0,0|2,0,0]=4 18161 B12R0.206 CCCOC(C)CNCCCCF 34a_100015185124_100000729493 [0,2,0,0,0,0|2,0,0]=4 18162 B12R0.206 CCCOC(C)CNCCCCO 2230a_100015185124_100000210776 [0,2,0,0,0,0|1,0,0]=3 18163 B12R0.206 CCCOC(C)CNCCCCO 34a_100015185124_100011216708 [0,2,0,0,0,0|1,0,0]=3 18164 B12R0.206 CCCOC(C)CNCCCOC 2230a_100015185124_100000740836 [0,2,0,0,0,0|2,0,0]=4 18165 B12R0.206 CCCOC(C)CNCCCOC 34a_100015185124_100000740836 [0,2,0,0,0,0|2,0,0]=4 18166 B12R0.206 CCCOCCNC(C)CCOC 270004a_100161115042_100000742357 [0,2,0,0,0,0|2,0,0]=4 18167 B12R0.206 CCCOCCOC(C)CCCCl 34a_200000718107_100011215938 [0,2,0,0,0,0|2,0,0]=4 18168 B12R0.206 CCCOCCOC(C)CCCCl 7a_200000718107_100011215938 [0,2,0,0,0,0|2,0,0]=4 18169 B12R0.206 CCCSCCNC(C)CCOC 270004a_100020603323_100000742357 [0,2,0,0,0,0|2,0,0]=4 18170 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|1,0,1]=4 18171 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|0,0,1]=3 18172 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,2,0,0,0,0|1,0,1]=4 18173 B12R0.206 CCOCC(C)OCCCCCF 34a_100000718985_100000729378 [0,2,0,0,0,0|2,0,0]=4 18174 B12R0.206 CCOCC(C)OCCCCCF 7a_100000718985_100000729378 [0,2,0,0,0,0|2,0,0]=4 18175 B12R0.206 CCOCC(C)OCCCCCO 34a_100000718985_100000746330 [0,2,0,0,0,0|1,0,0]=3 18176 B12R0.206 CCOCC(C)OCCCCCO 7a_100000718985_100000746330 [0,2,0,0,0,0|1,0,0]=3 18177 B12R0.206 CCOCC(C)OCCCCOC 34a_100000718985_100000755781 [0,2,0,0,0,0|2,0,0]=4 18178 B12R0.206 CCOCC(C)OCCCCOC 7a_100000718985_100000730899 [0,2,0,0,0,0|2,0,0]=4 18179 B12R0.206 CCOCC(C)OCCOCCO 34a_100000718985_100000692535 [0,2,0,0,0,0|2,0,0]=4 18180 B12R0.206 CCOCC(C)OCCOCCO 7a_100000718985_100011215305 [0,2,0,0,0,0|2,0,0]=4 18181 B12R0.206 CCOCC(O)CNCCCCF 2230a_102515437182_100000729493 [0,2,0,0,0,0|2,0,0]=4 18182 B12R0.206 CCOCC(O)CNCCCCF 34a_102515437182_100000729493 [0,2,0,0,0,0|2,0,0]=4 18183 B12R0.206 CCOCC(O)CNCCCCO 2230a_102515437182_100000210776 [0,2,0,0,0,0|1,0,0]=3 18184 B12R0.206 CCOCC(O)CNCCCCO 34a_102515437182_100011216708 [0,2,0,0,0,0|1,0,0]=3 18185 B12R0.206 CCOCC(O)CNCCCOC 2230a_102515437182_100000740836 [0,2,0,0,0,0|2,0,0]=4 18186 B12R0.206 CCOCC(O)CNCCCOC 34a_102515437182_100000740836 [0,2,0,0,0,0|2,0,0]=4 18187 B12R0.206 CCOCCCNC(C)CCOC 270004a_100000210961_100000742357 [0,2,0,0,0,0|2,0,0]=4 18188 B12R0.206 CCOCCCOC(C)CCCCl 34a_200000718107_100012232248 [0,2,0,0,0,0|2,0,0]=4 18189 B12R0.206 CCOCCCOC(C)CCCCl 7a_200000718107_100012232248 [0,2,0,0,0,0|2,0,0]=4 18190 B12R0.206 CCOCCNC[C@H](C)CCCO 2230a_100160569302_100011215890 [0,2,0,0,0,0|1,0,0]=3 18191 B12R0.206 CCOCCNC[C@H](C)CCCO 34a_100160569302_100000210147 [0,2,0,0,0,0|1,0,0]=3 18192 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,2,0,0,0,0|1,0,1]=4 18193 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,2,0,0,0,0|0,0,1]=3 18194 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,2,0,0,0,0|1,0,1]=4 18195 B12R0.206 CCSCC(C)NCCCCCO 270004a_100000762737_200011216171 [0,2,0,0,0,0|1,0,0]=3 18196 B12R0.206 CCSCC(C)NCCOCCO 270004a_100000211614_200011216171 [0,2,0,0,0,0|2,0,0]=4 18197 B12R0.206 CCSCC(C)NCCSCCO 270004a_100011219999_200011216171 [0,2,0,0,0,0|2,0,0]=4 18198 B12R0.206 CCSCCNC[C@H](C)CCCO 2230a_100160569302_100000757381 [0,2,0,0,0,0|1,0,0]=3 18199 B12R0.206 CCSCCNC[C@H](C)CCCO 34a_100160569302_100000757381 [0,2,0,0,0,0|1,0,0]=3 18200 B12R0.206 CN(CCC#N)CCCCCCO 2230a_100000184479_100000766143 [0,2,0,0,0,0|1,0,1]=4 18201 B12R0.206 CN(CCCO)CCCCCC#N 2230a_100000213112_100009813376 [0,2,0,0,0,0|1,0,1]=4 18202 B12R0.206 CN(CCCO)CCCCCC#N 269982a_100000213112_100009813376 [0,2,0,0,0,0|1,0,1]=4 18203 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [0,2,0,0,0,0|1,0,1]=4 18204 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [0,2,0,0,0,0|1,0,1]=4 18205 B12R0.206 CN(CCCO)CCCCCCF 2230a_100000213112_100015922095 [0,2,0,0,0,0|1,0,0]=3 18206 B12R0.206 CN(CCCO)CCCCCCF 269982a_100000213112_100015922095 [0,2,0,0,0,0|1,0,0]=3 18207 B12R0.206 CN(CCCO)CCCCCCO 2230a_100000213112_100000766143 [0,2,0,0,0,0|1,0,0]=3 18208 B12R0.206 CN(CCCO)CCCCCCO 269982a_100000213112_100000766143 [0,2,0,0,0,0|1,0,0]=3 18209 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|1,0,1]=4 18210 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|0,0,1]=3 18211 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|0,0,1]=3 18212 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,2,0,0,0,0|1,0,1]=4 18213 B12R0.206 COCCC(C)NCCCCCO 270004a_100000762737_100000742357 [0,2,0,0,0,0|1,0,0]=3 18214 B12R0.206 COCCC(C)NCCOCCO 270004a_100000211614_100000742357 [0,2,0,0,0,0|2,0,0]=4 18215 B12R0.206 COCCC(C)NCCSCCO 270004a_100011219999_100000742357 [0,2,0,0,0,0|2,0,0]=4 18216 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,2,0,0,0,0|1,0,1]=4 18217 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|0,0,1]=3 18218 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|1,0,1]=4 18219 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,2,0,0,0,0|1,0,1]=4 18220 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|1,0,1]=4 18221 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|1,0,1]=4 18222 B12R0.206 COCCCCOC(C)CCCCl 34a_200000718107_100000755781 [0,2,0,0,0,0|2,0,0]=4 18223 B12R0.206 COCCCCOC(C)CCCCl 7a_200000718107_100000730899 [0,2,0,0,0,0|2,0,0]=4 18224 B12R0.206 COCCCNC[C@H](C)CCCO 2230a_100160569302_100000740836 [0,2,0,0,0,0|1,0,0]=3 18225 B12R0.206 COCCCNC[C@H](C)CCCO 34a_100160569302_100000740836 [0,2,0,0,0,0|1,0,0]=3 18226 B12R0.206 COCCCOC[C@@H](N)CCSC 34a_100011827619_100000740836 [0,2,0,0,0,0|2,0,0]=4 18227 B12R0.206 COCCN(C)CCCCCCF 2230a_100000743101_100015922095 [0,2,0,0,0,0|2,0,0]=4 18228 B12R0.206 COCCN(C)CCCCCCF 269982a_100000743101_100015922095 [0,2,0,0,0,0|2,0,0]=4 18229 B12R0.206 COCCN(C)CCCCCCO 2230a_100000743101_100000766143 [0,2,0,0,0,0|1,0,0]=3 18230 B12R0.206 COCCN(C)CCCCCCO 269982a_100000743101_100000766143 [0,2,0,0,0,0|1,0,0]=3 18231 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,2,0,0,0,0|1,0,1]=4 18232 B12R0.206 COCCOCCN(C)CCCO 2230a_100000213112_100000695917 [0,2,0,0,0,0|2,0,0]=4 18233 B12R0.206 COCCOCCN(C)CCCO 269982a_100000213112_100000695917 [0,2,0,0,0,0|2,0,0]=4 18234 B12R0.206 COCO[C@H](C)COCCCCO 34a_100016172286_100011216708 [0,2,0,0,0,0|2,0,0]=4 18235 B12R0.206 COCO[C@H](C)COCCCCO 7a_100016172286_100000210776 [0,2,0,0,0,0|2,0,0]=4 18236 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,2,0,0,0,0|1,0,1]=4 18237 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,2,0,0,0,0|0,0,1]=3 18238 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,2,0,0,0,0|0,0,1]=3 18239 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,2,0,0,0,0|1,0,1]=4 18240 B12R0.206 CSCCC(C)NCCCCCO 270004a_100000762737_100011217047 [0,2,0,0,0,0|1,0,0]=3 18241 B12R0.206 CSCCC(C)NCCOCCO 270004a_100000211614_100011217047 [0,2,0,0,0,0|2,0,0]=4 18242 B12R0.206 CSCCC(C)NCCSCCO 270004a_100011219999_100011217047 [0,2,0,0,0,0|2,0,0]=4 18243 B12R0.206 CSCCN(C)CCCCCCF 2230a_100000686725_100015922095 [0,2,0,0,0,0|2,0,0]=4 18244 B12R0.206 CSCCN(C)CCCCCCF 269982a_100000686725_100015922095 [0,2,0,0,0,0|2,0,0]=4 18245 B12R0.206 CSCCN(C)CCCCCCO 2230a_100000686725_100000766143 [0,2,0,0,0,0|1,0,0]=3 18246 B12R0.206 CSCCN(C)CCCCCCO 269982a_100000686725_100000766143 [0,2,0,0,0,0|1,0,0]=3 18247 B12R0.206 CSCC[C@H](N)COCCCCF 34a_100011827619_100000729493 [0,2,0,0,0,0|2,0,0]=4 18248 B12R0.206 CSCC[C@H](N)COCCCCO 34a_100011827619_100011216708 [0,2,0,0,0,0|1,0,0]=3 18249 B12R0.206 C[C@H](CCCO)CNCCCC#N 2230a_100160569302_100000687738 [0,2,0,0,0,0|1,0,1]=4 18250 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [0,2,0,0,0,0|1,0,1]=4 18251 B12R0.206 C[C@H](CCCO)CNCCCCF 2230a_100160569302_100000729493 [0,2,0,0,0,0|1,0,0]=3 18252 B12R0.206 C[C@H](CCCO)CNCCCCF 34a_100160569302_100000729493 [0,2,0,0,0,0|1,0,0]=3 18253 B12R0.206 C[C@H](CCCO)CNCCCCO 2230a_100160569302_100000210776 [0,2,0,0,0,0|1,0,0]=3 18254 B12R0.206 C[C@H](CCCO)CNCCCCO 34a_100160569302_100011216708 [0,2,0,0,0,0|1,0,0]=3 18255 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,2,0,0,0,0|0,0,2]=4 18256 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,2,0,0,0,0|0,0,2]=4 18257 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|1,0,1]=4 18258 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|1,0,1]=4 18259 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,2,0,0,0,0|0,0,1]=3 18260 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|0,0,1]=3 18261 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,2,0,0,0,0|1,0,1]=4 18262 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,2,0,0,0,0|1,0,1]=4 18263 B12R0.234 C#CCCCCCCCNC(C)C 2230a_100138425928_100153394163 [0,2,0,0,0,0|1,0,1]=4 18264 B12R0.234 C#CCCCCCCCNC(C)C 34a_100138425928_100153394163 [0,2,0,0,0,0|1,0,1]=4 18265 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000054614_100000210206 [0,2,0,0,0,0|1,0,1]=4 18266 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000212225_100153394163 [0,2,0,0,0,0|1,0,1]=4 18267 B12R0.234 C#CCCCCCCCOC(C)C 7a_100000054614_100000210206 [0,2,0,0,0,0|1,0,1]=4 18268 B12R0.234 C#CCCCCCCCSC(C)C 62a_100000210206_100153394163 [0,2,0,0,0,0|1,0,1]=4 18269 B12R0.234 C#CCCCCCCCSC(C)C 62a_100153394163_100000210206 [0,2,0,0,0,0|1,0,1]=4 18270 B12R0.234 C#CCCCCCCNCC(C)C 2230a_100000210953_100012276617 [0,2,0,0,0,0|1,0,1]=4 18271 B12R0.234 C#CCCCCCCNCC(C)C 34a_100000210953_100012276617 [0,2,0,0,0,0|1,0,1]=4 18272 B12R0.234 C#CCCCCCCNCC(C)O 2230a_100000210904_100012276617 [0,2,0,0,0,0|0,0,2]=4 18273 B12R0.234 C#CCCCCCCNCC(C)O 34a_100000210904_100012276617 [0,2,0,0,0,0|0,0,2]=4 18274 B12R0.234 C#CCCCCCCOCC(C)Br 34a_100012180447_100012276617 [0,2,0,0,0,0|1,0,1]=4 18275 B12R0.234 C#CCCCCCCOCC(C)C 34a_100000210257_100012276617 [0,2,0,0,0,0|1,0,1]=4 18276 B12R0.234 C#CCCCCCCOCC(C)C 34a_100011217361_100000210624 [0,2,0,0,0,0|1,0,1]=4 18277 B12R0.234 C#CCCCCCCOCC(C)C 7a_100011217361_100000210760 [0,2,0,0,0,0|1,0,1]=4 18278 B12R0.234 C#CCCCCCCOCC(C)F 34a_100015925927_100012276617 [0,2,0,0,0,0|1,0,1]=4 18279 B12R0.234 C#CCCCCCCOCC(C)O 34a_100011217361_100011218427 [0,2,0,0,0,0|0,0,2]=4 18280 B12R0.234 C#CCCCCCCOCC(C)O 7a_100011217361_100011218427 [0,2,0,0,0,0|0,0,2]=4 18281 B12R0.234 C#CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012276617 [0,2,0,0,0,0|1,0,1]=4 18282 B12R0.234 C#CCCCCCCOC[C@@H](C)N 34a_100000737577_100012276617 [0,2,0,0,0,0|1,0,1]=4 18283 B12R0.234 C#CCCCCCCOC[C@@H](C)O 34a_100011217361_100009817552 [0,2,0,0,0,0|0,0,2]=4 18284 B12R0.234 C#CCCCCCCOC[C@@H](C)O 7a_100011217361_100009817552 [0,2,0,0,0,0|0,0,2]=4 18285 B12R0.234 C#CCCCCCCSCC(C)C 62a_100000210624_100012276617 [0,2,0,0,0,0|1,0,1]=4 18286 B12R0.234 C#CCCCCCCSCC(C)C 62a_100012276617_100000210760 [0,2,0,0,0,0|1,0,1]=4 18287 B12R0.234 C#CCCCCCCSCC(C)O 62a_100011218427_100012276617 [0,2,0,0,0,0|0,0,2]=4 18288 B12R0.234 C#CCCCCCCSCC(C)O 62a_100012276617_100011218427 [0,2,0,0,0,0|0,0,2]=4 18289 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100009817552_100012276617 [0,2,0,0,0,0|0,0,2]=4 18290 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100012276617_100009817552 [0,2,0,0,0,0|0,0,2]=4 18291 B12R0.234 C#CCCCCCNCCC(C)O 2230a_200000755665_100012094781 [0,2,0,0,0,0|0,0,2]=4 18292 B12R0.234 C#CCCCCCOCCC(C)Br 34a_100009893172_100012094781 [0,2,0,0,0,0|1,0,1]=4 18293 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000210254_100012094781 [0,2,0,0,0,0|1,0,1]=4 18294 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000766912_100000210312 [0,2,0,0,0,0|1,0,1]=4 18295 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000210254_100012094781 [0,2,0,0,0,0|1,0,1]=4 18296 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000766912_100000210626 [0,2,0,0,0,0|1,0,1]=4 18297 B12R0.234 C#CCCCCCOCCC(C)O 34a_100000766912_100012276601 [0,2,0,0,0,0|0,0,2]=4 18298 B12R0.234 C#CCCCCCOCCC(C)O 7a_100000766912_100012276601 [0,2,0,0,0,0|0,0,2]=4 18299 B12R0.234 C#CCCCCCOCC[C@@H](C)N 34a_100000706166_100012094781 [0,2,0,0,0,0|1,0,1]=4 18300 B12R0.234 C#CCCCCCSCCC(C)C 62a_100000210312_100012094781 [0,2,0,0,0,0|1,0,1]=4 18301 B12R0.234 C#CCCCCCSCCC(C)C 62a_100012094781_100000210312 [0,2,0,0,0,0|1,0,1]=4 18302 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012094781_100012276601 [0,2,0,0,0,0|0,0,2]=4 18303 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012276601_100012094781 [0,2,0,0,0,0|0,0,2]=4 18304 B12R0.234 C#CCCCCNCCCC(C)C 2230a_100000706060_100011214892 [0,2,0,0,0,0|1,0,1]=4 18305 B12R0.234 C#CCCCCNCCCC(C)C 2230a_200000737386_100010269958 [0,2,0,0,0,0|1,0,1]=4 18306 B12R0.234 C#CCCCCNCCCC(C)C 34a_100000706060_100011214892 [0,2,0,0,0,0|1,0,1]=4 18307 B12R0.234 C#CCCCCNCCCC(C)C 34a_200000737386_100010269958 [0,2,0,0,0,0|1,0,1]=4 18308 B12R0.234 C#CCCCCNCCCC(C)O 2230a_100000706060_200000718107 [0,2,0,0,0,0|0,0,2]=4 18309 B12R0.234 C#CCCCCNCCCC(C)O 34a_100000706060_200000718107 [0,2,0,0,0,0|0,0,2]=4 18310 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000210774_100010269958 [0,2,0,0,0,0|1,0,1]=4 18311 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000766709_100011214892 [0,2,0,0,0,0|1,0,1]=4 18312 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000210774_100010269958 [0,2,0,0,0,0|1,0,1]=4 18313 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000766709_100011214892 [0,2,0,0,0,0|1,0,1]=4 18314 B12R0.234 C#CCCCCOCCCC(C)O 34a_100000766709_200000718107 [0,2,0,0,0,0|0,0,2]=4 18315 B12R0.234 C#CCCCCOCCCC(C)O 7a_100000766709_200000718107 [0,2,0,0,0,0|0,0,2]=4 18316 B12R0.234 C#CCCCCSCCCC(C)C 62a_100010269958_100011214892 [0,2,0,0,0,0|1,0,1]=4 18317 B12R0.234 C#CCCCCSCCCC(C)C 62a_100011214892_100010269958 [0,2,0,0,0,0|1,0,1]=4 18318 B12R0.234 C#CCCCCSCCCC(C)O 62a_100010269958_200000718107 [0,2,0,0,0,0|0,0,2]=4 18319 B12R0.234 C#CCCCCSCCCC(C)O 62a_200000718107_100010269958 [0,2,0,0,0,0|0,0,2]=4 18320 B12R0.234 C#CCCCNCCCCC(C)C 34a_100000718082_100011216152 [0,2,0,0,0,0|1,0,1]=4 18321 B12R0.234 C#CCCCOCCCCC(C)C 34a_100000215630_100011216152 [0,2,0,0,0,0|1,0,1]=4 18322 B12R0.234 C#CCCCOCCCCC(C)C 34a_100011214890_100000695029 [0,2,0,0,0,0|1,0,1]=4 18323 B12R0.234 C#CCCCOCCCCC(C)C 7a_100000215630_100011216152 [0,2,0,0,0,0|1,0,1]=4 18324 B12R0.234 C#CCCCOCCCCC(C)C 7a_100011214890_100011215417 [0,2,0,0,0,0|1,0,1]=4 18325 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011215417_100011216152 [0,2,0,0,0,0|1,0,1]=4 18326 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011216152_100011215417 [0,2,0,0,0,0|1,0,1]=4 18327 B12R0.234 C#CCCNCCCCCC(C)C 2230a_100011290863_100000688953 [0,2,0,0,0,0|1,0,1]=4 18328 B12R0.234 C#CCCNCCCCCC(C)C 34a_100000755551_100000210682 [0,2,0,0,0,0|1,0,1]=4 18329 B12R0.234 C#CCCNCCCCCC(C)C 34a_100011290863_100000688953 [0,2,0,0,0,0|1,0,1]=4 18330 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011215631_100000210682 [0,2,0,0,0,0|1,0,1]=4 18331 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011995859_100000688953 [0,2,0,0,0,0|1,0,1]=4 18332 B12R0.234 C#CCCOCCCCCC(C)C 7a_100011995859_100000688953 [0,2,0,0,0,0|1,0,1]=4 18333 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000210682_100000688953 [0,2,0,0,0,0|1,0,1]=4 18334 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000688953_100000210682 [0,2,0,0,0,0|1,0,1]=4 18335 B12R0.234 C#CCNCCCCCCC(C)C 2230a_100000211014_100000038162 [0,2,0,0,0,0|1,0,1]=4 18336 B12R0.234 C#CCNCCCCCCC(C)C 34a_100000211014_100000184674 [0,2,0,0,0,0|1,0,1]=4 18337 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,2,0,0,0,0|1,0,1]=4 18338 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,2,0,0,0,0|0,0,2]=4 18339 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,2,0,0,0,0|1,0,1]=4 18340 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,2,0,0,0,0|0,0,1]=3 18341 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,2,0,0,0,0|0,0,1]=3 18342 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,2,0,0,0,0|1,0,1]=4 18343 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,2,0,0,0,0|1,0,1]=4 18344 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,2,0,0,0,0|1,0,1]=4 18345 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,2,0,0,0,0|1,0,1]=4 18346 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,2,0,0,0,0|1,0,1]=4 18347 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,2,0,0,0,0|1,0,1]=4 18348 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,2,0,0,0,0|1,0,1]=4 18349 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,2,0,0,0,0|1,0,1]=4 18350 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,2,0,0,0,0|1,0,1]=4 18351 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,2,0,0,0,0|1,0,1]=4 18352 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,2,0,0,0,0|1,0,1]=4 18353 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,2,0,0,0,0|1,0,1]=4 18354 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,2,0,0,0,0|1,0,1]=4 18355 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,2,0,0,0,0|0,0,1]=3 18356 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,2,0,0,0,0|1,0,1]=4 18357 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,2,0,0,0,0|1,0,1]=4 18358 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,2,0,0,0,0|1,0,1]=4 18359 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,2,0,0,0,0|1,0,1]=4 18360 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,2,0,0,0,0|0,0,1]=3 18361 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,2,0,0,0,0|0,0,1]=3 18362 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,2,0,0,0,0|1,0,1]=4 18363 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,2,0,0,0,0|1,0,1]=4 18364 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,2,0,0,0,0|0,0,1]=3 18365 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,2,0,0,0,0|0,0,1]=3 18366 B12R0.234 C=C(C)CNCCCOCCCO 2230a_100011310245_100000748629 [0,2,0,0,0,0|1,0,1]=4 18367 B12R0.234 C=C(C)CNCCCOCCCO 34a_100011310245_100000748629 [0,2,0,0,0,0|1,0,1]=4 18368 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,2,0,0,0,0|1,0,1]=4 18369 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,2,0,0,0,0|1,0,1]=4 18370 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,2,0,0,0,0|1,0,1]=4 18371 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,2,0,0,0,0|1,0,1]=4 18372 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,2,0,0,0,0|1,0,1]=4 18373 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,2,0,0,0,0|1,0,1]=4 18374 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,2,0,0,0,0|0,0,1]=3 18375 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,2,0,0,0,0|1,0,1]=4 18376 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,2,0,0,0,0|1,0,1]=4 18377 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,2,0,0,0,0|1,0,1]=4 18378 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,2,0,0,0,0|1,0,1]=4 18379 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,2,0,0,0,0|1,0,1]=4 18380 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,2,0,0,0,0|0,0,1]=3 18381 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,2,0,0,0,0|0,0,1]=3 18382 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,2,0,0,0,0|1,0,1]=4 18383 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,2,0,0,0,0|1,0,1]=4 18384 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,2,0,0,0,0|1,0,1]=4 18385 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,2,0,0,0,0|1,0,1]=4 18386 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,2,0,0,0,0|0,0,2]=4 18387 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,2,0,0,0,0|0,0,2]=4 18388 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,2,0,0,0,0|1,0,1]=4 18389 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,2,0,0,0,0|1,0,1]=4 18390 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,2,0,0,0,0|1,0,1]=4 18391 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,2,0,0,0,0|0,0,2]=4 18392 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,2,0,0,0,0|1,0,1]=4 18393 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,2,0,0,0,0|1,0,1]=4 18394 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,2,0,0,0,0|0,0,2]=4 18395 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,2,0,0,0,0|0,0,2]=4 18396 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,2,0,0,0,0|1,0,1]=4 18397 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,2,0,0,0,0|1,0,1]=4 18398 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,2,0,0,0,0|1,0,1]=4 18399 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,2,0,0,0,0|1,0,1]=4 18400 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,2,0,0,0,0|1,0,1]=4 18401 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,2,0,0,0,0|1,0,1]=4 18402 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,2,0,0,0,0|1,0,1]=4 18403 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,2,0,0,0,0|1,0,1]=4 18404 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,2,0,0,0,0|1,0,1]=4 18405 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,2,0,0,0,0|1,0,1]=4 18406 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,2,0,0,0,0|1,0,1]=4 18407 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,2,0,0,0,0|1,0,1]=4 18408 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,2,0,0,0,0|1,0,1]=4 18409 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,2,0,0,0,0|1,0,1]=4 18410 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,2,0,0,0,0|0,0,2]=4 18411 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,2,0,0,0,0|0,0,2]=4 18412 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,2,0,0,0,0|1,0,1]=4 18413 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,2,0,0,0,0|1,0,1]=4 18414 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,2,0,0,0,0|1,0,1]=4 18415 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,2,0,0,0,0|1,0,1]=4 18416 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,2,0,0,0,0|1,0,1]=4 18417 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,2,0,0,0,0|0,0,2]=4 18418 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,2,0,0,0,0|0,0,2]=4 18419 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,2,0,0,0,0|1,0,1]=4 18420 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,2,0,0,0,0|1,0,1]=4 18421 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,2,0,0,0,0|0,0,2]=4 18422 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,2,0,0,0,0|0,0,2]=4 18423 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,2,0,0,0,0|1,0,1]=4 18424 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,2,0,0,0,0|1,0,1]=4 18425 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,2,0,0,0,0|0,0,2]=4 18426 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,2,0,0,0,0|0,0,2]=4 18427 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,2,0,0,0,0|0,0,2]=4 18428 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,2,0,0,0,0|0,0,2]=4 18429 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,2,0,0,0,0|0,0,2]=4 18430 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,2,0,0,0,0|1,0,1]=4 18431 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,2,0,0,0,0|1,0,1]=4 18432 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,2,0,0,0,0|1,0,1]=4 18433 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,2,0,0,0,0|1,0,1]=4 18434 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,2,0,0,0,0|1,0,1]=4 18435 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,2,0,0,0,0|0,0,2]=4 18436 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,2,0,0,0,0|0,0,2]=4 18437 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,2,0,0,0,0|1,0,1]=4 18438 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,2,0,0,0,0|1,0,1]=4 18439 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,2,0,0,0,0|1,0,1]=4 18440 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,2,0,0,0,0|0,0,2]=4 18441 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,2,0,0,0,0|0,0,2]=4 18442 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,2,0,0,0,0|1,0,1]=4 18443 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,2,0,0,0,0|1,0,1]=4 18444 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,2,0,0,0,0|1,0,1]=4 18445 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,2,0,0,0,0|1,0,1]=4 18446 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,2,0,0,0,0|0,0,2]=4 18447 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,2,0,0,0,0|0,0,2]=4 18448 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,2,0,0,0,0|1,0,1]=4 18449 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,2,0,0,0,0|1,0,1]=4 18450 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,2,0,0,0,0|1,0,1]=4 18451 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,2,0,0,0,0|1,0,1]=4 18452 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,2,0,0,0,0|0,0,2]=4 18453 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,2,0,0,0,0|0,0,2]=4 18454 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,2,0,0,0,0|1,0,1]=4 18455 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,2,0,0,0,0|1,0,1]=4 18456 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,2,0,0,0,0|0,0,2]=4 18457 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,2,0,0,0,0|0,0,2]=4 18458 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,2,0,0,0,0|1,0,1]=4 18459 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,2,0,0,0,0|1,0,1]=4 18460 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,2,0,0,0,0|1,0,1]=4 18461 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,2,0,0,0,0|1,0,1]=4 18462 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,2,0,0,0,0|1,0,1]=4 18463 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,2,0,0,0,0|1,0,1]=4 18464 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,2,0,0,0,0|1,0,1]=4 18465 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,2,0,0,0,0|1,0,1]=4 18466 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,2,0,0,0,0|1,0,1]=4 18467 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,2,0,0,0,0|1,0,1]=4 18468 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,2,0,0,0,0|1,0,1]=4 18469 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,2,0,0,0,0|1,0,1]=4 18470 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,2,0,0,0,0|1,0,1]=4 18471 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,2,0,0,0,0|1,0,1]=4 18472 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,2,0,0,0,0|1,0,1]=4 18473 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,2,0,0,0,0|1,0,1]=4 18474 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,2,0,0,0,0|1,0,1]=4 18475 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,2,0,0,0,0|1,0,1]=4 18476 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,2,0,0,0,0|0,0,2]=4 18477 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,2,0,0,0,0|0,0,2]=4 18478 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,2,0,0,0,0|0,0,2]=4 18479 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,2,0,0,0,0|0,0,2]=4 18480 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,2,0,0,0,0|0,0,2]=4 18481 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,2,0,0,0,0|0,0,2]=4 18482 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,2,0,0,0,0|0,0,2]=4 18483 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,2,0,0,0,0|0,0,2]=4 18484 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,2,0,0,0,0|0,0,2]=4 18485 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,2,0,0,0,0|0,0,2]=4 18486 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,2,0,0,0,0|1,0,0]=3 18487 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,2,0,0,0,0|0,0,0]=2 18488 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,2,0,0,0,0|0,0,1]=3 18489 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,2,0,0,0,0|1,0,1]=4 18490 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,2,0,0,0,0|1,0,1]=4 18491 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,2,0,0,0,0|1,0,1]=4 18492 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,2,0,0,0,0|1,0,1]=4 18493 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,2,0,0,0,0|1,0,1]=4 18494 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,2,0,0,0,0|1,0,1]=4 18495 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,1]=4 18496 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,2,0,0,0,0|1,0,1]=4 18497 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,2,0,0,0,0|1,0,1]=4 18498 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,2,0,0,0,0|0,0,1]=3 18499 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,2,0,0,0,0|0,0,1]=3 18500 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,2,0,0,0,0|0,0,1]=3 18501 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,2,0,0,0,0|1,0,1]=4 18502 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,2,0,0,0,0|1,0,1]=4 18503 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,2,0,0,0,0|1,0,1]=4 18504 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,2,0,0,0,0|1,0,1]=4 18505 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,2,0,0,0,0|1,0,1]=4 18506 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,2,0,0,0,0|1,0,1]=4 18507 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,2,0,0,0,0|1,0,1]=4 18508 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,2,0,0,0,0|1,0,1]=4 18509 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,2,0,0,0,0|1,0,1]=4 18510 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,1]=4 18511 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,2,0,0,0,0|0,0,1]=3 18512 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,2,0,0,0,0|0,0,1]=3 18513 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,2,0,0,0,0|1,0,1]=4 18514 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,2,0,0,0,0|1,0,1]=4 18515 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,2,0,0,0,0|1,0,1]=4 18516 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,2,0,0,0,0|1,0,1]=4 18517 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,2,0,0,0,0|0,0,1]=3 18518 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,2,0,0,0,0|0,0,1]=3 18519 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,2,0,0,0,0|1,0,1]=4 18520 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,2,0,0,0,0|1,0,1]=4 18521 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,2,0,0,0,0|1,0,1]=4 18522 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,2,0,0,0,0|1,0,1]=4 18523 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,2,0,0,0,0|1,0,1]=4 18524 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,2,0,0,0,0|1,0,1]=4 18525 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,2,0,0,0,0|1,0,1]=4 18526 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,2,0,0,0,0|0,0,1]=3 18527 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,2,0,0,0,0|0,0,1]=3 18528 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,2,0,0,0,0|1,0,1]=4 18529 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,2,0,0,0,0|1,0,1]=4 18530 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,2,0,0,0,0|0,0,1]=3 18531 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,2,0,0,0,0|0,0,1]=3 18532 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,2,0,0,0,0|0,0,1]=3 18533 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,2,0,0,0,0|0,0,1]=3 18534 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,2,0,0,0,0|1,0,1]=4 18535 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,2,0,0,0,0|1,0,1]=4 18536 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,2,0,0,0,0|1,0,1]=4 18537 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,2,0,0,0,0|1,0,1]=4 18538 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,2,0,0,0,0|1,0,1]=4 18539 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,2,0,0,0,0|1,0,1]=4 18540 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,2,0,0,0,0|1,0,1]=4 18541 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,2,0,0,0,0|1,0,1]=4 18542 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,2,0,0,0,0|1,0,1]=4 18543 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,2,0,0,0,0|1,0,1]=4 18544 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,2,0,0,0,0|1,0,1]=4 18545 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,2,0,0,0,0|1,0,1]=4 18546 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,2,0,0,0,0|1,0,1]=4 18547 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,2,0,0,0,0|1,0,1]=4 18548 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,2,0,0,0,0|1,0,1]=4 18549 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,2,0,0,0,0|1,0,1]=4 18550 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,2,0,0,0,0|1,0,1]=4 18551 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,2,0,0,0,0|1,0,1]=4 18552 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,2,0,0,0,0|1,0,1]=4 18553 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,2,0,0,0,0|1,0,1]=4 18554 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,2,0,0,0,0|1,0,1]=4 18555 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,2,0,0,0,0|1,0,1]=4 18556 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,2,0,0,0,0|1,0,1]=4 18557 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,2,0,0,0,0|1,0,1]=4 18558 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,2,0,0,0,0|1,0,1]=4 18559 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,2,0,0,0,0|1,0,1]=4 18560 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,2,0,0,0,0|1,0,1]=4 18561 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,2,0,0,0,0|1,0,1]=4 18562 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,2,0,0,0,0|1,0,1]=4 18563 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,2,0,0,0,0|1,0,1]=4 18564 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,2,0,0,0,0|1,0,1]=4 18565 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,2,0,0,0,0|1,0,1]=4 18566 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,2,0,0,0,0|1,0,1]=4 18567 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,2,0,0,0,0|1,0,1]=4 18568 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [0,2,0,0,0,0|1,0,1]=4 18569 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [0,2,0,0,0,0|1,0,1]=4 18570 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [0,2,0,0,0,0|1,0,1]=4 18571 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [0,2,0,0,0,0|1,0,1]=4 18572 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [0,2,0,0,0,0|1,0,0]=3 18573 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,2,0,0,0,0|0,0,0]=2 18574 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,2,0,0,0,0|0,0,0]=2 18575 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,2,0,0,0,0|1,0,0]=3 18576 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,2,0,0,0,0|1,0,0]=3 18577 B12R0.234 CC(C)CCCCCCNCC#N 2230a_100000211014_100011215382 [0,2,0,0,0,0|1,0,1]=4 18578 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [0,2,0,0,0,0|0,0,2]=4 18579 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [0,2,0,0,0,0|0,0,2]=4 18580 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,2,0,0,0,0|1,0,0]=3 18581 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,2,0,0,0,0|1,0,0]=3 18582 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,2,0,0,0,0|0,0,0]=2 18583 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,2,0,0,0,0|0,0,0]=2 18584 B12R0.234 CC(C)CCCCCNCCC#N 2230a_100011290863_100011215226 [0,2,0,0,0,0|1,0,1]=4 18585 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [0,2,0,0,0,0|1,0,0]=3 18586 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [0,2,0,0,0,0|1,0,0]=3 18587 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [0,2,0,0,0,0|1,0,0]=3 18588 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [0,2,0,0,0,0|1,0,0]=3 18589 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,2,0,0,0,0|0,0,0]=2 18590 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,2,0,0,0,0|0,0,0]=2 18591 B12R0.234 CC(C)CCCCCOCCC#N 7a_100011995859_100000184422 [0,2,0,0,0,0|1,0,1]=4 18592 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [0,2,0,0,0,0|1,0,0]=3 18593 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [0,2,0,0,0,0|1,0,0]=3 18594 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [0,2,0,0,0,0|1,0,0]=3 18595 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [0,2,0,0,0,0|1,0,0]=3 18596 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [0,2,0,0,0,0|1,0,0]=3 18597 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,2,0,0,0,0|1,0,0]=3 18598 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,2,0,0,0,0|0,0,0]=2 18599 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,2,0,0,0,0|0,0,0]=2 18600 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [0,2,0,0,0,0|1,0,0]=3 18601 B12R0.234 CC(C)CCCCCSCCC#N 62a_100000210682_100011215226 [0,2,0,0,0,0|1,0,1]=4 18602 B12R0.234 CC(C)CCCCCSCCC#N 62a_100011215226_100000210682 [0,2,0,0,0,0|1,0,1]=4 18603 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [0,2,0,0,0,0|1,0,0]=3 18604 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [0,2,0,0,0,0|1,0,0]=3 18605 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,2,0,0,0,0|0,0,0]=2 18606 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,2,0,0,0,0|0,0,0]=2 18607 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,2,0,0,0,0|0,0,0]=2 18608 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,2,0,0,0,0|0,0,0]=2 18609 B12R0.234 CC(C)CCCCOCC#CCO 34a_100011214890_200000047223 [0,2,0,0,0,0|0,0,2]=4 18610 B12R0.234 CC(C)CCCCOCC#CCO 7a_100011214890_200000047223 [0,2,0,0,0,0|0,0,2]=4 18611 B12R0.234 CC(C)CCCCOCCCC#N 7a_100011214890_100000687738 [0,2,0,0,0,0|1,0,1]=4 18612 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,2,0,0,0,0|0,0,2]=4 18613 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [0,2,0,0,0,0|1,0,0]=3 18614 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [0,2,0,0,0,0|1,0,0]=3 18615 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [0,2,0,0,0,0|1,0,0]=3 18616 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [0,2,0,0,0,0|1,0,0]=3 18617 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [0,2,0,0,0,0|1,0,0]=3 18618 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [0,2,0,0,0,0|1,0,0]=3 18619 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [0,2,0,0,0,0|1,0,0]=3 18620 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [0,2,0,0,0,0|1,0,0]=3 18621 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,2,0,0,0,0|1,0,0]=3 18622 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,2,0,0,0,0|0,0,0]=2 18623 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,2,0,0,0,0|0,0,0]=2 18624 B12R0.234 CC(C)CCCCSCC#CCO 62a_100011216152_200000047223 [0,2,0,0,0,0|0,0,2]=4 18625 B12R0.234 CC(C)CCCCSCC#CCO 62a_200000047223_100011216152 [0,2,0,0,0,0|0,0,2]=4 18626 B12R0.234 CC(C)CCCCSCCCC#N 62a_100000687738_100011216152 [0,2,0,0,0,0|1,0,1]=4 18627 B12R0.234 CC(C)CCCCSCCCC#N 62a_100011216152_100000687738 [0,2,0,0,0,0|1,0,1]=4 18628 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [0,2,0,0,0,0|0,0,2]=4 18629 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [0,2,0,0,0,0|0,0,2]=4 18630 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [0,2,0,0,0,0|1,0,0]=3 18631 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [0,2,0,0,0,0|1,0,0]=3 18632 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,2,0,0,0,0|0,0,0]=2 18633 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,2,0,0,0,0|0,0,0]=2 18634 B12R0.234 CC(C)CCCNCCCCC#N 2230a_200000737386_100000211819 [0,2,0,0,0,0|1,0,1]=4 18635 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,2,0,0,0,0|0,0,2]=4 18636 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [0,2,0,0,0,0|1,0,0]=3 18637 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [0,2,0,0,0,0|1,0,0]=3 18638 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,2,0,0,0,0|0,0,0]=2 18639 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,2,0,0,0,0|0,0,0]=2 18640 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,2,0,0,0,0|0,0,0]=2 18641 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,2,0,0,0,0|0,0,0]=2 18642 B12R0.234 CC(C)CCCNCCOCCO 2230a_100000211614_100011214892 [0,2,0,0,0,0|1,0,0]=3 18643 B12R0.234 CC(C)CCCNCCOCCO 2230a_200000737386_100011215305 [0,2,0,0,0,0|1,0,0]=3 18644 B12R0.234 CC(C)CCCNCCOCCO 34a_100000211614_100011214892 [0,2,0,0,0,0|1,0,0]=3 18645 B12R0.234 CC(C)CCCNCCOCCO 34a_200000737386_100000692535 [0,2,0,0,0,0|1,0,0]=3 18646 B12R0.234 CC(C)CCCNCCSCCO 2230a_100011219999_100011214892 [0,2,0,0,0,0|1,0,0]=3 18647 B12R0.234 CC(C)CCCOCCCCC#N 7a_100000210774_100000211819 [0,2,0,0,0,0|1,0,1]=4 18648 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,2,0,0,0,0|0,0,2]=4 18649 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [0,2,0,0,0,0|1,0,0]=3 18650 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [0,2,0,0,0,0|1,0,0]=3 18651 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [0,2,0,0,0,0|1,0,0]=3 18652 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [0,2,0,0,0,0|1,0,0]=3 18653 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [0,2,0,0,0,0|1,0,0]=3 18654 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [0,2,0,0,0,0|1,0,0]=3 18655 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [0,2,0,0,0,0|1,0,0]=3 18656 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [0,2,0,0,0,0|1,0,0]=3 18657 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,2,0,0,0,0|1,0,0]=3 18658 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,2,0,0,0,0|0,0,0]=2 18659 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,2,0,0,0,0|0,0,0]=2 18660 B12R0.234 CC(C)CCCOCCOCCBr 34a_100000692535_100011214892 [0,2,0,0,0,0|2,0,0]=4 18661 B12R0.234 CC(C)CCCOCCOCCBr 7a_100000692535_100011214892 [0,2,0,0,0,0|2,0,0]=4 18662 B12R0.234 CC(C)CCCOCCOCCCl 34a_100011215305_100011214892 [0,2,0,0,0,0|2,0,0]=4 18663 B12R0.234 CC(C)CCCOCCOCCCl 7a_100011215305_100011214892 [0,2,0,0,0,0|2,0,0]=4 18664 B12R0.234 CC(C)CCCOCCOCCF 34a_200015357709_100011214892 [0,2,0,0,0,0|2,0,0]=4 18665 B12R0.234 CC(C)CCCOCCOCCF 7a_200015357709_100011214892 [0,2,0,0,0,0|2,0,0]=4 18666 B12R0.234 CC(C)CCCOCCOCCI 34a_100012149058_100011214892 [0,2,0,0,0,0|2,0,0]=4 18667 B12R0.234 CC(C)CCCOCCOCCI 7a_100012149058_100011214892 [0,2,0,0,0,0|2,0,0]=4 18668 B12R0.234 CC(C)CCCOCCOCCN 34a_100000211614_100011214892 [0,2,0,0,0,0|2,0,0]=4 18669 B12R0.234 CC(C)CCCOCCOCCO 34a_100000210774_100000692535 [0,2,0,0,0,0|1,0,0]=3 18670 B12R0.234 CC(C)CCCOCCOCCO 7a_100000210774_100011215305 [0,2,0,0,0,0|1,0,0]=3 18671 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011214892_100000211819 [0,2,0,0,0,0|1,0,1]=4 18672 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011219923_100011214892 [0,2,0,0,0,0|1,0,1]=4 18673 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,2,0,0,0,0|0,0,2]=4 18674 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,2,0,0,0,0|0,0,2]=4 18675 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [0,2,0,0,0,0|1,0,0]=3 18676 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [0,2,0,0,0,0|1,0,0]=3 18677 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,2,0,0,0,0|0,0,0]=2 18678 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,2,0,0,0,0|0,0,0]=2 18679 B12R0.234 CC(C)CCCSCCOCCO 62a_100011214892_100011215305 [0,2,0,0,0,0|1,0,0]=3 18680 B12R0.234 CC(C)CCCSCCOCCO 62a_100011215305_100011214892 [0,2,0,0,0,0|1,0,0]=3 18681 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,2,0,0,0,0|0,0,0]=2 18682 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,2,0,0,0,0|0,0,0]=2 18683 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,2,0,0,0,0|0,0,0]=2 18684 B12R0.234 CC(C)CCOCCCCCC#N 7a_100000210254_100009813376 [0,2,0,0,0,0|1,0,1]=4 18685 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,2,0,0,0,0|0,0,2]=4 18686 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [0,2,0,0,0,0|1,0,0]=3 18687 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [0,2,0,0,0,0|1,0,0]=3 18688 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [0,2,0,0,0,0|1,0,0]=3 18689 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [0,2,0,0,0,0|1,0,0]=3 18690 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [0,2,0,0,0,0|1,0,0]=3 18691 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [0,2,0,0,0,0|1,0,0]=3 18692 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [0,2,0,0,0,0|1,0,0]=3 18693 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [0,2,0,0,0,0|1,0,0]=3 18694 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,2,0,0,0,0|1,0,0]=3 18695 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,2,0,0,0,0|0,0,0]=2 18696 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,2,0,0,0,0|0,0,0]=2 18697 B12R0.234 CC(C)CCSCCCCCC#N 62a_100000210312_100009813376 [0,2,0,0,0,0|1,0,1]=4 18698 B12R0.234 CC(C)CCSCCCCCC#N 62a_100009813376_100000210312 [0,2,0,0,0,0|1,0,1]=4 18699 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,2,0,0,0,0|0,0,2]=4 18700 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,2,0,0,0,0|0,0,2]=4 18701 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [0,2,0,0,0,0|1,0,0]=3 18702 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [0,2,0,0,0,0|1,0,0]=3 18703 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,2,0,0,0,0|0,0,0]=2 18704 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,2,0,0,0,0|0,0,0]=2 18705 B12R0.234 CC(C)CNCCCCCCC#N 2230a_100000210953_100009813337 [0,2,0,0,0,0|1,0,1]=4 18706 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,2,0,0,0,0|0,0,0]=2 18707 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,2,0,0,0,0|0,0,0]=2 18708 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,2,0,0,0,0|0,0,0]=2 18709 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,2,0,0,0,0|0,0,0]=2 18710 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,2,0,0,0,0|0,0,0]=2 18711 B12R0.234 CC(C)CNCCCOCCCO 2230a_100011310245_100000210760 [0,2,0,0,0,0|1,0,0]=3 18712 B12R0.234 CC(C)CNCCCOCCCO 270004a_100011310245_100000210432 [0,2,0,0,0,0|1,0,0]=3 18713 B12R0.234 CC(C)CNCCCOCCCO 34a_100011310245_100000210624 [0,2,0,0,0,0|1,0,0]=3 18714 B12R0.234 CC(C)CNCCOCCCCF 34a_100015185251_100000729493 [0,2,0,0,0,0|2,0,0]=4 18715 B12R0.234 CC(C)CNCCOCCCCO 34a_100015185251_100011216708 [0,2,0,0,0,0|1,0,0]=3 18716 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,2,0,0,0,0|1,0,0]=3 18717 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,2,0,0,0,0|1,0,0]=3 18718 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,2,0,0,0,0|1,0,0]=3 18719 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,2,0,0,0,0|0,0,0]=2 18720 B12R0.234 CC(C)COCCCNCCCF 2230a_100000205972_100011934791 [0,2,0,0,0,0|2,0,0]=4 18721 B12R0.234 CC(C)COCCCNCCCF 34a_100000205972_100011934791 [0,2,0,0,0,0|2,0,0]=4 18722 B12R0.234 CC(C)COCCCNCCCO 2230a_100000205972_100000230001 [0,2,0,0,0,0|1,0,0]=3 18723 B12R0.234 CC(C)COCCCNCCCO 34a_100000205972_100000230001 [0,2,0,0,0,0|1,0,0]=3 18724 B12R0.234 CC(C)COCCCOCCCN 34a_100011310245_100000210624 [0,2,0,0,0,0|2,0,0]=4 18725 B12R0.234 CC(C)COCCOCCCCF 34a_100000703358_100000729493 [0,2,0,0,0,0|2,0,0]=4 18726 B12R0.234 CC(C)COCCOCCCCF 7a_100000703358_100000729493 [0,2,0,0,0,0|2,0,0]=4 18727 B12R0.234 CC(C)COCCOCCCCO 34a_100000703358_100011216708 [0,2,0,0,0,0|1,0,0]=3 18728 B12R0.234 CC(C)COCCOCCCCO 7a_100000703358_100000210776 [0,2,0,0,0,0|1,0,0]=3 18729 B12R0.234 CC(C)CSCCCCCCC#N 62a_100000210624_100009813337 [0,2,0,0,0,0|1,0,1]=4 18730 B12R0.234 CC(C)CSCCCCCCC#N 62a_100009813337_100000210760 [0,2,0,0,0,0|1,0,1]=4 18731 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,2,0,0,0,0|0,0,0]=2 18732 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,2,0,0,0,0|0,0,0]=2 18733 B12R0.234 CC(C)CSCCOCCCCF 34a_200000230437_100000729493 [0,2,0,0,0,0|2,0,0]=4 18734 B12R0.234 CC(C)CSCCOCCCCF 7a_200000230437_100000729493 [0,2,0,0,0,0|2,0,0]=4 18735 B12R0.234 CC(C)CSCCOCCCCO 34a_200000230437_100011216708 [0,2,0,0,0,0|1,0,0]=3 18736 B12R0.234 CC(C)CSCCOCCCCO 7a_200000230437_100000210776 [0,2,0,0,0,0|1,0,0]=3 18737 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,2,0,0,0,0|0,0,0]=2 18738 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,2,0,0,0,0|0,0,0]=2 18739 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,2,0,0,0,0|0,0,0]=2 18740 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,2,0,0,0,0|0,0,0]=2 18741 B12R0.234 CC(C)NCCCCCOCCF 34a_100011629493_100011217306 [0,2,0,0,0,0|2,0,0]=4 18742 B12R0.234 CC(C)NCCCCCOCCO 34a_100011629493_100000211926 [0,2,0,0,0,0|1,0,0]=3 18743 B12R0.234 CC(C)NCCCCOCCCF 34a_100011521146_100011934791 [0,2,0,0,0,0|2,0,0]=4 18744 B12R0.234 CC(C)NCCCCOCCCO 34a_100011521146_100000230001 [0,2,0,0,0,0|1,0,0]=3 18745 B12R0.234 CC(C)NCCCOCCCCF 34a_100000182298_100000729493 [0,2,0,0,0,0|2,0,0]=4 18746 B12R0.234 CC(C)NCCCOCCCCO 34a_100000182298_100011216708 [0,2,0,0,0,0|1,0,0]=3 18747 B12R0.234 CC(C)NCCOCCCCCF 34a_100000224655_100000729378 [0,2,0,0,0,0|2,0,0]=4 18748 B12R0.234 CC(C)NCCOCCCCCO 34a_100000224655_100000746330 [0,2,0,0,0,0|1,0,0]=3 18749 B12R0.234 CC(C)NCCOCCOCCO 2230a_100011998139_100000210206 [0,2,0,0,0,0|2,0,0]=4 18750 B12R0.234 CC(C)NCCOCCOCCO 2230a_100138425928_100000032323 [0,2,0,0,0,0|2,0,0]=4 18751 B12R0.234 CC(C)NCCOCCOCCO 34a_100000224655_100000692535 [0,2,0,0,0,0|2,0,0]=4 18752 B12R0.234 CC(C)NCCOCCOCCO 34a_100011998139_100000210206 [0,2,0,0,0,0|2,0,0]=4 18753 B12R0.234 CC(C)NCCOCCOCCO 34a_100138425928_100000032323 [0,2,0,0,0,0|2,0,0]=4 18754 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,2,0,0,0,0|1,0,0]=3 18755 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,2,0,0,0,0|1,0,0]=3 18756 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,2,0,0,0,0|1,0,0]=3 18757 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,2,0,0,0,0|1,0,0]=3 18758 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,2,0,0,0,0|1,0,0]=3 18759 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,2,0,0,0,0|0,0,0]=2 18760 B12R0.234 CC(C)OCCCCCNCCN 34a_103619048469_100000210206 [0,2,0,0,0,0|2,0,0]=4 18761 B12R0.234 CC(C)OCCCNCCCCF 2230a_100000737246_100000729493 [0,2,0,0,0,0|2,0,0]=4 18762 B12R0.234 CC(C)OCCCNCCCCF 34a_100000737246_100000729493 [0,2,0,0,0,0|2,0,0]=4 18763 B12R0.234 CC(C)OCCCNCCCCO 2230a_100000737246_100000210776 [0,2,0,0,0,0|1,0,0]=3 18764 B12R0.234 CC(C)OCCCNCCCCO 34a_100000737246_100011216708 [0,2,0,0,0,0|1,0,0]=3 18765 B12R0.234 CC(C)OCCNCCCCCF 2230a_100000701111_100000729378 [0,2,0,0,0,0|2,0,0]=4 18766 B12R0.234 CC(C)OCCNCCCCCF 34a_100000701111_100000729378 [0,2,0,0,0,0|2,0,0]=4 18767 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000701111_100000746330 [0,2,0,0,0,0|1,0,0]=3 18768 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000762737_100000211751 [0,2,0,0,0,0|1,0,0]=3 18769 B12R0.234 CC(C)OCCNCCCCCO 34a_100000701111_100000746330 [0,2,0,0,0,0|1,0,0]=3 18770 B12R0.234 CC(C)OCCNCCCCCO 34a_100000762737_100000211751 [0,2,0,0,0,0|1,0,0]=3 18771 B12R0.234 CC(C)OCCNCCOCCO 2230a_100000211614_100000211751 [0,2,0,0,0,0|2,0,0]=4 18772 B12R0.234 CC(C)OCCNCCOCCO 2230a_100000701111_100011215305 [0,2,0,0,0,0|2,0,0]=4 18773 B12R0.234 CC(C)OCCNCCOCCO 34a_100000211614_100000211751 [0,2,0,0,0,0|2,0,0]=4 18774 B12R0.234 CC(C)OCCNCCOCCO 34a_100000701111_100000692535 [0,2,0,0,0,0|2,0,0]=4 18775 B12R0.234 CC(C)OCCNCCSCCO 2230a_100011219999_100000211751 [0,2,0,0,0,0|2,0,0]=4 18776 B12R0.234 CC(C)OCCOCCCCCBr 34a_100000746331_100000211751 [0,2,0,0,0,0|2,0,0]=4 18777 B12R0.234 CC(C)OCCOCCCCCBr 7a_100000746331_100000211751 [0,2,0,0,0,0|2,0,0]=4 18778 B12R0.234 CC(C)OCCOCCCCCCl 34a_100000746330_100000211751 [0,2,0,0,0,0|2,0,0]=4 18779 B12R0.234 CC(C)OCCOCCCCCCl 7a_100000746330_100000211751 [0,2,0,0,0,0|2,0,0]=4 18780 B12R0.234 CC(C)OCCOCCCCCF 34a_100000211219_100000729378 [0,2,0,0,0,0|2,0,0]=4 18781 B12R0.234 CC(C)OCCOCCCCCF 7a_100000211219_100000729378 [0,2,0,0,0,0|2,0,0]=4 18782 B12R0.234 CC(C)OCCOCCCCCI 34a_200012148887_100000211751 [0,2,0,0,0,0|2,0,0]=4 18783 B12R0.234 CC(C)OCCOCCCCCI 7a_200012148887_100000211751 [0,2,0,0,0,0|2,0,0]=4 18784 B12R0.234 CC(C)OCCOCCCCCN 34a_100000762737_100000211751 [0,2,0,0,0,0|2,0,0]=4 18785 B12R0.234 CC(C)OCCOCCCCCO 34a_100000211219_100000746330 [0,2,0,0,0,0|1,0,0]=3 18786 B12R0.234 CC(C)OCCOCCCCCO 7a_100000211219_100000746330 [0,2,0,0,0,0|1,0,0]=3 18787 B12R0.234 CC(C)OCCOCCOCCO 34a_100000211219_100000692535 [0,2,0,0,0,0|2,0,0]=4 18788 B12R0.234 CC(C)OCCOCCOCCO 34a_100000212225_100000032323 [0,2,0,0,0,0|2,0,0]=4 18789 B12R0.234 CC(C)OCCOCCOCCO 7a_100000211219_100011215305 [0,2,0,0,0,0|2,0,0]=4 18790 B12R0.234 CC(C)OCCSCCCCCF 62a_100000211751_100000729378 [0,2,0,0,0,0|2,0,0]=4 18791 B12R0.234 CC(C)OCCSCCCCCF 62a_100000729378_100000211751 [0,2,0,0,0,0|2,0,0]=4 18792 B12R0.234 CC(C)OCCSCCCCCO 62a_100000211751_100000746330 [0,2,0,0,0,0|1,0,0]=3 18793 B12R0.234 CC(C)OCCSCCCCCO 62a_100000746330_100000211751 [0,2,0,0,0,0|1,0,0]=3 18794 B12R0.234 CC(C)OCCSCCOCCO 62a_100000211751_100011215305 [0,2,0,0,0,0|2,0,0]=4 18795 B12R0.234 CC(C)OCCSCCOCCO 62a_100011215305_100000211751 [0,2,0,0,0,0|2,0,0]=4 18796 B12R0.234 CC(C)OCNCCCCCCO 2230a_100000686447_100000709892 [0,2,0,0,0,0|1,0,0]=3 18797 B12R0.234 CC(C)OCNCCCCCCO 34a_100000686447_100000709892 [0,2,0,0,0,0|1,0,0]=3 18798 B12R0.234 CC(C)OCOCCCCCCBr 34a_100011215345_100000709892 [0,2,0,0,0,0|2,0,0]=4 18799 B12R0.234 CC(C)OCOCCCCCCCl 34a_100000766143_100000709892 [0,2,0,0,0,0|2,0,0]=4 18800 B12R0.234 CC(C)OCOCCCCCCF 34a_100000732779_100000709892 [0,2,0,0,0,0|2,0,0]=4 18801 B12R0.234 CC(C)OCOCCCCCCN 34a_100000686447_100000709892 [0,2,0,0,0,0|2,0,0]=4 18802 B12R0.234 CC(C)OCSCCCCCCF 62a_100000709892_100015922095 [0,2,0,0,0,0|2,0,0]=4 18803 B12R0.234 CC(C)OCSCCCCCCF 62a_100015922095_100000709892 [0,2,0,0,0,0|2,0,0]=4 18804 B12R0.234 CC(C)OCSCCCCCCO 62a_100000709892_100000766143 [0,2,0,0,0,0|1,0,0]=3 18805 B12R0.234 CC(C)OCSCCCCCCO 62a_100000766143_100000709892 [0,2,0,0,0,0|1,0,0]=3 18806 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,2,0,0,0,0|0,0,0]=2 18807 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,2,0,0,0,0|0,0,0]=2 18808 B12R0.234 CC(C)SCCNCCCCCF 2230a_100000731138_100000729378 [0,2,0,0,0,0|2,0,0]=4 18809 B12R0.234 CC(C)SCCNCCCCCF 34a_100000731138_100000729378 [0,2,0,0,0,0|2,0,0]=4 18810 B12R0.234 CC(C)SCCNCCCCCO 2230a_100000731138_100000746330 [0,2,0,0,0,0|1,0,0]=3 18811 B12R0.234 CC(C)SCCNCCCCCO 2230a_100000762737_100000730970 [0,2,0,0,0,0|1,0,0]=3 18812 B12R0.234 CC(C)SCCNCCCCCO 34a_100000731138_100000746330 [0,2,0,0,0,0|1,0,0]=3 18813 B12R0.234 CC(C)SCCNCCCCCO 34a_100000762737_100000730970 [0,2,0,0,0,0|1,0,0]=3 18814 B12R0.234 CC(C)SCCNCCOCCO 2230a_100000211614_100000730970 [0,2,0,0,0,0|2,0,0]=4 18815 B12R0.234 CC(C)SCCNCCOCCO 2230a_100000731138_100011215305 [0,2,0,0,0,0|2,0,0]=4 18816 B12R0.234 CC(C)SCCNCCOCCO 34a_100000211614_100000730970 [0,2,0,0,0,0|2,0,0]=4 18817 B12R0.234 CC(C)SCCNCCOCCO 34a_100000731138_100000692535 [0,2,0,0,0,0|2,0,0]=4 18818 B12R0.234 CC(C)SCCNCCSCCO 2230a_100011219999_100000730970 [0,2,0,0,0,0|2,0,0]=4 18819 B12R0.234 CC(C)SCCOCCCCCBr 34a_100000746331_100000730970 [0,2,0,0,0,0|2,0,0]=4 18820 B12R0.234 CC(C)SCCOCCCCCBr 7a_100000746331_100000730970 [0,2,0,0,0,0|2,0,0]=4 18821 B12R0.234 CC(C)SCCOCCCCCCl 34a_100000746330_100000730970 [0,2,0,0,0,0|2,0,0]=4 18822 B12R0.234 CC(C)SCCOCCCCCCl 7a_100000746330_100000730970 [0,2,0,0,0,0|2,0,0]=4 18823 B12R0.234 CC(C)SCCOCCCCCF 34a_200011212901_100000729378 [0,2,0,0,0,0|2,0,0]=4 18824 B12R0.234 CC(C)SCCOCCCCCF 7a_200011212901_100000729378 [0,2,0,0,0,0|2,0,0]=4 18825 B12R0.234 CC(C)SCCOCCCCCI 34a_200012148887_100000730970 [0,2,0,0,0,0|2,0,0]=4 18826 B12R0.234 CC(C)SCCOCCCCCI 7a_200012148887_100000730970 [0,2,0,0,0,0|2,0,0]=4 18827 B12R0.234 CC(C)SCCOCCCCCN 34a_100000762737_100000730970 [0,2,0,0,0,0|2,0,0]=4 18828 B12R0.234 CC(C)SCCOCCCCCO 34a_200011212901_100000746330 [0,2,0,0,0,0|1,0,0]=3 18829 B12R0.234 CC(C)SCCOCCCCCO 7a_200011212901_100000746330 [0,2,0,0,0,0|1,0,0]=3 18830 B12R0.234 CC(C)SCCOCCOCCO 34a_200011212901_100000692535 [0,2,0,0,0,0|2,0,0]=4 18831 B12R0.234 CC(C)SCCOCCOCCO 62a_100000032323_100000210206 [0,2,0,0,0,0|2,0,0]=4 18832 B12R0.234 CC(C)SCCOCCOCCO 62a_100000210206_100000032323 [0,2,0,0,0,0|2,0,0]=4 18833 B12R0.234 CC(C)SCCOCCOCCO 7a_200011212901_100011215305 [0,2,0,0,0,0|2,0,0]=4 18834 B12R0.234 CC(C)SCCSCCCCCF 62a_100000729378_100000730970 [0,2,0,0,0,0|2,0,0]=4 18835 B12R0.234 CC(C)SCCSCCCCCF 62a_100000730970_100000729378 [0,2,0,0,0,0|2,0,0]=4 18836 B12R0.234 CC(C)SCCSCCCCCO 62a_100000730970_100000746330 [0,2,0,0,0,0|1,0,0]=3 18837 B12R0.234 CC(C)SCCSCCCCCO 62a_100000746330_100000730970 [0,2,0,0,0,0|1,0,0]=3 18838 B12R0.234 CC(C)SCCSCCOCCO 62a_100000730970_100011215305 [0,2,0,0,0,0|2,0,0]=4 18839 B12R0.234 CC(C)SCCSCCOCCO 62a_100011215305_100000730970 [0,2,0,0,0,0|2,0,0]=4 18840 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,2,0,0,0,0|0,0,0]=2 18841 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,2,0,0,0,0|0,0,0]=2 18842 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,2,0,0,0,0|0,0,0]=2 18843 B12R0.234 CC(O)CCCNCCOCCO 2230a_100000211614_200000718107 [0,2,0,0,0,0|1,0,0]=3 18844 B12R0.234 CC(O)CCCNCCOCCO 34a_100000211614_200000718107 [0,2,0,0,0,0|1,0,0]=3 18845 B12R0.234 CC(O)CCCNCCSCCO 2230a_100011219999_200000718107 [0,2,0,0,0,0|1,0,0]=3 18846 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,2,0,0,0,0|1,0,0]=3 18847 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,2,0,0,0,0|1,0,0]=3 18848 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,2,0,0,0,0|1,0,0]=3 18849 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,2,0,0,0,0|1,0,0]=3 18850 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,2,0,0,0,0|1,0,0]=3 18851 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,2,0,0,0,0|1,0,0]=3 18852 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,2,0,0,0,0|1,0,0]=3 18853 B12R0.234 CC(O)CCCOCCOCCBr 34a_100000692535_200000718107 [0,2,0,0,0,0|2,0,0]=4 18854 B12R0.234 CC(O)CCCOCCOCCBr 7a_100000692535_200000718107 [0,2,0,0,0,0|2,0,0]=4 18855 B12R0.234 CC(O)CCCOCCOCCCl 34a_100011215305_200000718107 [0,2,0,0,0,0|2,0,0]=4 18856 B12R0.234 CC(O)CCCOCCOCCCl 7a_100011215305_200000718107 [0,2,0,0,0,0|2,0,0]=4 18857 B12R0.234 CC(O)CCCOCCOCCF 34a_200015357709_200000718107 [0,2,0,0,0,0|2,0,0]=4 18858 B12R0.234 CC(O)CCCOCCOCCF 7a_200015357709_200000718107 [0,2,0,0,0,0|2,0,0]=4 18859 B12R0.234 CC(O)CCCOCCOCCI 34a_100012149058_200000718107 [0,2,0,0,0,0|2,0,0]=4 18860 B12R0.234 CC(O)CCCOCCOCCI 7a_100012149058_200000718107 [0,2,0,0,0,0|2,0,0]=4 18861 B12R0.234 CC(O)CCCOCCOCCN 34a_100000211614_200000718107 [0,2,0,0,0,0|2,0,0]=4 18862 B12R0.234 CC(O)CCCSCCCCC#N 62a_100011219923_200000718107 [0,2,0,0,0,0|1,0,1]=4 18863 B12R0.234 CC(O)CCCSCCCCC#N 62a_200000718107_100000211819 [0,2,0,0,0,0|1,0,1]=4 18864 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,2,0,0,0,0|0,0,2]=4 18865 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,2,0,0,0,0|0,0,2]=4 18866 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,2,0,0,0,0|1,0,0]=3 18867 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,2,0,0,0,0|1,0,0]=3 18868 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,2,0,0,0,0|0,0,0]=2 18869 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,2,0,0,0,0|0,0,0]=2 18870 B12R0.234 CC(O)CCCSCCOCCO 62a_100011215305_200000718107 [0,2,0,0,0,0|1,0,0]=3 18871 B12R0.234 CC(O)CCCSCCOCCO 62a_200000718107_100011215305 [0,2,0,0,0,0|1,0,0]=3 18872 B12R0.234 CC(O)CCNCCCCCC#N 2230a_200000755665_100009813376 [0,2,0,0,0,0|1,0,1]=4 18873 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,2,0,0,0,0|0,0,2]=4 18874 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,2,0,0,0,0|1,0,0]=3 18875 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,2,0,0,0,0|0,0,0]=2 18876 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,2,0,0,0,0|0,0,0]=2 18877 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,2,0,0,0,0|0,0,0]=2 18878 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,2,0,0,0,0|1,0,0]=3 18879 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,2,0,0,0,0|1,0,0]=3 18880 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,2,0,0,0,0|1,0,0]=3 18881 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,2,0,0,0,0|1,0,0]=3 18882 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,2,0,0,0,0|1,0,0]=3 18883 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,2,0,0,0,0|1,0,0]=3 18884 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,2,0,0,0,0|1,0,0]=3 18885 B12R0.234 CC(O)CCSCCCCCC#N 62a_100009813376_100012276601 [0,2,0,0,0,0|1,0,1]=4 18886 B12R0.234 CC(O)CCSCCCCCC#N 62a_100012276601_100009813376 [0,2,0,0,0,0|1,0,1]=4 18887 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,2,0,0,0,0|0,0,2]=4 18888 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,2,0,0,0,0|0,0,2]=4 18889 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,2,0,0,0,0|1,0,0]=3 18890 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,2,0,0,0,0|1,0,0]=3 18891 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,2,0,0,0,0|0,0,0]=2 18892 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,2,0,0,0,0|0,0,0]=2 18893 B12R0.234 CC(O)CNCCCCCCC#N 2230a_100000210904_100009813337 [0,2,0,0,0,0|1,0,1]=4 18894 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,2,0,0,0,0|0,0,0]=2 18895 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,2,0,0,0,0|0,0,0]=2 18896 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,2,0,0,0,0|0,0,0]=2 18897 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,2,0,0,0,0|0,0,0]=2 18898 B12R0.234 CC(O)CNCCCOCCCO 2230a_100011310245_100011218427 [0,2,0,0,0,0|1,0,0]=3 18899 B12R0.234 CC(O)CNCCCOCCCO 34a_100011310245_100011218427 [0,2,0,0,0,0|1,0,0]=3 18900 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,2,0,0,0,0|1,0,0]=3 18901 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,2,0,0,0,0|1,0,0]=3 18902 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,2,0,0,0,0|1,0,0]=3 18903 B12R0.234 CC(O)COCCCOCCCN 34a_100011310245_100011218427 [0,2,0,0,0,0|2,0,0]=4 18904 B12R0.234 CC(O)CSCCCCCCC#N 62a_100009813337_100011218427 [0,2,0,0,0,0|1,0,1]=4 18905 B12R0.234 CC(O)CSCCCCCCC#N 62a_100011218427_100009813337 [0,2,0,0,0,0|1,0,1]=4 18906 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,2,0,0,0,0|0,0,0]=2 18907 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,2,0,0,0,0|0,0,0]=2 18908 B12R0.234 CC/C=C/CCCOCCC(C)O 34a_100016287902_100012276601 [0,2,0,0,0,0|0,0,2]=4 18909 B12R0.234 CC/C=C/CCCOCCC(C)O 7a_100016287902_100012276601 [0,2,0,0,0,0|0,0,2]=4 18910 B12R0.234 CC/C=C\CCCCOCC(C)O 34a_100016287862_100011218427 [0,2,0,0,0,0|0,0,2]=4 18911 B12R0.234 CC/C=C\CCCCOCC(C)O 7a_100016287862_100011218427 [0,2,0,0,0,0|0,0,2]=4 18912 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 34a_100016287862_100009817552 [0,2,0,0,0,0|0,0,2]=4 18913 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 7a_100016287862_100009817552 [0,2,0,0,0,0|0,0,2]=4 18914 B12R0.234 CC/C=C\CCOCCCC(C)O 34a_100016288707_200000718107 [0,2,0,0,0,0|0,0,2]=4 18915 B12R0.234 CC/C=C\CCOCCCC(C)O 7a_100016288707_200000718107 [0,2,0,0,0,0|0,0,2]=4 18916 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_100015370543_200000718107 [0,2,0,0,0,0|0,0,2]=4 18917 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_200000718107_100015370543 [0,2,0,0,0,0|0,0,2]=4 18918 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,2,0,0,0,0|0,0,2]=4 18919 B12R0.234 CCC#CCCOCCCC(C)O 34a_100000036655_200000718107 [0,2,0,0,0,0|0,0,2]=4 18920 B12R0.234 CCC#CCCOCCCC(C)O 7a_100000036655_200000718107 [0,2,0,0,0,0|0,0,2]=4 18921 B12R0.234 CCC/C=C/COCCCC(C)O 34a_100016278788_200000718107 [0,2,0,0,0,0|0,0,2]=4 18922 B12R0.234 CCC/C=C/COCCCC(C)O 7a_100016278788_200000718107 [0,2,0,0,0,0|0,0,2]=4 18923 B12R0.234 CCCC#CCCOCCC(C)O 34a_100000042726_100012276601 [0,2,0,0,0,0|0,0,2]=4 18924 B12R0.234 CCCC#CCCOCCC(C)O 7a_100000042726_100012276601 [0,2,0,0,0,0|0,0,2]=4 18925 B12R0.234 CCCC#CCOCCCC(C)O 34a_100000034806_200000718107 [0,2,0,0,0,0|0,0,2]=4 18926 B12R0.234 CCCC#CCOCCCC(C)O 7a_100000034806_200000718107 [0,2,0,0,0,0|0,0,2]=4 18927 B12R0.234 CCCC/C=C/COCCC(C)O 34a_200016272032_100012276601 [0,2,0,0,0,0|0,0,2]=4 18928 B12R0.234 CCCC/C=C/COCCC(C)O 7a_200016272032_100012276601 [0,2,0,0,0,0|0,0,2]=4 18929 B12R0.234 CCCC/C=C\CCOCC(C)O 34a_200016286491_100011218427 [0,2,0,0,0,0|0,0,2]=4 18930 B12R0.234 CCCC/C=C\CCOCC(C)O 7a_200016286491_100011218427 [0,2,0,0,0,0|0,0,2]=4 18931 B12R0.234 CCCC/C=C\CCOC[C@@H](C)O 34a_200016286491_100009817552 [0,2,0,0,0,0|0,0,2]=4 18932 B12R0.234 CCCC/C=C\CCOC[C@@H](C)O 7a_200016286491_100009817552 [0,2,0,0,0,0|0,0,2]=4 18933 B12R0.234 CCCCC#CCCOCC(C)O 34a_100000037610_100011218427 [0,2,0,0,0,0|0,0,2]=4 18934 B12R0.234 CCCCC#CCCOCC(C)O 7a_100000037610_100011218427 [0,2,0,0,0,0|0,0,2]=4 18935 B12R0.234 CCCCC#CCCOC[C@@H](C)O 34a_100000037610_100009817552 [0,2,0,0,0,0|0,0,2]=4 18936 B12R0.234 CCCCC#CCCOC[C@@H](C)O 7a_100000037610_100009817552 [0,2,0,0,0,0|0,0,2]=4 18937 B12R0.234 CCCCC#CCOCCC(C)O 34a_200000034558_100012276601 [0,2,0,0,0,0|0,0,2]=4 18938 B12R0.234 CCCCC#CCOCCC(C)O 7a_200000034558_100012276601 [0,2,0,0,0,0|0,0,2]=4 18939 B12R0.234 CCCCC/C=C/COCC(C)O 34a_100016258190_100011218427 [0,2,0,0,0,0|0,0,2]=4 18940 B12R0.234 CCCCC/C=C/COCC(C)O 7a_100016258190_100011218427 [0,2,0,0,0,0|0,0,2]=4 18941 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 34a_100016258190_100009817552 [0,2,0,0,0,0|0,0,2]=4 18942 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 7a_100016258190_100009817552 [0,2,0,0,0,0|0,0,2]=4 18943 B12R0.234 CCCCCC#CCNCC(C)O 2230a_100000210904_100009816472 [0,2,0,0,0,0|0,0,2]=4 18944 B12R0.234 CCCCCC#CCNCC(C)O 34a_100000210904_100009816472 [0,2,0,0,0,0|0,0,2]=4 18945 B12R0.234 CCCCCC#CCOCC(C)O 34a_200000033628_100011218427 [0,2,0,0,0,0|0,0,2]=4 18946 B12R0.234 CCCCCC#CCOCC(C)O 7a_200000033628_100011218427 [0,2,0,0,0,0|0,0,2]=4 18947 B12R0.234 CCCCCC#CCOC[C@@H](C)O 34a_200000033628_100009817552 [0,2,0,0,0,0|0,0,2]=4 18948 B12R0.234 CCCCCC#CCOC[C@@H](C)O 7a_200000033628_100009817552 [0,2,0,0,0,0|0,0,2]=4 18949 B12R0.234 CCCCCC#CCSCC(C)O 62a_100009816472_100011218427 [0,2,0,0,0,0|0,0,2]=4 18950 B12R0.234 CCCCCC#CCSCC(C)O 62a_100011218427_100009816472 [0,2,0,0,0,0|0,0,2]=4 18951 B12R0.234 CCCCCC#CCSC[C@@H](C)O 62a_100009816472_100009817552 [0,2,0,0,0,0|0,0,2]=4 18952 B12R0.234 CCCCCC#CCSC[C@@H](C)O 62a_100009817552_100009816472 [0,2,0,0,0,0|0,0,2]=4 18953 B12R0.234 CCCCCCC=NNCC(C)O 4a_200000730056_100000234349 [0,2,0,0,0,0|1,0,1]=4 18954 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,2,0,0,0,0|0,0,1]=3 18955 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,2,0,0,0,0|0,0,1]=3 18956 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,2,0,0,0,0|0,0,1]=3 18957 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,2,0,0,0,0|1,0,0]=3 18958 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,2,0,0,0,0|1,0,0]=3 18959 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,2,0,0,0,0|1,0,0]=3 18960 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,2,0,0,0,0|1,0,0]=3 18961 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,2,0,0,0,0|1,0,0]=3 18962 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,2,0,0,0,0|1,0,0]=3 18963 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,2,0,0,0,0|0,0,2]=4 18964 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,2,0,0,0,0|0,0,2]=4 18965 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,2,0,0,0,0|0,0,2]=4 18966 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,2,0,0,0,0|0,0,2]=4 18967 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,2,0,0,0,0|1,0,0]=3 18968 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,2,0,0,0,0|1,0,0]=3 18969 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,2,0,0,0,0|1,0,0]=3 18970 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,2,0,0,0,0|1,0,0]=3 18971 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,2,0,0,0,0|1,0,0]=3 18972 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,2,0,0,0,0|1,0,0]=3 18973 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,2,0,0,0,0|1,0,0]=3 18974 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,2,0,0,0,0|1,0,0]=3 18975 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,2,0,0,0,0|0,0,2]=4 18976 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,2,0,0,0,0|0,0,2]=4 18977 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,2,0,0,0,0|0,0,2]=4 18978 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,2,0,0,0,0|0,0,1]=3 18979 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,2,0,0,0,0|0,0,2]=4 18980 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,2,0,0,0,0|1,0,0]=3 18981 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,2,0,0,0,0|1,0,0]=3 18982 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,2,0,0,0,0|1,0,0]=3 18983 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,2,0,0,0,0|1,0,0]=3 18984 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,2,0,0,0,0|1,0,0]=3 18985 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,2,0,0,0,0|0,0,0]=2 18986 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,2,0,0,0,0|0,0,0]=2 18987 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,2,0,0,0,0|0,0,0]=2 18988 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,2,0,0,0,0|0,0,0]=2 18989 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,2,0,0,0,0|1,0,0]=3 18990 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,2,0,0,0,0|1,0,0]=3 18991 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,2,0,0,0,0|1,0,0]=3 18992 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,2,0,0,0,0|0,0,0]=2 18993 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,2,0,0,0,0|0,0,0]=2 18994 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,2,0,0,0,0|1,0,1]=4 18995 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,2,0,0,0,0|0,0,2]=4 18996 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,2,0,0,0,0|0,0,2]=4 18997 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,2,0,0,0,0|0,0,2]=4 18998 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,2,0,0,0,0|0,0,2]=4 18999 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,2,0,0,0,0|0,0,2]=4 19000 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,2,0,0,0,0|0,0,2]=4 19001 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,2,0,0,0,0|1,0,0]=3 19002 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,2,0,0,0,0|1,0,0]=3 19003 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,2,0,0,0,0|1,0,0]=3 19004 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,2,0,0,0,0|1,0,0]=3 19005 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,2,0,0,0,0|1,0,0]=3 19006 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,2,0,0,0,0|0,0,0]=2 19007 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,2,0,0,0,0|0,0,0]=2 19008 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,2,0,0,0,0|1,0,0]=3 19009 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,2,0,0,0,0|1,0,0]=3 19010 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,2,0,0,0,0|1,0,0]=3 19011 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,2,0,0,0,0|1,0,0]=3 19012 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,2,0,0,0,0|1,0,0]=3 19013 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,2,0,0,0,0|0,0,0]=2 19014 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,2,0,0,0,0|0,0,0]=2 19015 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,2,0,0,0,0|1,0,1]=4 19016 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,2,0,0,0,0|0,0,2]=4 19017 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,2,0,0,0,0|0,0,2]=4 19018 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,2,0,0,0,0|0,0,2]=4 19019 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,2,0,0,0,0|0,0,2]=4 19020 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,2,0,0,0,0|1,0,0]=3 19021 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,2,0,0,0,0|1,0,0]=3 19022 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,2,0,0,0,0|0,0,0]=2 19023 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,2,0,0,0,0|0,0,0]=2 19024 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,2,0,0,0,0|1,0,0]=3 19025 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,2,0,0,0,0|1,0,0]=3 19026 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,2,0,0,0,0|0,0,0]=2 19027 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,2,0,0,0,0|0,0,0]=2 19028 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,2,0,0,0,0|1,0,1]=4 19029 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,2,0,0,0,0|0,0,2]=4 19030 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,2,0,0,0,0|1,0,0]=3 19031 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,2,0,0,0,0|1,0,0]=3 19032 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,2,0,0,0,0|0,0,0]=2 19033 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,2,0,0,0,0|0,0,0]=2 19034 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [0,2,0,0,0,0|2,0,0]=4 19035 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,2,0,0,0,0|1,0,1]=4 19036 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,2,0,0,0,0|0,0,2]=4 19037 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,2,0,0,0,0|0,0,2]=4 19038 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,2,0,0,0,0|0,0,2]=4 19039 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,2,0,0,0,0|0,0,2]=4 19040 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,2,0,0,0,0|0,0,2]=4 19041 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,2,0,0,0,0|0,0,2]=4 19042 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,2,0,0,0,0|0,0,2]=4 19043 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,2,0,0,0,0|1,0,0]=3 19044 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,2,0,0,0,0|1,0,0]=3 19045 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,2,0,0,0,0|1,0,0]=3 19046 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,2,0,0,0,0|1,0,0]=3 19047 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,2,0,0,0,0|1,0,0]=3 19048 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,2,0,0,0,0|0,0,0]=2 19049 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,2,0,0,0,0|0,0,0]=2 19050 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,2,0,0,0,0|1,0,0]=3 19051 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,2,0,0,0,0|2,0,0]=4 19052 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,2,0,0,0,0|1,0,0]=3 19053 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [0,2,0,0,0,0|2,0,0]=4 19054 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,2,0,0,0,0|0,0,2]=4 19055 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,2,0,0,0,0|0,0,2]=4 19056 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,2,0,0,0,0|0,0,2]=4 19057 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,2,0,0,0,0|0,0,2]=4 19058 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,2,0,0,0,0|1,0,0]=3 19059 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,2,0,0,0,0|1,0,0]=3 19060 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,2,0,0,0,0|0,0,0]=2 19061 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,2,0,0,0,0|0,0,0]=2 19062 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,2,0,0,0,0|2,0,0]=4 19063 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [0,2,0,0,0,0|2,0,0]=4 19064 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [0,2,0,0,0,0|2,0,0]=4 19065 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,2,0,0,0,0|0,0,2]=4 19066 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,2,0,0,0,0|1,0,0]=3 19067 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,2,0,0,0,0|1,0,0]=3 19068 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,2,0,0,0,0|1,0,0]=3 19069 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,2,0,0,0,0|0,0,0]=2 19070 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,2,0,0,0,0|1,0,1]=4 19071 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [0,2,0,0,0,0|2,0,0]=4 19072 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [0,2,0,0,0,0|2,0,0]=4 19073 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [0,2,0,0,0,0|2,0,0]=4 19074 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000210581_100000730970 [0,2,0,0,0,0|2,0,0]=4 19075 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000731138_100000210314 [0,2,0,0,0,0|2,0,0]=4 19076 B12R0.234 CCCCCCNCCSC(C)C 34a_100000731138_100000210314 [0,2,0,0,0,0|2,0,0]=4 19077 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,2,0,0,0,0|0,0,2]=4 19078 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,2,0,0,0,0|0,0,2]=4 19079 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,2,0,0,0,0|0,0,2]=4 19080 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,2,0,0,0,0|0,0,2]=4 19081 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,2,0,0,0,0|0,0,2]=4 19082 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,2,0,0,0,0|0,0,2]=4 19083 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,2,0,0,0,0|1,0,0]=3 19084 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,2,0,0,0,0|1,0,0]=3 19085 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,2,0,0,0,0|1,0,0]=3 19086 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,2,0,0,0,0|1,0,0]=3 19087 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,2,0,0,0,0|0,0,0]=2 19088 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,2,0,0,0,0|0,0,0]=2 19089 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,2,0,0,0,0|2,0,0]=4 19090 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,2,0,0,0,0|1,0,1]=4 19091 B12R0.234 CCCCCCOCCNC(C)C 34a_100000224655_100000210314 [0,2,0,0,0,0|2,0,0]=4 19092 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [0,2,0,0,0,0|2,0,0]=4 19093 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [0,2,0,0,0,0|2,0,0]=4 19094 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [0,2,0,0,0,0|2,0,0]=4 19095 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [0,2,0,0,0,0|2,0,0]=4 19096 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [0,2,0,0,0,0|2,0,0]=4 19097 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [0,2,0,0,0,0|2,0,0]=4 19098 B12R0.234 CCCCCCOCCSC(C)C 34a_100000210259_100000730970 [0,2,0,0,0,0|2,0,0]=4 19099 B12R0.234 CCCCCCOCCSC(C)C 34a_200011212901_100000210314 [0,2,0,0,0,0|2,0,0]=4 19100 B12R0.234 CCCCCCOCCSC(C)C 7a_100000210259_100000730970 [0,2,0,0,0,0|2,0,0]=4 19101 B12R0.234 CCCCCCOCCSC(C)C 7a_200011212901_100000210314 [0,2,0,0,0,0|2,0,0]=4 19102 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,2,0,0,0,0|0,0,2]=4 19103 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,2,0,0,0,0|0,0,2]=4 19104 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,2,0,0,0,0|0,0,2]=4 19105 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,2,0,0,0,0|0,0,2]=4 19106 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,2,0,0,0,0|1,0,0]=3 19107 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,2,0,0,0,0|1,0,0]=3 19108 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,2,0,0,0,0|0,0,0]=2 19109 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,2,0,0,0,0|0,0,0]=2 19110 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,2,0,0,0,0|2,0,0]=4 19111 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [0,2,0,0,0,0|2,0,0]=4 19112 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [0,2,0,0,0,0|2,0,0]=4 19113 B12R0.234 CCCCCCSCCSC(C)C 62a_100000210314_100000730970 [0,2,0,0,0,0|2,0,0]=4 19114 B12R0.234 CCCCCCSCCSC(C)C 62a_100000730970_100000210757 [0,2,0,0,0,0|2,0,0]=4 19115 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,2,0,0,0,0|1,0,0]=3 19116 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,2,0,0,0,0|0,0,2]=4 19117 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,2,0,0,0,0|1,0,0]=3 19118 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [0,2,0,0,0,0|2,0,0]=4 19119 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [0,2,0,0,0,0|2,0,0]=4 19120 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,2,0,0,0,0|1,0,1]=4 19121 B12R0.234 CCCCCNCCOCC(C)C 34a_100000224656_100000210624 [0,2,0,0,0,0|2,0,0]=4 19122 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,2,0,0,0,0|1,0,0]=3 19123 B12R0.234 CCCCCNCCOCC(F)F 2230a_100000209983_200012177212 [0,2,0,0,0,0|2,0,0]=4 19124 B12R0.234 CCCCCNCCOCC(F)F 34a_100000224656_100011934356 [0,2,0,0,0,0|2,0,0]=4 19125 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,2,0,0,0,0|1,0,0]=3 19126 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,2,0,0,0,0|1,0,0]=3 19127 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,2,0,0,0,0|1,0,0]=3 19128 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,2,0,0,0,0|0,0,2]=4 19129 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,2,0,0,0,0|0,0,2]=4 19130 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,2,0,0,0,0|0,0,2]=4 19131 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,2,0,0,0,0|0,0,2]=4 19132 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,2,0,0,0,0|1,0,0]=3 19133 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,2,0,0,0,0|1,0,0]=3 19134 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,2,0,0,0,0|1,0,0]=3 19135 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,2,0,0,0,0|1,0,0]=3 19136 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,2,0,0,0,0|1,0,1]=4 19137 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,2,0,0,0,0|1,0,1]=4 19138 B12R0.234 CCCCCOCCCNC(C)C 34a_100000182298_100000718602 [0,2,0,0,0,0|2,0,0]=4 19139 B12R0.234 CCCCCOCCNCC(C)C 34a_100015185251_100000718602 [0,2,0,0,0,0|2,0,0]=4 19140 B12R0.234 CCCCCOCCOCC(C)C 34a_100000703358_100000718602 [0,2,0,0,0,0|2,0,0]=4 19141 B12R0.234 CCCCCOCCOCC(C)C 34a_100011215259_100000210624 [0,2,0,0,0,0|2,0,0]=4 19142 B12R0.234 CCCCCOCCOCC(C)C 7a_100000703358_100000210326 [0,2,0,0,0,0|2,0,0]=4 19143 B12R0.234 CCCCCOCCOCC(C)C 7a_100011215259_100000210760 [0,2,0,0,0,0|2,0,0]=4 19144 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,2,0,0,0,0|1,0,0]=3 19145 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,2,0,0,0,0|1,0,0]=3 19146 B12R0.234 CCCCCOCCOCC(F)F 34a_100000210253_200012177212 [0,2,0,0,0,0|2,0,0]=4 19147 B12R0.234 CCCCCOCCOCC(F)F 34a_100000704375_100000718602 [0,2,0,0,0,0|2,0,0]=4 19148 B12R0.234 CCCCCOCCOCC(F)F 34a_100011215259_100011934356 [0,2,0,0,0,0|2,0,0]=4 19149 B12R0.234 CCCCCOCCOCC(F)F 7a_100000210253_200012177212 [0,2,0,0,0,0|2,0,0]=4 19150 B12R0.234 CCCCCOCCOCC(F)F 7a_100000704375_100000210326 [0,2,0,0,0,0|2,0,0]=4 19151 B12R0.234 CCCCCOCCOCC(F)F 7a_100011215259_100011934356 [0,2,0,0,0,0|2,0,0]=4 19152 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,2,0,0,0,0|1,0,0]=3 19153 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,2,0,0,0,0|1,0,0]=3 19154 B12R0.234 CCCCCOCCSCC(C)C 34a_200000230437_100000718602 [0,2,0,0,0,0|2,0,0]=4 19155 B12R0.234 CCCCCOCCSCC(C)C 7a_200000230437_100000210326 [0,2,0,0,0,0|2,0,0]=4 19156 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,2,0,0,0,0|1,0,0]=3 19157 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,2,0,0,0,0|1,0,0]=3 19158 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,2,0,0,0,0|0,0,2]=4 19159 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,2,0,0,0,0|0,0,2]=4 19160 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,2,0,0,0,0|1,0,0]=3 19161 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,2,0,0,0,0|1,0,0]=3 19162 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,2,0,0,0,0|2,0,0]=4 19163 B12R0.234 CCCCCSCCOCC(F)F 62a_100000210326_200012177212 [0,2,0,0,0,0|2,0,0]=4 19164 B12R0.234 CCCCCSCCOCC(F)F 62a_200012177212_100000210326 [0,2,0,0,0,0|2,0,0]=4 19165 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,2,0,0,0,0|1,0,0]=3 19166 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,2,0,0,0,0|1,0,0]=3 19167 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,2,0,0,0,0|0,0,2]=4 19168 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,2,0,0,0,0|0,0,2]=4 19169 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,2,0,0,0,0|1,0,0]=3 19170 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,2,0,0,0,0|1,0,0]=3 19171 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,2,0,0,0,0|1,0,0]=3 19172 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,2,0,0,0,0|1,0,0]=3 19173 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [0,2,0,0,0,0|2,0,0]=4 19174 B12R0.234 CCCCNCCCOCC(C)C 2230a_100000205972_100000210211 [0,2,0,0,0,0|2,0,0]=4 19175 B12R0.234 CCCCNCCCOCC(C)C 34a_100000205972_100000210210 [0,2,0,0,0,0|2,0,0]=4 19176 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,2,0,0,0,0|1,0,0]=3 19177 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,2,0,0,0,0|1,0,0]=3 19178 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,2,0,0,0,0|0,0,2]=4 19179 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,2,0,0,0,0|0,0,2]=4 19180 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,2,0,0,0,0|0,0,2]=4 19181 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,2,0,0,0,0|0,0,2]=4 19182 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,2,0,0,0,0|0,0,2]=4 19183 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,2,0,0,0,0|1,0,0]=3 19184 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,2,0,0,0,0|1,0,0]=3 19185 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,2,0,0,0,0|1,0,0]=3 19186 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,2,0,0,0,0|1,0,0]=3 19187 B12R0.234 CCCCOCCCCNC(C)C 34a_100011521146_100000210210 [0,2,0,0,0,0|2,0,0]=4 19188 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [0,2,0,0,0,0|2,0,0]=4 19189 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [0,2,0,0,0,0|2,0,0]=4 19190 B12R0.234 CCCCOCCCNCC(C)C 2230a_200000211371_100000210760 [0,2,0,0,0,0|2,0,0]=4 19191 B12R0.234 CCCCOCCCNCC(C)C 270004a_200000211371_100000210432 [0,2,0,0,0,0|2,0,0]=4 19192 B12R0.234 CCCCOCCCNCC(C)C 34a_200000211371_100000210624 [0,2,0,0,0,0|2,0,0]=4 19193 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,2,0,0,0,0|1,0,0]=3 19194 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,2,0,0,0,0|1,0,0]=3 19195 B12R0.234 CCCCOCCCNCC(F)F 2230a_200000211371_100011934356 [0,2,0,0,0,0|2,0,0]=4 19196 B12R0.234 CCCCOCCCNCC(F)F 34a_200000211371_100011934356 [0,2,0,0,0,0|2,0,0]=4 19197 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,2,0,0,0,0|1,0,0]=3 19198 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,2,0,0,0,0|1,0,0]=3 19199 B12R0.234 CCCCOCCCOCC(C)C 34a_200011215613_100000210624 [0,2,0,0,0,0|2,0,0]=4 19200 B12R0.234 CCCCOCCCOCC(C)C 7a_200011215613_100000210760 [0,2,0,0,0,0|2,0,0]=4 19201 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,2,0,0,0,0|1,0,0]=3 19202 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,2,0,0,0,0|1,0,0]=3 19203 B12R0.234 CCCCOCCCOCC(F)F 34a_200011215613_100011934356 [0,2,0,0,0,0|2,0,0]=4 19204 B12R0.234 CCCCOCCCOCC(F)F 7a_200011215613_100011934356 [0,2,0,0,0,0|2,0,0]=4 19205 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,2,0,0,0,0|1,0,0]=3 19206 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,2,0,0,0,0|1,0,0]=3 19207 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,2,0,0,0,0|1,0,0]=3 19208 B12R0.234 CCCCOCCOCCC(C)Br 34a_100009893172_100000743108 [0,2,0,0,0,0|2,0,0]=4 19209 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210238_100000210312 [0,2,0,0,0,0|2,0,0]=4 19210 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210254_100000743108 [0,2,0,0,0,0|2,0,0]=4 19211 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210238_100000210626 [0,2,0,0,0,0|2,0,0]=4 19212 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210254_100000743108 [0,2,0,0,0,0|2,0,0]=4 19213 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,2,0,0,0,0|1,0,0]=3 19214 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,2,0,0,0,0|1,0,0]=3 19215 B12R0.234 CCCCOCCOCCC(F)F 34a_100103093639_100000743108 [0,2,0,0,0,0|2,0,0]=4 19216 B12R0.234 CCCCOCCOCC[C@@H](C)N 34a_100000706166_100000743108 [0,2,0,0,0,0|2,0,0]=4 19217 B12R0.234 CCCCOCCSCCC(C)C 62a_100000210312_100000743108 [0,2,0,0,0,0|2,0,0]=4 19218 B12R0.234 CCCCOCCSCCC(C)C 62a_100000743108_100000210312 [0,2,0,0,0,0|2,0,0]=4 19219 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,2,0,0,0,0|1,0,0]=3 19220 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,2,0,0,0,0|1,0,0]=3 19221 B12R0.234 CCCCOCNCCCC(C)C 2230a_200000737386_100011995733 [0,2,0,0,0,0|2,0,0]=4 19222 B12R0.234 CCCCOCNCCCC(C)C 34a_200000737386_100011995733 [0,2,0,0,0,0|2,0,0]=4 19223 B12R0.234 CCCCOCOCCCC(C)C 34a_100000210774_100011995733 [0,2,0,0,0,0|2,0,0]=4 19224 B12R0.234 CCCCOCSCCCC(C)C 62a_100011214892_100011995733 [0,2,0,0,0,0|2,0,0]=4 19225 B12R0.234 CCCCOCSCCCC(C)C 62a_100011995733_100011214892 [0,2,0,0,0,0|2,0,0]=4 19226 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,2,0,0,0,0|1,0,0]=3 19227 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,2,0,0,0,0|1,0,0]=3 19228 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,2,0,0,0,0|1,0,0]=3 19229 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,2,0,0,0,0|1,0,0]=3 19230 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,2,0,0,0,0|0,0,2]=4 19231 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,2,0,0,0,0|0,0,2]=4 19232 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,2,0,0,0,0|1,0,0]=3 19233 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,2,0,0,0,0|1,0,0]=3 19234 B12R0.234 CCCCSCCNCCC(C)C 2230a_100025743550_100000210312 [0,2,0,0,0,0|2,0,0]=4 19235 B12R0.234 CCCCSCCNCCC(C)C 269862a_100025743550_100000185833 [0,2,0,0,0,0|2,0,0]=4 19236 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,2,0,0,0,0|1,0,0]=3 19237 B12R0.234 CCCCSCCOCCC(C)C 34a_200000230436_100000210312 [0,2,0,0,0,0|2,0,0]=4 19238 B12R0.234 CCCCSCCOCCC(C)C 7a_200000230436_100000210626 [0,2,0,0,0,0|2,0,0]=4 19239 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,2,0,0,0,0|1,0,0]=3 19240 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,2,0,0,0,0|1,0,0]=3 19241 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,2,0,0,0,0|1,0,0]=3 19242 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,2,0,0,0,0|1,0,0]=3 19243 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,2,0,0,0,0|1,0,0]=3 19244 B12R0.234 CCCOCCCCCNC(C)C 34a_100011629493_100000210303 [0,2,0,0,0,0|2,0,0]=4 19245 B12R0.234 CCCOCCCNCCC(C)C 2230a_100011217757_100000210312 [0,2,0,0,0,0|2,0,0]=4 19246 B12R0.234 CCCOCCCNCCC(C)C 269862a_100011217757_100000185833 [0,2,0,0,0,0|2,0,0]=4 19247 B12R0.234 CCCOCCCNCCC(C)C 34a_100011217757_100000210312 [0,2,0,0,0,0|2,0,0]=4 19248 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,2,0,0,0,0|1,0,0]=3 19249 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,2,0,0,0,0|1,0,0]=3 19250 B12R0.234 CCCOCCNCCCC(C)C 2230a_100161115042_100011214892 [0,2,0,0,0,0|2,0,0]=4 19251 B12R0.234 CCCOCCNCCCC(C)C 2230a_200000737386_100011215938 [0,2,0,0,0,0|2,0,0]=4 19252 B12R0.234 CCCOCCNCCCC(C)C 34a_100161115042_100011214892 [0,2,0,0,0,0|2,0,0]=4 19253 B12R0.234 CCCOCCNCCCC(C)C 34a_200000737386_100011215938 [0,2,0,0,0,0|2,0,0]=4 19254 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,2,0,0,0,0|1,0,0]=3 19255 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,2,0,0,0,0|1,0,0]=3 19256 B12R0.234 CCCOCCOCCCC(C)C 34a_100000210774_100011215938 [0,2,0,0,0,0|2,0,0]=4 19257 B12R0.234 CCCOCCOCCCC(C)C 34a_100000752267_100011214892 [0,2,0,0,0,0|2,0,0]=4 19258 B12R0.234 CCCOCCOCCCC(C)C 7a_100000210774_100011215938 [0,2,0,0,0,0|2,0,0]=4 19259 B12R0.234 CCCOCCOCCCC(C)C 7a_100000752267_100011214892 [0,2,0,0,0,0|2,0,0]=4 19260 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,2,0,0,0,0|1,0,0]=3 19261 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,2,0,0,0,0|1,0,0]=3 19262 B12R0.234 CCCOCCSCCCC(C)C 62a_100011214892_100011215938 [0,2,0,0,0,0|2,0,0]=4 19263 B12R0.234 CCCOCCSCCCC(C)C 62a_100011215938_100011214892 [0,2,0,0,0,0|2,0,0]=4 19264 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,2,0,0,0,0|1,0,0]=3 19265 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,2,0,0,0,0|1,0,0]=3 19266 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,2,0,0,0,0|1,0,0]=3 19267 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,2,0,0,0,0|1,0,0]=3 19268 B12R0.234 CCCSCCNCCCC(C)C 2230a_100020603323_100011214892 [0,2,0,0,0,0|2,0,0]=4 19269 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,2,0,0,0,0|1,0,0]=3 19270 B12R0.234 CCCSCCOCCCC(C)C 34a_200000230433_100011214892 [0,2,0,0,0,0|2,0,0]=4 19271 B12R0.234 CCCSCCOCCCC(C)C 7a_200000230433_100011214892 [0,2,0,0,0,0|2,0,0]=4 19272 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,2,0,0,0,0|1,0,0]=3 19273 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,2,0,0,0,0|1,0,0]=3 19274 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,2,0,0,0,0|1,0,0]=3 19275 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,2,0,0,0,0|1,0,0]=3 19276 B12R0.234 CCOCCCNCCCC(C)C 2230a_100000210961_100011214892 [0,2,0,0,0,0|2,0,0]=4 19277 B12R0.234 CCOCCCNCCCC(C)C 2230a_200000737386_100012232248 [0,2,0,0,0,0|2,0,0]=4 19278 B12R0.234 CCOCCCNCCCC(C)C 34a_100000210961_100011214892 [0,2,0,0,0,0|2,0,0]=4 19279 B12R0.234 CCOCCCNCCCC(C)C 34a_200000737386_100012232248 [0,2,0,0,0,0|2,0,0]=4 19280 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,2,0,0,0,0|1,0,0]=3 19281 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,2,0,0,0,0|1,0,0]=3 19282 B12R0.234 CCOCCCOCCCC(C)C 34a_100000210774_100012232248 [0,2,0,0,0,0|2,0,0]=4 19283 B12R0.234 CCOCCCOCCCC(C)C 34a_100000757476_100011214892 [0,2,0,0,0,0|2,0,0]=4 19284 B12R0.234 CCOCCCOCCCC(C)C 7a_100000210774_100012232248 [0,2,0,0,0,0|2,0,0]=4 19285 B12R0.234 CCOCCCOCCCC(C)C 7a_100000757476_100011214892 [0,2,0,0,0,0|2,0,0]=4 19286 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,2,0,0,0,0|1,0,0]=3 19287 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,2,0,0,0,0|1,0,0]=3 19288 B12R0.234 CCOCCCSCCCC(C)C 62a_100011214892_100012232248 [0,2,0,0,0,0|2,0,0]=4 19289 B12R0.234 CCOCCCSCCCC(C)C 62a_100012232248_100011214892 [0,2,0,0,0,0|2,0,0]=4 19290 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,2,0,0,0,0|1,0,0]=3 19291 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,2,0,0,0,0|1,0,0]=3 19292 B12R0.234 CCOCCNCCCCB(O)O 2230a_102516460346_200009817182 [0,2,0,0,0,0|2,0,0]=4 19293 B12R0.234 CCOCCNCCCCB(O)O 34a_102516460346_200009817182 [0,2,0,0,0,0|2,0,0]=4 19294 B12R0.234 CCOCCNCCCCC(C)C 2230a_102516460346_100011216152 [0,2,0,0,0,0|2,0,0]=4 19295 B12R0.234 CCOCCNCCCCC(C)C 34a_102516460346_100011216152 [0,2,0,0,0,0|2,0,0]=4 19296 B12R0.234 CCOCCOCCCCB(O)O 34a_100000210136_200009817182 [0,2,0,0,0,0|2,0,0]=4 19297 B12R0.234 CCOCCOCCCCB(O)O 7a_100000210136_200009817182 [0,2,0,0,0,0|2,0,0]=4 19298 B12R0.234 CCOCCOCCCCC(C)C 34a_100000210136_100011216152 [0,2,0,0,0,0|2,0,0]=4 19299 B12R0.234 CCOCCOCCCCC(C)C 34a_100011214890_100000210147 [0,2,0,0,0,0|2,0,0]=4 19300 B12R0.234 CCOCCOCCCCC(C)C 7a_100000210136_100011216152 [0,2,0,0,0,0|2,0,0]=4 19301 B12R0.234 CCOCCOCCCCC(C)C 7a_100011214890_100011215890 [0,2,0,0,0,0|2,0,0]=4 19302 B12R0.234 CCOCCOCCNCC(C)O 2230a_100000210904_100011211534 [0,2,0,0,0,0|2,0,0]=4 19303 B12R0.234 CCOCCOCCNCC(C)O 2230a_100102712874_100011218427 [0,2,0,0,0,0|2,0,0]=4 19304 B12R0.234 CCOCCOCCNCC(C)O 34a_100000210904_100011211534 [0,2,0,0,0,0|2,0,0]=4 19305 B12R0.234 CCOCCOCCNCC(C)O 34a_100102712874_100011218427 [0,2,0,0,0,0|2,0,0]=4 19306 B12R0.234 CCOCCOCCNC[C@@H](C)O 2230a_100102712874_100009817552 [0,2,0,0,0,0|2,0,0]=4 19307 B12R0.234 CCOCCOCCNC[C@@H](C)O 34a_100102712874_100009817552 [0,2,0,0,0,0|2,0,0]=4 19308 B12R0.234 CCOCCOCCOCC(C)O 34a_100000210240_100011218427 [0,2,0,0,0,0|2,0,0]=4 19309 B12R0.234 CCOCCOCCOCC(C)O 7a_100000210240_100011218427 [0,2,0,0,0,0|2,0,0]=4 19310 B12R0.234 CCOCCOCCOC[C@@H](C)O 34a_100000210240_100009817552 [0,2,0,0,0,0|2,0,0]=4 19311 B12R0.234 CCOCCOCCOC[C@@H](C)O 7a_100000210240_100009817552 [0,2,0,0,0,0|2,0,0]=4 19312 B12R0.234 CCOCCOCCSCC(C)O 62a_100011211534_100011218427 [0,2,0,0,0,0|2,0,0]=4 19313 B12R0.234 CCOCCOCCSCC(C)O 62a_100011218427_100011211534 [0,2,0,0,0,0|2,0,0]=4 19314 B12R0.234 CCOCCOCCSC[C@@H](C)O 62a_100009817552_100011211534 [0,2,0,0,0,0|2,0,0]=4 19315 B12R0.234 CCOCCOCCSC[C@@H](C)O 62a_100011211534_100009817552 [0,2,0,0,0,0|2,0,0]=4 19316 B12R0.234 CCOCCSCCCCB(O)O 62a_100000210147_200009817182 [0,2,0,0,0,0|2,0,0]=4 19317 B12R0.234 CCOCCSCCCCB(O)O 62a_200009817182_100011215890 [0,2,0,0,0,0|2,0,0]=4 19318 B12R0.234 CCOCCSCCCCC(C)C 62a_100000210147_100011216152 [0,2,0,0,0,0|2,0,0]=4 19319 B12R0.234 CCOCCSCCCCC(C)C 62a_100011216152_100011215890 [0,2,0,0,0,0|2,0,0]=4 19320 B12R0.234 CCOCSCCCCCB(O)O 62a_100000739092_200009817188 [0,2,0,0,0,0|2,0,0]=4 19321 B12R0.234 CCOCSCCCCCB(O)O 62a_200009817188_100000739092 [0,2,0,0,0,0|2,0,0]=4 19322 B12R0.234 CCOCSCCCCCC(C)C 62a_100000210682_100000739092 [0,2,0,0,0,0|2,0,0]=4 19323 B12R0.234 CCOCSCCCCCC(C)C 62a_100000739092_100000210682 [0,2,0,0,0,0|2,0,0]=4 19324 B12R0.234 CCSCCCOCCCC(C)C 34a_100011216438_100011214892 [0,2,0,0,0,0|2,0,0]=4 19325 B12R0.234 CCSCCCOCCCC(C)C 7a_100011216438_100011214892 [0,2,0,0,0,0|2,0,0]=4 19326 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,2,0,0,0,0|1,0,0]=3 19327 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,2,0,0,0,0|1,0,0]=3 19328 B12R0.234 CCSCCNCCCCB(O)O 2230a_100000106463_200009817182 [0,2,0,0,0,0|2,0,0]=4 19329 B12R0.234 CCSCCNCCCCC(C)C 2230a_100000106463_100011216152 [0,2,0,0,0,0|2,0,0]=4 19330 B12R0.234 CCSCCOCCCCB(O)O 34a_100000212035_200009817182 [0,2,0,0,0,0|2,0,0]=4 19331 B12R0.234 CCSCCOCCCCB(O)O 7a_100000212035_200009817182 [0,2,0,0,0,0|2,0,0]=4 19332 B12R0.234 CCSCCOCCCCC(C)C 34a_100000212035_100011216152 [0,2,0,0,0,0|2,0,0]=4 19333 B12R0.234 CCSCCOCCCCC(C)C 34a_100011214890_100000757381 [0,2,0,0,0,0|2,0,0]=4 19334 B12R0.234 CCSCCOCCCCC(C)C 7a_100000212035_100011216152 [0,2,0,0,0,0|2,0,0]=4 19335 B12R0.234 CCSCCOCCCCC(C)C 7a_100011214890_100000757381 [0,2,0,0,0,0|2,0,0]=4 19336 B12R0.234 CCSCCSCCCCB(O)O 62a_100000757381_200009817182 [0,2,0,0,0,0|2,0,0]=4 19337 B12R0.234 CCSCCSCCCCB(O)O 62a_200009817182_100000757381 [0,2,0,0,0,0|2,0,0]=4 19338 B12R0.234 CCSCCSCCCCC(C)C 62a_100000757381_100011216152 [0,2,0,0,0,0|2,0,0]=4 19339 B12R0.234 CCSCCSCCCCC(C)C 62a_100011216152_100000757381 [0,2,0,0,0,0|2,0,0]=4 19340 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,2,0,0,0,0|0,0,0]=2 19341 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,2,0,0,0,0|0,0,0]=2 19342 B12R0.234 CN(C)CCCCSCCCCF 62a_100000729493_100000690147 [0,2,0,0,0,0|2,0,0]=4 19343 B12R0.234 CN(C)CCCCSCCCCO 62a_100000210776_100000690147 [0,2,0,0,0,0|1,0,0]=3 19344 B12R0.234 CN(C)CCCOCCCCCBr 7a_100000746331_100000757444 [0,2,0,0,0,0|2,0,0]=4 19345 B12R0.234 CN(C)CCCOCCCCCCl 7a_100000746330_100000757444 [0,2,0,0,0,0|2,0,0]=4 19346 B12R0.234 CN(C)CCCOCCCCCI 7a_200012148887_100000757444 [0,2,0,0,0,0|2,0,0]=4 19347 B12R0.234 CN(C)CCCSCCCCCF 62a_100000729378_100000757444 [0,2,0,0,0,0|2,0,0]=4 19348 B12R0.234 CN(C)CCCSCCCCCO 62a_100000746330_100000757444 [0,2,0,0,0,0|1,0,0]=3 19349 B12R0.234 CN(C)CCCSCCOCCO 62a_100011215305_100000757444 [0,2,0,0,0,0|2,0,0]=4 19350 B12R0.234 CN(C)CCOCCCCCCBr 7a_100011215345_100000755713 [0,2,0,0,0,0|2,0,0]=4 19351 B12R0.234 CN(C)CCOCCCCCCCl 7a_100000766143_100000755713 [0,2,0,0,0,0|2,0,0]=4 19352 B12R0.234 CN(C)CCOCCCCCCF 7a_100000732779_100000755713 [0,2,0,0,0,0|2,0,0]=4 19353 B12R0.234 CN(C)CCSCCCCCCF 62a_100015922095_100000755713 [0,2,0,0,0,0|2,0,0]=4 19354 B12R0.234 CN(C)CCSCCCCCCO 62a_100000766143_100000755713 [0,2,0,0,0,0|1,0,0]=3 19355 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,2,0,0,0,0|2,0,0]=4 19356 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,2,0,0,0,0|1,0,0]=3 19357 B12R0.234 CNCCCOCCCCB(O)O 34a_100000213112_200009817182 [0,2,0,0,0,0|2,0,0]=4 19358 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,2,0,0,0,0|2,0,0]=4 19359 B12R0.234 CNCCOCCOCCC(C)O 34a_100000228057_100012276601 [0,2,0,0,0,0|2,0,0]=4 19360 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,2,0,0,0,0|1,0,1]=4 19361 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [0,2,0,0,0,0|1,0,0]=3 19362 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [0,2,0,0,0,0|1,0,0]=3 19363 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,2,0,0,0,0|1,0,0]=3 19364 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,2,0,0,0,0|1,0,0]=3 19365 B12R0.234 COCCCCCCNCC(F)F 34a_100000765723_100011998445 [0,2,0,0,0,0|2,0,0]=4 19366 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,2,0,0,0,0|1,0,1]=4 19367 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,2,0,0,0,0|1,0,0]=3 19368 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,2,0,0,0,0|1,0,0]=3 19369 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,2,0,0,0,0|1,0,0]=3 19370 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,2,0,0,0,0|1,0,0]=3 19371 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,2,0,0,0,0|1,0,0]=3 19372 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,2,0,0,0,0|1,0,0]=3 19373 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,2,0,0,0,0|1,0,0]=3 19374 B12R0.234 COCCCCCCOCC(F)F 34a_100000743014_100011998445 [0,2,0,0,0,0|2,0,0]=4 19375 B12R0.234 COCCCCCCOCC(F)F 34a_200012092642_100011934356 [0,2,0,0,0,0|2,0,0]=4 19376 B12R0.234 COCCCCCCOCC(F)F 7a_200012092642_100011934356 [0,2,0,0,0,0|2,0,0]=4 19377 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,2,0,0,0,0|1,0,0]=3 19378 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,2,0,0,0,0|1,0,0]=3 19379 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,2,0,0,0,0|1,0,0]=3 19380 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,2,0,0,0,0|1,0,0]=3 19381 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [0,2,0,0,0,0|1,0,0]=3 19382 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [0,2,0,0,0,0|1,0,0]=3 19383 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,2,0,0,0,0|1,0,0]=3 19384 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,2,0,0,0,0|1,0,0]=3 19385 B12R0.234 COCCCCCCSCC(F)F 62a_100011934356_100011998445 [0,2,0,0,0,0|2,0,0]=4 19386 B12R0.234 COCCCCCCSCC(F)F 62a_100011998445_100011934356 [0,2,0,0,0,0|2,0,0]=4 19387 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,2,0,0,0,0|1,0,0]=3 19388 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,2,0,0,0,0|1,0,0]=3 19389 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,2,0,0,0,0|1,0,0]=3 19390 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,2,0,0,0,0|1,0,0]=3 19391 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,2,0,0,0,0|1,0,0]=3 19392 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,2,0,0,0,0|1,0,0]=3 19393 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,2,0,0,0,0|1,0,0]=3 19394 B12R0.234 COCCCCCNCOC(C)C 2230a_100000747528_100000709892 [0,2,0,0,0,0|2,0,0]=4 19395 B12R0.234 COCCCCCNCOC(C)C 34a_100000747528_100000709892 [0,2,0,0,0,0|2,0,0]=4 19396 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [0,2,0,0,0,0|1,0,0]=3 19397 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [0,2,0,0,0,0|1,0,0]=3 19398 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,2,0,0,0,0|2,0,0]=4 19399 B12R0.234 COCCCCNCCOC(C)C 2230a_100000701111_100000730899 [0,2,0,0,0,0|2,0,0]=4 19400 B12R0.234 COCCCCNCCOC(C)C 34a_100000701111_100000755781 [0,2,0,0,0,0|2,0,0]=4 19401 B12R0.234 COCCCCNCCSC(C)C 2230a_100000731138_100000730899 [0,2,0,0,0,0|2,0,0]=4 19402 B12R0.234 COCCCCNCCSC(C)C 34a_100000731138_100000755781 [0,2,0,0,0,0|2,0,0]=4 19403 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,2,0,0,0,0|1,0,1]=4 19404 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,2,0,0,0,0|1,0,1]=4 19405 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,2,0,0,0,0|1,0,1]=4 19406 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [0,2,0,0,0,0|1,0,0]=3 19407 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [0,2,0,0,0,0|1,0,0]=3 19408 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [0,2,0,0,0,0|1,0,0]=3 19409 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,2,0,0,0,0|1,0,0]=3 19410 B12R0.234 COCCCCOCCNC(C)C 34a_100000224655_100000755781 [0,2,0,0,0,0|2,0,0]=4 19411 B12R0.234 COCCCCOCCOC(C)C 34a_100000211219_100000755781 [0,2,0,0,0,0|2,0,0]=4 19412 B12R0.234 COCCCCOCCOC(C)C 34a_100000740925_100000211751 [0,2,0,0,0,0|2,0,0]=4 19413 B12R0.234 COCCCCOCCOC(C)C 7a_100000211219_100000730899 [0,2,0,0,0,0|2,0,0]=4 19414 B12R0.234 COCCCCOCCSC(C)C 34a_100000740925_100000730970 [0,2,0,0,0,0|2,0,0]=4 19415 B12R0.234 COCCCCOCCSC(C)C 34a_200011212901_100000755781 [0,2,0,0,0,0|2,0,0]=4 19416 B12R0.234 COCCCCOCCSC(C)C 7a_200011212901_100000730899 [0,2,0,0,0,0|2,0,0]=4 19417 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,2,0,0,0,0|1,0,1]=4 19418 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,2,0,0,0,0|1,0,1]=4 19419 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [0,2,0,0,0,0|1,0,0]=3 19420 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [0,2,0,0,0,0|1,0,0]=3 19421 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,2,0,0,0,0|1,0,0]=3 19422 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,2,0,0,0,0|1,0,0]=3 19423 B12R0.234 COCCCCSCCCN(C)C 62a_100000730899_100000757444 [0,2,0,0,0,0|2,0,0]=4 19424 B12R0.234 COCCCCSCCOC(C)C 62a_100000211751_100000730899 [0,2,0,0,0,0|2,0,0]=4 19425 B12R0.234 COCCCCSCCOC(C)C 62a_100000730899_100000211751 [0,2,0,0,0,0|2,0,0]=4 19426 B12R0.234 COCCCCSCCSC(C)C 62a_100000730899_100000730970 [0,2,0,0,0,0|2,0,0]=4 19427 B12R0.234 COCCCCSCCSC(C)C 62a_100000730970_100000730899 [0,2,0,0,0,0|2,0,0]=4 19428 B12R0.234 COCCCNCCCCB(O)O 34a_100150723488_200009817182 [0,2,0,0,0,0|2,0,0]=4 19429 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,2,0,0,0,0|1,0,1]=4 19430 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [0,2,0,0,0,0|1,0,0]=3 19431 B12R0.234 COCCCNCCCOC(C)C 2230a_100000737246_100000740836 [0,2,0,0,0,0|2,0,0]=4 19432 B12R0.234 COCCCNCCCOC(C)C 34a_100000737246_100000740836 [0,2,0,0,0,0|2,0,0]=4 19433 B12R0.234 COCCCOCCCCB(O)O 34a_100000740835_200009817182 [0,2,0,0,0,0|2,0,0]=4 19434 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,2,0,0,0,0|1,0,1]=4 19435 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [0,2,0,0,0,0|1,0,0]=3 19436 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [0,2,0,0,0,0|1,0,0]=3 19437 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [0,2,0,0,0,0|1,0,0]=3 19438 B12R0.234 COCCCOCCCNC(C)C 34a_100000182298_100000740836 [0,2,0,0,0,0|2,0,0]=4 19439 B12R0.234 COCCCOCCCOC(C)C 34a_200011215475_100000210206 [0,2,0,0,0,0|2,0,0]=4 19440 B12R0.234 COCCCOCCCOC(C)C 7a_200011215475_100000210206 [0,2,0,0,0,0|2,0,0]=4 19441 B12R0.234 COCCCOCCNCC(C)C 34a_100015185251_100000740836 [0,2,0,0,0,0|2,0,0]=4 19442 B12R0.234 COCCCOCCOCC(C)C 34a_100000703358_100000740836 [0,2,0,0,0,0|2,0,0]=4 19443 B12R0.234 COCCCOCCOCC(C)C 7a_100000703358_100000740836 [0,2,0,0,0,0|2,0,0]=4 19444 B12R0.234 COCCCOCCSCC(C)C 34a_200000230437_100000740836 [0,2,0,0,0,0|2,0,0]=4 19445 B12R0.234 COCCCOCCSCC(C)C 7a_200000230437_100000740836 [0,2,0,0,0,0|2,0,0]=4 19446 B12R0.234 COCCCSCCCCB(O)O 62a_100000709357_200009817182 [0,2,0,0,0,0|2,0,0]=4 19447 B12R0.234 COCCCSCCCCB(O)O 62a_200009817182_100000709357 [0,2,0,0,0,0|2,0,0]=4 19448 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,2,0,0,0,0|1,0,1]=4 19449 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,2,0,0,0,0|1,0,1]=4 19450 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [0,2,0,0,0,0|1,0,0]=3 19451 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [0,2,0,0,0,0|1,0,0]=3 19452 B12R0.234 COCCCSCCCCN(C)C 62a_100000709357_100000690147 [0,2,0,0,0,0|2,0,0]=4 19453 B12R0.234 COCCNCCCCCB(O)O 2230a_100000209980_200009817188 [0,2,0,0,0,0|2,0,0]=4 19454 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,2,0,0,0,0|1,0,0]=3 19455 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,2,0,0,0,0|1,0,0]=3 19456 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,2,0,0,0,0|1,0,0]=3 19457 B12R0.234 COCCNCCCOCC(C)C 2230a_100000205972_100011201679 [0,2,0,0,0,0|2,0,0]=4 19458 B12R0.234 COCCNCCCOCC(C)C 34a_100000205972_100011201679 [0,2,0,0,0,0|2,0,0]=4 19459 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,2,0,0,0,0|2,0,0]=4 19460 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,2,0,0,0,0|1,0,0]=3 19461 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,2,0,0,0,0|1,0,0]=3 19462 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,2,0,0,0,0|1,0,0]=3 19463 B12R0.234 COCCOCCCCNC(C)C 34a_100011521146_100011201679 [0,2,0,0,0,0|2,0,0]=4 19464 B12R0.234 COCCOCCCNCC(C)C 2230a_100000206027_100000210760 [0,2,0,0,0,0|2,0,0]=4 19465 B12R0.234 COCCOCCCNCC(C)C 2230a_100000210953_100011216529 [0,2,0,0,0,0|2,0,0]=4 19466 B12R0.234 COCCOCCCNCC(C)C 270004a_100000206027_100000210432 [0,2,0,0,0,0|2,0,0]=4 19467 B12R0.234 COCCOCCCNCC(C)C 34a_100000206027_100000210624 [0,2,0,0,0,0|2,0,0]=4 19468 B12R0.234 COCCOCCCNCC(C)C 34a_100000210953_100011216529 [0,2,0,0,0,0|2,0,0]=4 19469 B12R0.234 COCCOCCCNCC(C)O 2230a_100000206027_100011218427 [0,2,0,0,0,0|2,0,0]=4 19470 B12R0.234 COCCOCCCNCC(C)O 2230a_100000210904_100011216529 [0,2,0,0,0,0|2,0,0]=4 19471 B12R0.234 COCCOCCCNCC(C)O 34a_100000206027_100011218427 [0,2,0,0,0,0|2,0,0]=4 19472 B12R0.234 COCCOCCCNCC(C)O 34a_100000210904_100011216529 [0,2,0,0,0,0|2,0,0]=4 19473 B12R0.234 COCCOCCCNC[C@@H](C)O 2230a_100000206027_100009817552 [0,2,0,0,0,0|2,0,0]=4 19474 B12R0.234 COCCOCCCNC[C@@H](C)O 34a_100000206027_100009817552 [0,2,0,0,0,0|2,0,0]=4 19475 B12R0.234 COCCOCCCOCC(C)Br 34a_100012180447_100011216529 [0,2,0,0,0,0|2,0,0]=4 19476 B12R0.234 COCCOCCCOCC(C)C 34a_100000210257_100011216529 [0,2,0,0,0,0|2,0,0]=4 19477 B12R0.234 COCCOCCCOCC(C)F 34a_100015925927_100011216529 [0,2,0,0,0,0|2,0,0]=4 19478 B12R0.234 COCCOCCCOC[C@@H](C)Cl 34a_100016084084_100011216529 [0,2,0,0,0,0|2,0,0]=4 19479 B12R0.234 COCCOCCCOC[C@@H](C)N 34a_100000737577_100011216529 [0,2,0,0,0,0|2,0,0]=4 19480 B12R0.234 COCCOCCCSCC(C)C 62a_100000210624_100011216529 [0,2,0,0,0,0|2,0,0]=4 19481 B12R0.234 COCCOCCCSCC(C)C 62a_100011216529_100000210760 [0,2,0,0,0,0|2,0,0]=4 19482 B12R0.234 COCCOCCCSCC(C)O 62a_100011216529_100011218427 [0,2,0,0,0,0|2,0,0]=4 19483 B12R0.234 COCCOCCCSCC(C)O 62a_100011218427_100011216529 [0,2,0,0,0,0|2,0,0]=4 19484 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100009817552_100011216529 [0,2,0,0,0,0|2,0,0]=4 19485 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100011216529_100009817552 [0,2,0,0,0,0|2,0,0]=4 19486 B12R0.234 COCCOCCNCCC(C)C 2230a_100000745349_100000210312 [0,2,0,0,0,0|2,0,0]=4 19487 B12R0.234 COCCOCCNCCC(C)C 269862a_100000745349_100000185833 [0,2,0,0,0,0|2,0,0]=4 19488 B12R0.234 COCCOCCNCCC(C)C 34a_100000745349_100000210312 [0,2,0,0,0,0|2,0,0]=4 19489 B12R0.234 COCCOCCNCCC(C)O 2230a_100000745349_100012276601 [0,2,0,0,0,0|2,0,0]=4 19490 B12R0.234 COCCOCCNCCC(C)O 2230a_200000755665_100000695917 [0,2,0,0,0,0|2,0,0]=4 19491 B12R0.234 COCCOCCNCCC(C)O 34a_100000745349_100012276601 [0,2,0,0,0,0|2,0,0]=4 19492 B12R0.234 COCCOCCOCCC(C)Br 34a_100009893172_100000695917 [0,2,0,0,0,0|2,0,0]=4 19493 B12R0.234 COCCOCCOCCC(C)C 34a_100000210254_100000695917 [0,2,0,0,0,0|2,0,0]=4 19494 B12R0.234 COCCOCCOCCC(C)C 34a_100011215163_100000210312 [0,2,0,0,0,0|2,0,0]=4 19495 B12R0.234 COCCOCCOCCC(C)C 7a_100000210254_100000695917 [0,2,0,0,0,0|2,0,0]=4 19496 B12R0.234 COCCOCCOCCC(C)C 7a_100011215163_100000210626 [0,2,0,0,0,0|2,0,0]=4 19497 B12R0.234 COCCOCCOCCC(C)O 34a_100011215163_100012276601 [0,2,0,0,0,0|2,0,0]=4 19498 B12R0.234 COCCOCCOCCC(C)O 7a_100011215163_100012276601 [0,2,0,0,0,0|2,0,0]=4 19499 B12R0.234 COCCOCCOCC[C@@H](C)N 34a_100000706166_100000695917 [0,2,0,0,0,0|2,0,0]=4 19500 B12R0.234 COCCOCCSCCC(C)C 62a_100000210312_100000695917 [0,2,0,0,0,0|2,0,0]=4 19501 B12R0.234 COCCOCCSCCC(C)C 62a_100000695917_100000210312 [0,2,0,0,0,0|2,0,0]=4 19502 B12R0.234 COCCOCCSCCC(C)O 62a_100000695917_100012276601 [0,2,0,0,0,0|2,0,0]=4 19503 B12R0.234 COCCOCCSCCC(C)O 62a_100012276601_100000695917 [0,2,0,0,0,0|2,0,0]=4 19504 B12R0.234 COCCOCNCCCC(C)C 2230a_200000737386_100000231047 [0,2,0,0,0,0|2,0,0]=4 19505 B12R0.234 COCCOCSCCCC(C)C 62a_100000231047_100011214892 [0,2,0,0,0,0|2,0,0]=4 19506 B12R0.234 COCCOCSCCCC(C)C 62a_100011214892_100000231047 [0,2,0,0,0,0|2,0,0]=4 19507 B12R0.234 COCCOCSCCCC(C)O 62a_100000231047_200000718107 [0,2,0,0,0,0|2,0,0]=4 19508 B12R0.234 COCCOCSCCCC(C)O 62a_200000718107_100000231047 [0,2,0,0,0,0|2,0,0]=4 19509 B12R0.234 COCCSCCCCCB(O)O 62a_100000233755_200009817188 [0,2,0,0,0,0|2,0,0]=4 19510 B12R0.234 COCCSCCCCCB(O)O 62a_200009817188_100000233755 [0,2,0,0,0,0|2,0,0]=4 19511 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,2,0,0,0,0|1,0,0]=3 19512 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,2,0,0,0,0|1,0,0]=3 19513 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [0,2,0,0,0,0|1,0,0]=3 19514 B12R0.234 COCSCCCCCCB(O)O 62a_100000766300_100009817187 [0,2,0,0,0,0|2,0,0]=4 19515 B12R0.234 COCSCCCCCCB(O)O 62a_100009817187_100000766300 [0,2,0,0,0,0|2,0,0]=4 19516 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,2,0,0,0,0|2,0,0]=4 19517 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,2,0,0,0,0|1,0,0]=3 19518 B12R0.234 CS(=O)CCCNCCOCCO 2230a_200000753449_100011215305 [0,2,0,0,0,0|2,0,0]=4 19519 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [0,2,0,0,0,0|1,1,0]=4 19520 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [0,2,0,0,0,0|1,1,0]=4 19521 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,2,0,0,0,0|1,0,0]=3 19522 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,2,0,0,0,0|1,0,0]=3 19523 B12R0.234 CSCCCNCCCCB(O)O 2230a_100000749238_200009817182 [0,2,0,0,0,0|2,0,0]=4 19524 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [0,2,0,0,0,0|1,1,0]=4 19525 B12R0.234 CSCCCOCCCCB(O)O 34a_100000690336_200009817182 [0,2,0,0,0,0|2,0,0]=4 19526 B12R0.234 CSCCCOCCCCB(O)O 7a_100000690336_200009817182 [0,2,0,0,0,0|2,0,0]=4 19527 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [0,2,0,0,0,0|1,1,0]=4 19528 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [0,2,0,0,0,0|1,1,0]=4 19529 B12R0.234 CSCCNCCCCCB(O)O 2230a_100020590264_200009817188 [0,2,0,0,0,0|2,0,0]=4 19530 B12R0.234 CSCCNCCCCCC(C)C 2230a_100011290863_100000751147 [0,2,0,0,0,0|1,1,0]=4 19531 B12R0.234 CSCCNCCCCCC(C)C 2230a_100020590264_100000210682 [0,2,0,0,0,0|1,1,0]=4 19532 B12R0.234 CSCCNCCCCCC(C)C 34a_100011290863_100000212216 [0,2,0,0,0,0|1,1,0]=4 19533 B12R0.234 CSCCOCCCCCB(O)O 34a_100000230434_200009817188 [0,2,0,0,0,0|2,0,0]=4 19534 B12R0.234 CSCCOCCCCCB(O)O 7a_100000230434_200009817188 [0,2,0,0,0,0|2,0,0]=4 19535 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,2,0,0,0,0|1,1,0]=4 19536 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,2,0,0,0,0|1,1,0]=4 19537 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,2,0,0,0,0|1,1,0]=4 19538 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,2,0,0,0,0|1,1,0]=4 19539 B12R0.234 CSCCSCCCCCB(O)O 62a_100000212216_200009817188 [0,2,0,0,0,0|2,0,0]=4 19540 B12R0.234 CSCCSCCCCCB(O)O 62a_200009817188_100000751147 [0,2,0,0,0,0|2,0,0]=4 19541 B12R0.234 CSCCSCCCCCC(C)C 62a_100000210682_100000751147 [0,2,0,0,0,0|1,1,0]=4 19542 B12R0.234 CSCCSCCCCCC(C)C 62a_100000212216_100000210682 [0,2,0,0,0,0|1,1,0]=4 19543 B12R0.234 CSCNCCCCCCC(C)C 2230a_100000211014_100011218213 [0,2,0,0,0,0|1,1,0]=4 19544 B12R0.234 CSCNCCCCCCC(C)C 34a_100000211014_100011218213 [0,2,0,0,0,0|1,1,0]=4 19545 B12R0.234 CSCSCCCCCCB(O)O 62a_100009817187_100011218213 [0,2,0,0,0,0|2,0,0]=4 19546 B12R0.234 CSCSCCCCCCB(O)O 62a_100011218213_100009817187 [0,2,0,0,0,0|2,0,0]=4 19547 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,2,0,0,0,0|0,0,0]=2 19548 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [0,2,0,0,0,0|1,0,0]=3 19549 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,2,0,0,0,0|0,0,0]=2 19550 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,2,0,0,0,0|0,0,0]=2 19551 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,2,0,0,0,0|0,0,0]=2 19552 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,2,0,0,0,0|0,0,0]=2 19553 B12R0.234 C[C@@H](O)CNCCCOCCCO 2230a_100011310245_100009817552 [0,2,0,0,0,0|1,0,0]=3 19554 B12R0.234 C[C@@H](O)CNCCCOCCCO 34a_100011310245_100009817552 [0,2,0,0,0,0|1,0,0]=3 19555 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,2,0,0,0,0|1,0,0]=3 19556 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,2,0,0,0,0|1,0,0]=3 19557 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,2,0,0,0,0|1,0,0]=3 19558 B12R0.234 C[C@@H](O)COCCCOCCCN 34a_100011310245_100009817552 [0,2,0,0,0,0|2,0,0]=4 19559 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009813337_100009817552 [0,2,0,0,0,0|1,0,1]=4 19560 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009817552_100009813337 [0,2,0,0,0,0|1,0,1]=4 19561 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,2,0,0,0,0|0,0,0]=2 19562 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,2,0,0,0,0|0,0,0]=2 19563 B12R0.234 FC(F)COCCCCCCCBr 34a_100000760002_100011934356 [0,2,0,0,0,0|2,0,0]=4 19564 B12R0.234 FC(F)COCCCCCCCBr 7a_100000760002_100011934356 [0,2,0,0,0,0|2,0,0]=4 19565 B12R0.234 FCCCCCCOCCC(F)F 34a_100103093639_100015922095 [0,2,0,0,0,0|2,0,0]=4 19566 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,2,0,0,0,0|1,0,1]=4 19567 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,2,0,0,0,0|1,0,1]=4 19568 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,2,0,0,0,0|1,0,1]=4 19569 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,2,0,0,0,0|1,0,1]=4 19570 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,2,0,0,0,0|1,0,1]=4 19571 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,2,0,0,0,0|1,0,1]=4 19572 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,2,0,0,0,0|1,0,1]=4 19573 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,2,0,0,0,0|1,0,1]=4 19574 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,2,0,0,0,0|1,0,1]=4 19575 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,2,0,0,0,0|1,0,1]=4 19576 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,2,0,0,0,0|1,0,1]=4 19577 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,2,0,0,0,0|1,0,1]=4 19578 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,2,0,0,0,0|1,0,1]=4 19579 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,2,0,0,0,0|1,0,1]=4 19580 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,2,0,0,0,0|1,0,1]=4 19581 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,2,0,0,0,0|1,0,1]=4 19582 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,2,0,0,0,0|1,0,1]=4 19583 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,2,0,0,0,0|1,0,1]=4 19584 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,2,0,0,0,0|1,0,1]=4 19585 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,2,0,0,0,0|1,0,1]=4 19586 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,2,0,0,0,0|1,0,1]=4 19587 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,2,0,0,0,0|1,0,1]=4 19588 B12R0.234 NCCCCCCCOCC(F)F 34a_100011996573_100011934356 [0,2,0,0,0,0|2,0,0]=4 19589 B12R0.234 NCCCCOCCCCB(O)O 34a_100000750430_200009817182 [0,2,0,0,0,0|2,0,0]=4 19590 B12R0.234 NCCCOCCCCCB(O)O 34a_100000182051_200009817188 [0,2,0,0,0,0|2,0,0]=4 19591 B12R0.234 NCCOCCCCCCB(O)O 34a_100000210304_100009817187 [0,2,0,0,0,0|2,0,0]=4 19592 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,2,0,0,0,0|1,0,1]=4 19593 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,2,0,0,0,0|1,0,1]=4 19594 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,2,0,0,0,0|1,0,1]=4 19595 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,2,0,0,0,0|1,0,1]=4 19596 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,2,0,0,0,0|1,0,1]=4 19597 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,2,0,0,0,0|2,0,0]=4 19598 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,2,0,0,0,0|2,0,0]=4 19599 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,2,0,0,0,0|2,0,0]=4 19600 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,2,0,0,0,0|2,0,0]=4 19601 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,2,0,0,0,0|2,0,0]=4 19602 B12R0.234 OB(O)CCCCCCNCCF 34a_100000724931_100009817187 [0,2,0,0,0,0|2,0,0]=4 19603 B12R0.234 OB(O)CCCCCCOCCBr 34a_100000211926_100009817187 [0,2,0,0,0,0|2,0,0]=4 19604 B12R0.234 OB(O)CCCCCCSCCF 62a_100009817187_100011217306 [0,2,0,0,0,0|2,0,0]=4 19605 B12R0.234 OB(O)CCCCCCSCCF 62a_100011217306_100009817187 [0,2,0,0,0,0|2,0,0]=4 19606 B12R0.234 OB(O)CCCCCNCCCF 2230a_100015189416_200009817188 [0,2,0,0,0,0|2,0,0]=4 19607 B12R0.234 OB(O)CCCCCNCCCF 34a_100015189416_200009817188 [0,2,0,0,0,0|2,0,0]=4 19608 B12R0.234 OB(O)CCCCCOCCCBr 34a_100011217188_200009817188 [0,2,0,0,0,0|2,0,0]=4 19609 B12R0.234 OB(O)CCCCCOCCCCl 34a_100000230001_200009817188 [0,2,0,0,0,0|2,0,0]=4 19610 B12R0.234 OB(O)CCCCCOCCCF 34a_100000759539_200009817188 [0,2,0,0,0,0|2,0,0]=4 19611 B12R0.234 OB(O)CCCCCSCCCF 62a_100011934791_200009817188 [0,2,0,0,0,0|2,0,0]=4 19612 B12R0.234 OB(O)CCCCCSCCCF 62a_200009817188_100011934791 [0,2,0,0,0,0|2,0,0]=4 19613 B12R0.234 OB(O)CCCCOCCCCBr 34a_100011216708_200009817182 [0,2,0,0,0,0|2,0,0]=4 19614 B12R0.234 OB(O)CCCCOCCCCCl 34a_100000210776_200009817182 [0,2,0,0,0,0|2,0,0]=4 19615 B12R0.234 OB(O)CCCCOCCCCCl 7a_100000210776_200009817182 [0,2,0,0,0,0|2,0,0]=4 19616 B12R0.234 OB(O)CCCCOCCCCF 34a_100011995726_200009817182 [0,2,0,0,0,0|2,0,0]=4 19617 B12R0.234 OB(O)CCCCOCCCCF 7a_100011995726_200009817182 [0,2,0,0,0,0|2,0,0]=4 19618 B12R0.234 OB(O)CCCCOCCCCI 34a_200012148704_200009817182 [0,2,0,0,0,0|2,0,0]=4 19619 B12R0.234 OB(O)CCCCSCCCCF 62a_100000729493_200009817182 [0,2,0,0,0,0|2,0,0]=4 19620 B12R0.234 OB(O)CCCCSCCCCF 62a_200009817182_100000729493 [0,2,0,0,0,0|2,0,0]=4 19621 B12R0.234 OCCCCCCCNCC(F)F 2230a_100011996573_100011934356 [0,2,0,0,0,0|1,0,0]=3 19622 B12R0.234 OCCCCCCCNCC(F)F 34a_100000765723_100000760002 [0,2,0,0,0,0|1,0,0]=3 19623 B12R0.234 OCCCCCCCNCC(F)F 34a_100011996573_100011934356 [0,2,0,0,0,0|1,0,0]=3 19624 B12R0.234 OCCCCCCCOCC(F)F 34a_100000743014_100000760002 [0,2,0,0,0,0|1,0,0]=3 19625 B12R0.234 OCCCCCCCSCC(F)F 62a_100000760002_100011934356 [0,2,0,0,0,0|1,0,0]=3 19626 B12R0.234 OCCCCCCCSCC(F)F 62a_100011934356_100000760002 [0,2,0,0,0,0|1,0,0]=3 19627 B12R0.234 OCCCCCCOCCC(F)F 34a_100103093639_100000766143 [0,2,0,0,0,0|1,0,0]=3 19628 B12R0.234 OCCCCNCCCCB(O)O 2230a_100000750430_200009817182 [0,2,0,0,0,0|2,0,0]=4 19629 B12R0.234 OCCCCNCCCCB(O)O 34a_100000750430_200009817182 [0,2,0,0,0,0|2,0,0]=4 19630 B12R0.234 OCCCCNCCOCC(F)F 2230a_100000750430_200012177212 [0,2,0,0,0,0|2,0,0]=4 19631 B12R0.234 OCCCCNCCOCC(F)F 34a_100000750430_200012177212 [0,2,0,0,0,0|2,0,0]=4 19632 B12R0.234 OCCCCOCCOCC(F)F 34a_100000704375_100011216708 [0,2,0,0,0,0|2,0,0]=4 19633 B12R0.234 OCCCCOCCOCC(F)F 7a_100000704375_100000210776 [0,2,0,0,0,0|2,0,0]=4 19634 B12R0.234 OCCCCSCCCCB(O)O 62a_100000210776_200009817182 [0,2,0,0,0,0|2,0,0]=4 19635 B12R0.234 OCCCCSCCCCB(O)O 62a_200009817182_100000210776 [0,2,0,0,0,0|2,0,0]=4 19636 B12R0.234 OCCCCSCCOCC(F)F 62a_100000210776_200012177212 [0,2,0,0,0,0|2,0,0]=4 19637 B12R0.234 OCCCCSCCOCC(F)F 62a_200012177212_100000210776 [0,2,0,0,0,0|2,0,0]=4 19638 B12R0.234 OCCCOCCCNCC(F)F 2230a_100011310245_100011934356 [0,2,0,0,0,0|2,0,0]=4 19639 B12R0.234 OCCCOCCCNCC(F)F 34a_100011310245_100011934356 [0,2,0,0,0,0|2,0,0]=4 19640 B12R0.234 OCCCSCCCCCB(O)O 62a_100011215043_200009817188 [0,2,0,0,0,0|2,0,0]=4 19641 B12R0.234 OCCCSCCCCCB(O)O 62a_200009817188_100011215043 [0,2,0,0,0,0|2,0,0]=4 19642 B12R0.234 OCCNCCCCCCB(O)O 2230a_100016997473_100009817187 [0,2,0,0,0,0|2,0,0]=4 19643 B12R0.234 OCCNCCCCCCB(O)O 34a_100016990907_100009817187 [0,2,0,0,0,0|2,0,0]=4 19644 B12R0.234 OCCSCCCCCCB(O)O 62a_100000211926_100009817187 [0,2,0,0,0,0|2,0,0]=4 19645 B12R0.234 OCCSCCCCCCB(O)O 62a_100009817187_100000211926 [0,2,0,0,0,0|2,0,0]=4 19646 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,2,0,0,0,0|1,0,0]=3 19647 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|0,0,2]=4 19648 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|0,0,2]=4 19649 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,2,0,0,0,0|1,0,1]=4 19650 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,2,0,0,0,0|1,0,1]=4 19651 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,2,0,0,0,0|1,0,1]=4 19652 B12R0.248 C#CC(C)NCCCCCCCO 2230a_100000707721_100000760002 [0,2,0,0,0,0|1,0,0]=3 19653 B12R0.248 C#CC(C)NCCCCCCCO 34a_100000707721_100000760002 [0,2,0,0,0,0|1,0,0]=3 19654 B12R0.248 C#CC(C)NCCCCCCCO 34a_100011996573_200000035995 [0,2,0,0,0,0|1,0,0]=3 19655 B12R0.248 C#CC(C)NCCCOCCCO 34a_100011310245_200000035995 [0,2,0,0,0,0|2,0,0]=4 19656 B12R0.248 C#CC(C)OCCCCCCCBr 34a_100000760002_200000035995 [0,2,0,0,0,0|2,0,0]=4 19657 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,2,0,0,0,0|1,0,1]=4 19658 B12R0.248 C#CC(C)OCCCCCCCN 34a_100011996573_200000035995 [0,2,0,0,0,0|2,0,0]=4 19659 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,2,0,0,0,0|1,0,1]=4 19660 B12R0.248 C#CC(C)SCCCCCCCO 62a_200000035995_100000760002 [0,2,0,0,0,0|1,0,0]=3 19661 B12R0.248 C#CC(O)CCCCCNCCF 34a_100000724931_200010408556 [0,2,0,0,0,0|2,0,0]=4 19662 B12R0.248 C#CC(O)CCCCCNCCO 2230a_100016997473_200010408556 [0,2,0,0,0,0|0,0,2]=4 19663 B12R0.248 C#CC(O)CCCCCNCCO 34a_100016990907_200010408556 [0,2,0,0,0,0|0,0,2]=4 19664 B12R0.248 C#CC(O)CCCCCOCCBr 34a_100000211926_200010408556 [0,2,0,0,0,0|2,0,0]=4 19665 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,2,0,0,0,0|1,0,0]=3 19666 B12R0.248 C#CC(O)CCCCCOCCN 34a_100000210304_200010408556 [0,2,0,0,0,0|2,0,0]=4 19667 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,2,0,0,0,0|1,0,0]=3 19668 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,2,0,0,0,0|1,0,0]=3 19669 B12R0.248 C#CC(O)CCCCCSCCF 62a_100011217306_200010408556 [0,2,0,0,0,0|2,0,0]=4 19670 B12R0.248 C#CC(O)CCCCCSCCF 62a_200010408556_100011217306 [0,2,0,0,0,0|2,0,0]=4 19671 B12R0.248 C#CC(O)CCCCCSCCO 62a_100000211926_200010408556 [0,2,0,0,0,0|0,0,2]=4 19672 B12R0.248 C#CC(O)CCCCCSCCO 62a_200010408556_100000211926 [0,2,0,0,0,0|0,0,2]=4 19673 B12R0.248 C#CC(O)CCCCCSCOC 62a_100000766300_200010408556 [0,2,0,0,0,0|2,0,0]=4 19674 B12R0.248 C#CC(O)CCCCCSCOC 62a_200010408556_100000766300 [0,2,0,0,0,0|2,0,0]=4 19675 B12R0.248 C#CC(O)CCCCCSCSC 62a_100011218213_200010408556 [0,2,0,0,0,0|2,0,0]=4 19676 B12R0.248 C#CC(O)CCCCCSCSC 62a_200010408556_100011218213 [0,2,0,0,0,0|2,0,0]=4 19677 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|1,0,1]=4 19678 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|1,0,1]=4 19679 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|0,0,2]=4 19680 B12R0.248 C#CCCCCCCCN(C)CC 2230a_100000225621_100153394163 [0,2,0,0,0,0|1,0,1]=4 19681 B12R0.248 C#CCCCCCCCN(C)CC 269982a_100000225621_100153394163 [0,2,0,0,0,0|1,0,1]=4 19682 B12R0.248 C#CCCCCCCNC(C)CC 2230a_100000209981_100012276617 [0,2,0,0,0,0|1,0,1]=4 19683 B12R0.248 C#CCCCCCCN[C@H](C)CO 2230a_100000737577_100012276617 [0,2,0,0,0,0|0,0,2]=4 19684 B12R0.248 C#CCCCCCCOC(C)CC 34a_100011217361_100011215416 [0,2,0,0,0,0|1,0,1]=4 19685 B12R0.248 C#CCCCCCCOC(C)CC 7a_100000210228_100012276617 [0,2,0,0,0,0|1,0,1]=4 19686 B12R0.248 C#CCCCCCCOC(C)CC 7a_100011217361_100000758301 [0,2,0,0,0,0|1,0,1]=4 19687 B12R0.248 C#CCCCCCCOC(C)CO 34a_100011217361_100012180447 [0,2,0,0,0,0|0,0,2]=4 19688 B12R0.248 C#CCCCCCCOC(C)CO 7a_100011217361_100012180447 [0,2,0,0,0,0|0,0,2]=4 19689 B12R0.248 C#CCCCCCCSC(C)CC 62a_100000758301_100012276617 [0,2,0,0,0,0|1,0,1]=4 19690 B12R0.248 C#CCCCCCCSC(C)CC 62a_100012276617_100000758301 [0,2,0,0,0,0|1,0,1]=4 19691 B12R0.248 C#CCCCCCCSC(C)CO 62a_100012180447_100012276617 [0,2,0,0,0,0|0,0,2]=4 19692 B12R0.248 C#CCCCCCCS[C@H](C)CO 62a_100012276617_100016084084 [0,2,0,0,0,0|0,0,2]=4 19693 B12R0.248 C#CCCCCCCS[C@H](C)CO 62a_100016084084_100012276617 [0,2,0,0,0,0|0,0,2]=4 19694 B12R0.248 C#CCCCCCNCC(C)CC 2230a_100020588543_100012094781 [0,2,0,0,0,0|1,0,1]=4 19695 B12R0.248 C#CCCCCCNCC(C)CO 34a_100000744482_100012094781 [0,2,0,0,0,0|0,0,2]=4 19696 B12R0.248 C#CCCCCCNCC(O)CC 2230a_100011218483_100012094781 [0,2,0,0,0,0|1,0,1]=4 19697 B12R0.248 C#CCCCCCNC[C@@H](F)CO 34a_100015665980_100012094781 [0,2,0,0,0,0|0,0,2]=4 19698 B12R0.248 C#CCCCCCNC[C@H](O)CO 2230a_100020644852_100012094781 [0,2,0,0,0,0|0,0,2]=4 19699 B12R0.248 C#CCCCCCOCC(C)CC 34a_100000766912_100000748023 [0,2,0,0,0,0|1,0,1]=4 19700 B12R0.248 C#CCCCCCOCC(C)CC 7a_100000766912_100000748023 [0,2,0,0,0,0|1,0,1]=4 19701 B12R0.248 C#CCCCCCOCC(O)CC 34a_100000766912_100011218378 [0,2,0,0,0,0|1,0,1]=4 19702 B12R0.248 C#CCCCCCOCC(O)CC 7a_100000766912_100011218378 [0,2,0,0,0,0|1,0,1]=4 19703 B12R0.248 C#CCCCCCOCC(O)CO 34a_100000766912_100011219619 [0,2,0,0,0,0|0,0,2]=4 19704 B12R0.248 C#CCCCCCOCC(O)CO 7a_100000766912_100011219619 [0,2,0,0,0,0|0,0,2]=4 19705 B12R0.248 C#CCCCCCOC[C@@H](C)CC 34a_100000766912_100009816398 [0,2,0,0,0,0|1,0,1]=4 19706 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100000766912_100009816398 [0,2,0,0,0,0|1,0,1]=4 19707 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100009816381_100012094781 [0,2,0,0,0,0|1,0,1]=4 19708 B12R0.248 C#CCCCCCOC[C@@H](C)CO 34a_100000766912_100000059175 [0,2,0,0,0,0|0,0,2]=4 19709 B12R0.248 C#CCCCCCOC[C@@H](C)CO 7a_100000766912_100000059175 [0,2,0,0,0,0|0,0,2]=4 19710 B12R0.248 C#CCCCCCOC[C@@H](O)CO 34a_100000766912_100009815848 [0,2,0,0,0,0|0,0,2]=4 19711 B12R0.248 C#CCCCCCOC[C@@H](O)CO 7a_100000766912_100009815848 [0,2,0,0,0,0|0,0,2]=4 19712 B12R0.248 C#CCCCCCSCC(C)CC 62a_100000748023_100012094781 [0,2,0,0,0,0|1,0,1]=4 19713 B12R0.248 C#CCCCCCSCC(C)CC 62a_100012094781_100000748023 [0,2,0,0,0,0|1,0,1]=4 19714 B12R0.248 C#CCCCCCSCC(O)CC 62a_100011218378_100012094781 [0,2,0,0,0,0|1,0,1]=4 19715 B12R0.248 C#CCCCCCSCC(O)CC 62a_100012094781_100011218378 [0,2,0,0,0,0|1,0,1]=4 19716 B12R0.248 C#CCCCCCSCC(O)CO 62a_100011219619_100012094781 [0,2,0,0,0,0|0,0,2]=4 19717 B12R0.248 C#CCCCCCSCC(O)CO 62a_100012094781_100011219619 [0,2,0,0,0,0|0,0,2]=4 19718 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100009816398_100012094781 [0,2,0,0,0,0|1,0,1]=4 19719 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100012094781_100009816398 [0,2,0,0,0,0|1,0,1]=4 19720 B12R0.248 C#CCCCCCSC[C@@H](C)CO 62a_100000059175_100012094781 [0,2,0,0,0,0|0,0,2]=4 19721 B12R0.248 C#CCCCCCSC[C@@H](C)CO 62a_100012094781_100000059175 [0,2,0,0,0,0|0,0,2]=4 19722 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100009815848_100012094781 [0,2,0,0,0,0|0,0,2]=4 19723 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100012094781_100009815848 [0,2,0,0,0,0|0,0,2]=4 19724 B12R0.248 C#CCCCCNCCC(C)CC 2230a_100020591266_100010269958 [0,2,0,0,0,0|1,0,1]=4 19725 B12R0.248 C#CCCCCNCCC(C)CO 2230a_106354213184_100010269958 [0,2,0,0,0,0|0,0,2]=4 19726 B12R0.248 C#CCCCCNCCC(C)CO 34a_106354213184_100010269958 [0,2,0,0,0,0|0,0,2]=4 19727 B12R0.248 C#CCCCCOCCC(C)CC 7a_100011215188_100010269958 [0,2,0,0,0,0|1,0,1]=4 19728 B12R0.248 C#CCCCOCCCC(C)CC 7a_100011216074_100011215417 [0,2,0,0,0,0|1,0,1]=4 19729 B12R0.248 C#CCOCCCCCC(C)CC 7a_200000035636_100000038162 [0,2,0,0,0,0|1,0,1]=4 19730 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,2,0,0,0,0|1,0,1]=4 19731 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,2,0,0,0,0|1,0,1]=4 19732 B12R0.248 C#C[C@@H](C)OCCCCCCCO 34a_100009815206_100000760002 [0,2,0,0,0,0|1,0,0]=3 19733 B12R0.248 C#C[C@@H](C)OCCCCCCCO 7a_100009815206_100000760002 [0,2,0,0,0,0|1,0,0]=3 19734 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|0,0,2]=4 19735 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|0,0,2]=4 19736 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,2,0,0,0,0|1,0,1]=4 19737 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,2,0,0,0,0|1,0,1]=4 19738 B12R0.248 C=CC(C)COCCCCCCF 34a_100011215527_100015922095 [0,2,0,0,0,0|2,0,0]=4 19739 B12R0.248 C=CC(C)COCCCCCCF 7a_100011215527_100015922095 [0,2,0,0,0,0|2,0,0]=4 19740 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,2,0,0,0,0|1,0,0]=3 19741 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,2,0,0,0,0|1,0,0]=3 19742 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,2,0,0,0,0|1,0,1]=4 19743 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,2,0,0,0,0|1,0,0]=3 19744 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,2,0,0,0,0|1,0,1]=4 19745 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,2,0,0,0,0|1,0,0]=3 19746 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,2,0,0,0,0|1,0,0]=3 19747 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,2,0,0,0,0|0,0,2]=4 19748 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,2,0,0,0,0|0,0,2]=4 19749 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,2,0,0,0,0|2,0,0]=4 19750 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,2,0,0,0,0|2,0,0]=4 19751 B12R0.248 C=CC(O)CNCCCOCCC 2230a_100011217757_100000730141 [0,2,0,0,0,0|2,0,0]=4 19752 B12R0.248 C=CC(O)CNCCCOCCC 34a_100011217757_100000730141 [0,2,0,0,0,0|2,0,0]=4 19753 B12R0.248 C=CC(O)CNCCSCCCC 2230a_100025743550_100000730141 [0,2,0,0,0,0|2,0,0]=4 19754 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,2,0,0,0,0|2,0,0]=4 19755 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,2,0,0,0,0|2,0,0]=4 19756 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,2,0,0,0,0|1,0,0]=3 19757 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,2,0,0,0,0|1,0,0]=3 19758 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,2,0,0,0,0|2,0,0]=4 19759 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,2,0,0,0,0|2,0,0]=4 19760 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,2,0,0,0,0|2,0,0]=4 19761 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,2,0,0,0,0|2,0,0]=4 19762 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,2,0,0,0,0|2,0,0]=4 19763 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,2,0,0,0,0|2,0,0]=4 19764 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,2,0,0,0,0|2,0,0]=4 19765 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,2,0,0,0,0|2,0,0]=4 19766 B12R0.248 C=CC(O)COCCSCCCC 34a_200000230436_100000730141 [0,2,0,0,0,0|2,0,0]=4 19767 B12R0.248 C=CC(O)COCCSCCCC 7a_200000230436_100000730141 [0,2,0,0,0,0|2,0,0]=4 19768 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,2,0,0,0,0|1,0,0]=3 19769 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,2,0,0,0,0|1,0,0]=3 19770 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,2,0,0,0,0|2,0,0]=4 19771 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,2,0,0,0,0|2,0,0]=4 19772 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,2,0,0,0,0|0,0,2]=4 19773 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,2,0,0,0,0|0,0,2]=4 19774 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,2,0,0,0,0|2,0,0]=4 19775 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,2,0,0,0,0|2,0,0]=4 19776 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|1,0,1]=4 19777 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|1,0,1]=4 19778 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|0,0,2]=4 19779 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,2,0,0,0,0|1,0,1]=4 19780 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,2,0,0,0,0|1,0,1]=4 19781 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,2,0,0,0,0|1,0,1]=4 19782 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,2,0,0,0,0|0,0,2]=4 19783 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,2,0,0,0,0|1,0,1]=4 19784 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,2,0,0,0,0|1,0,1]=4 19785 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,2,0,0,0,0|1,0,1]=4 19786 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,2,0,0,0,0|0,0,2]=4 19787 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,2,0,0,0,0|0,0,2]=4 19788 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,2,0,0,0,0|1,0,1]=4 19789 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,2,0,0,0,0|1,0,1]=4 19790 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,2,0,0,0,0|0,0,2]=4 19791 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,2,0,0,0,0|0,0,2]=4 19792 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,2,0,0,0,0|0,0,2]=4 19793 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,2,0,0,0,0|1,0,1]=4 19794 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,2,0,0,0,0|0,0,2]=4 19795 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,2,0,0,0,0|1,0,1]=4 19796 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,2,0,0,0,0|0,0,2]=4 19797 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,2,0,0,0,0|0,0,2]=4 19798 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,2,0,0,0,0|1,0,1]=4 19799 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,2,0,0,0,0|1,0,1]=4 19800 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,2,0,0,0,0|1,0,1]=4 19801 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,2,0,0,0,0|1,0,1]=4 19802 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,2,0,0,0,0|0,0,2]=4 19803 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,2,0,0,0,0|0,0,2]=4 19804 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,2,0,0,0,0|1,0,1]=4 19805 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,2,0,0,0,0|1,0,1]=4 19806 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,2,0,0,0,0|1,0,1]=4 19807 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,2,0,0,0,0|0,0,2]=4 19808 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,2,0,0,0,0|0,0,2]=4 19809 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,2,0,0,0,0|0,0,2]=4 19810 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,2,0,0,0,0|0,0,2]=4 19811 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,2,0,0,0,0|1,0,1]=4 19812 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,2,0,0,0,0|1,0,1]=4 19813 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,2,0,0,0,0|1,0,1]=4 19814 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,2,0,0,0,0|1,0,1]=4 19815 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,2,0,0,0,0|0,0,2]=4 19816 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,2,0,0,0,0|0,0,2]=4 19817 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,2,0,0,0,0|1,0,1]=4 19818 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,2,0,0,0,0|1,0,1]=4 19819 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,2,0,0,0,0|0,0,2]=4 19820 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,2,0,0,0,0|0,0,2]=4 19821 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,2,0,0,0,0|0,0,2]=4 19822 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,2,0,0,0,0|0,0,2]=4 19823 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,2,0,0,0,0|1,0,1]=4 19824 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,2,0,0,0,0|0,0,2]=4 19825 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,2,0,0,0,0|0,0,2]=4 19826 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,2,0,0,0,0|1,0,1]=4 19827 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,2,0,0,0,0|1,0,1]=4 19828 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,2,0,0,0,0|1,0,1]=4 19829 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|1,0,1]=4 19830 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,2,0,0,0,0|0,0,2]=4 19831 B12R0.248 CC(C#N)NCCCCCCCO 2230a_100000737613_100000760002 [0,2,0,0,0,0|1,0,0]=3 19832 B12R0.248 CC(C#N)NCCCCCCCO 2230a_100011996573_100000184139 [0,2,0,0,0,0|1,0,0]=3 19833 B12R0.248 CC(C#N)NCCCOCCCO 2230a_100011310245_100000184139 [0,2,0,0,0,0|2,0,0]=4 19834 B12R0.248 CC(C#N)OCCCCCCCBr 7a_100000760002_100000703298 [0,2,0,0,0,0|2,0,0]=4 19835 B12R0.248 CC(C#N)OCCCCCCCO 34a_100011218135_100000760002 [0,2,0,0,0,0|1,0,0]=3 19836 B12R0.248 CC(C#N)SCCCCCCCO 62a_100000703298_100000760002 [0,2,0,0,0,0|1,0,0]=3 19837 B12R0.248 CC(C#N)SCCCCCCCO 62a_100000760002_100000703298 [0,2,0,0,0,0|1,0,0]=3 19838 B12R0.248 CC(CF)OCCCCCCCO 34a_100016041109_100000760002 [0,2,0,0,0,0|1,0,0]=3 19839 B12R0.248 CC(CF)OCCCCCCCO 7a_100016041109_100000760002 [0,2,0,0,0,0|1,0,0]=3 19840 B12R0.248 CC(CN)COCCCCCCF 34a_100000744482_100015922095 [0,2,0,0,0,0|2,0,0]=4 19841 B12R0.248 CC(CN)COCCCCCCO 34a_100000744482_100000766143 [0,2,0,0,0,0|1,0,0]=3 19842 B12R0.248 CC(CN)OCCCCCCCO 34a_100000210904_100000760002 [0,2,0,0,0,0|1,0,0]=3 19843 B12R0.248 CC(CO)CCNCCCCC#N 2230a_106354213184_100000211819 [0,2,0,0,0,0|1,0,1]=4 19844 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [0,2,0,0,0,0|1,0,1]=4 19845 B12R0.248 CC(CO)CCNCCCCCF 2230a_106354213184_100000729378 [0,2,0,0,0,0|1,0,0]=3 19846 B12R0.248 CC(CO)CCNCCCCCF 34a_106354213184_100000729378 [0,2,0,0,0,0|1,0,0]=3 19847 B12R0.248 CC(CO)CCNCCCCCO 2230a_106354213184_100000746330 [0,2,0,0,0,0|1,0,0]=3 19848 B12R0.248 CC(CO)CCNCCCCCO 34a_106354213184_100000746330 [0,2,0,0,0,0|1,0,0]=3 19849 B12R0.248 CC(CO)CCNCCOCCO 2230a_106354213184_100011215305 [0,2,0,0,0,0|2,0,0]=4 19850 B12R0.248 CC(CO)CCNCCOCCO 34a_106354213184_100000692535 [0,2,0,0,0,0|2,0,0]=4 19851 B12R0.248 CC(CO)CNCCCCCCF 34a_100000744482_100015922095 [0,2,0,0,0,0|1,0,0]=3 19852 B12R0.248 CC(CO)CNCCCCCCO 34a_100000744482_100000766143 [0,2,0,0,0,0|1,0,0]=3 19853 B12R0.248 CC(CO)NCCCCCCCO 2230a_100011996573_100012180447 [0,2,0,0,0,0|1,0,0]=3 19854 B12R0.248 CC(CO)NCCCCCCCO 34a_100011996573_100012180447 [0,2,0,0,0,0|1,0,0]=3 19855 B12R0.248 CC(CO)NCCCOCCCO 2230a_100011310245_100012180447 [0,2,0,0,0,0|2,0,0]=4 19856 B12R0.248 CC(CO)NCCCOCCCO 34a_100011310245_100012180447 [0,2,0,0,0,0|2,0,0]=4 19857 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,2,0,0,0,0|1,0,0]=3 19858 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,2,0,0,0,0|1,0,0]=3 19859 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,2,0,0,0,0|1,0,0]=3 19860 B12R0.248 CC(CO)OCCCOCCCN 34a_100011310245_100012180447 [0,2,0,0,0,0|2,0,0]=4 19861 B12R0.248 CC(CO)SCCCCCCC#N 62a_100012180447_100009813337 [0,2,0,0,0,0|1,0,1]=4 19862 B12R0.248 CC(CO)SCCCCCCCO 62a_100012180447_100000760002 [0,2,0,0,0,0|1,0,0]=3 19863 B12R0.248 CC/C=C/CCCOCC(O)CO 34a_100016287902_100011219619 [0,2,0,0,0,0|0,0,2]=4 19864 B12R0.248 CC/C=C/CCCOCC(O)CO 7a_100016287902_100011219619 [0,2,0,0,0,0|0,0,2]=4 19865 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 34a_100016287902_100000059175 [0,2,0,0,0,0|0,0,2]=4 19866 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 7a_100016287902_100000059175 [0,2,0,0,0,0|0,0,2]=4 19867 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 34a_100016287902_100009815848 [0,2,0,0,0,0|0,0,2]=4 19868 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 7a_100016287902_100009815848 [0,2,0,0,0,0|0,0,2]=4 19869 B12R0.248 CC/C=C\CCCCOC(C)CO 34a_100016287862_100012180447 [0,2,0,0,0,0|0,0,2]=4 19870 B12R0.248 CC/C=C\CCCCOC(C)CO 7a_100016287862_100012180447 [0,2,0,0,0,0|0,0,2]=4 19871 B12R0.248 CC/C=C\CCNCCC(C)CO 2230a_106354213184_100015370543 [0,2,0,0,0,0|0,0,2]=4 19872 B12R0.248 CC/C=C\CCNCCC(C)CO 34a_106354213184_100015370543 [0,2,0,0,0,0|0,0,2]=4 19873 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|0,0,0]=2 19874 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,2,0,0,0,0|1,0,1]=4 19875 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,2,0,0,0,0|1,0,1]=4 19876 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|1,0,1]=4 19877 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|1,0,1]=4 19878 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|1,0,1]=4 19879 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|1,0,1]=4 19880 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|0,0,1]=3 19881 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|1,0,1]=4 19882 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|1,0,1]=4 19883 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|0,0,1]=3 19884 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|0,0,1]=3 19885 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|0,0,1]=3 19886 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,2,0,0,0,0|1,0,1]=4 19887 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,2,0,0,0,0|1,0,1]=4 19888 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,2,0,0,0,0|1,0,1]=4 19889 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,2,0,0,0,0|1,0,1]=4 19890 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,2,0,0,0,0|1,0,1]=4 19891 B12R0.248 CCC(C)CCCCCOCC#N 7a_200000035636_100011215382 [0,2,0,0,0,0|1,0,1]=4 19892 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,2,0,0,0,0|0,0,2]=4 19893 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,2,0,0,0,0|1,0,0]=3 19894 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,2,0,0,0,0|0,0,0]=2 19895 B12R0.248 CCC(C)CCCOCC#CCO 7a_100011216074_200000047223 [0,2,0,0,0,0|0,0,2]=4 19896 B12R0.248 CCC(C)CCCOCCCC#N 7a_100011216074_100000687738 [0,2,0,0,0,0|1,0,1]=4 19897 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,2,0,0,0,0|0,0,2]=4 19898 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,2,0,0,0,0|1,0,0]=3 19899 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,2,0,0,0,0|0,0,0]=2 19900 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,2,0,0,0,0|1,0,0]=3 19901 B12R0.248 CCC(C)CCNCCCCC#N 2230a_100020591266_100000211819 [0,2,0,0,0,0|1,0,1]=4 19902 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,2,0,0,0,0|0,0,2]=4 19903 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,2,0,0,0,0|1,0,0]=3 19904 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,2,0,0,0,0|0,0,0]=2 19905 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,2,0,0,0,0|1,0,0]=3 19906 B12R0.248 CCC(C)CCNCCOCCO 2230a_100020591266_100011215305 [0,2,0,0,0,0|1,0,0]=3 19907 B12R0.248 CCC(C)CCNCOCCOC 2230a_100020591266_100000231047 [0,2,0,0,0,0|2,0,0]=4 19908 B12R0.248 CCC(C)CCOCCCCC#N 7a_100011215188_100000211819 [0,2,0,0,0,0|1,0,1]=4 19909 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,2,0,0,0,0|0,0,2]=4 19910 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,2,0,0,0,0|1,0,0]=3 19911 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,2,0,0,0,0|0,0,0]=2 19912 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,2,0,0,0,0|1,0,0]=3 19913 B12R0.248 CCC(C)CCOCCOCCO 7a_100011215188_100011215305 [0,2,0,0,0,0|1,0,0]=3 19914 B12R0.248 CCC(C)CNCCCCCC#N 2230a_100020588543_100009813376 [0,2,0,0,0,0|1,0,1]=4 19915 B12R0.248 CCC(C)CNCCCCCC#N 270004a_100000061152_100000243153 [0,2,0,0,0,0|1,0,1]=4 19916 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,2,0,0,0,0|0,0,2]=4 19917 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,2,0,0,0,0|1,0,0]=3 19918 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,2,0,0,0,0|0,0,0]=2 19919 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,2,0,0,0,0|0,0,0]=2 19920 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,2,0,0,0,0|0,0,0]=2 19921 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,2,0,0,0,0|0,0,0]=2 19922 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,2,0,0,0,0|1,0,0]=3 19923 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,2,0,0,0,0|1,0,0]=3 19924 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,2,0,0,0,0|1,0,0]=3 19925 B12R0.248 CCC(C)CNCCOCCOC 2230a_100000745349_100000748023 [0,2,0,0,0,0|2,0,0]=4 19926 B12R0.248 CCC(C)CNCCOCCOC 2230a_100020588543_100000695917 [0,2,0,0,0,0|2,0,0]=4 19927 B12R0.248 CCC(C)CNCCOCCOC 270004a_100000745349_100000243153 [0,2,0,0,0,0|2,0,0]=4 19928 B12R0.248 CCC(C)CNCCOCCOC 34a_100000745349_100000748023 [0,2,0,0,0,0|2,0,0]=4 19929 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,2,0,0,0,0|1,0,0]=3 19930 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,2,0,0,0,0|1,0,0]=3 19931 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,2,0,0,0,0|1,0,0]=3 19932 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,2,0,0,0,0|1,0,0]=3 19933 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,2,0,0,0,0|1,0,0]=3 19934 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,2,0,0,0,0|1,0,0]=3 19935 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,2,0,0,0,0|1,0,0]=3 19936 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,2,0,0,0,0|2,0,0]=4 19937 B12R0.248 CCC(C)COCCOCCOC 34a_100011215163_100000748023 [0,2,0,0,0,0|2,0,0]=4 19938 B12R0.248 CCC(C)COCCOCCOC 7a_100011215163_100000748023 [0,2,0,0,0,0|2,0,0]=4 19939 B12R0.248 CCC(C)CSCCCCCC#N 62a_100000748023_100009813376 [0,2,0,0,0,0|1,0,1]=4 19940 B12R0.248 CCC(C)CSCCCCCC#N 62a_100009813376_100000748023 [0,2,0,0,0,0|1,0,1]=4 19941 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,2,0,0,0,0|0,0,2]=4 19942 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,2,0,0,0,0|0,0,2]=4 19943 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,2,0,0,0,0|1,0,0]=3 19944 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,2,0,0,0,0|1,0,0]=3 19945 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,2,0,0,0,0|0,0,0]=2 19946 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,2,0,0,0,0|0,0,0]=2 19947 B12R0.248 CCC(C)CSCCOCCOC 62a_100000695917_100000748023 [0,2,0,0,0,0|2,0,0]=4 19948 B12R0.248 CCC(C)CSCCOCCOC 62a_100000748023_100000695917 [0,2,0,0,0,0|2,0,0]=4 19949 B12R0.248 CCC(C)NCCCCCCC#N 2230a_100000209981_100009813337 [0,2,0,0,0,0|1,0,1]=4 19950 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,2,0,0,0,0|0,0,0]=2 19951 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,2,0,0,0,0|0,0,0]=2 19952 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,2,0,0,0,0|0,0,0]=2 19953 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,2,0,0,0,0|1,0,0]=3 19954 B12R0.248 CCC(C)NCCCOCCCO 2230a_100011310245_100000758301 [0,2,0,0,0,0|1,0,0]=3 19955 B12R0.248 CCC(C)NCCCOCCCO 34a_100011310245_100011215416 [0,2,0,0,0,0|1,0,0]=3 19956 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000206027_100000758301 [0,2,0,0,0,0|2,0,0]=4 19957 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000209981_100011216529 [0,2,0,0,0,0|2,0,0]=4 19958 B12R0.248 CCC(C)NCCCOCCOC 34a_100000206027_100011215416 [0,2,0,0,0,0|2,0,0]=4 19959 B12R0.248 CCC(C)OCCCCCCC#N 7a_100000210228_100009813337 [0,2,0,0,0,0|1,0,1]=4 19960 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,2,0,0,0,0|1,0,0]=3 19961 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,2,0,0,0,0|1,0,0]=3 19962 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,0]=3 19963 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,2,0,0,0,0|0,0,0]=2 19964 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,2,0,0,0,0|1,0,0]=3 19965 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,2,0,0,0,0|1,0,0]=3 19966 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,2,0,0,0,0|1,0,0]=3 19967 B12R0.248 CCC(C)OCCCOCCCN 34a_100011310245_100011215416 [0,2,0,0,0,0|2,0,0]=4 19968 B12R0.248 CCC(C)OCCCOCCOC 7a_100000210228_100011216529 [0,2,0,0,0,0|2,0,0]=4 19969 B12R0.248 CCC(C)SCCCCCCC#N 62a_100000758301_100009813337 [0,2,0,0,0,0|1,0,1]=4 19970 B12R0.248 CCC(C)SCCCCCCC#N 62a_100009813337_100000758301 [0,2,0,0,0,0|1,0,1]=4 19971 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,2,0,0,0,0|0,0,0]=2 19972 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,2,0,0,0,0|0,0,0]=2 19973 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,2,0,0,0,0|1,0,0]=3 19974 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,2,0,0,0,0|1,0,0]=3 19975 B12R0.248 CCC(C)SCCCOCCOC 62a_100000758301_100011216529 [0,2,0,0,0,0|2,0,0]=4 19976 B12R0.248 CCC(C)SCCCOCCOC 62a_100011216529_100000758301 [0,2,0,0,0,0|2,0,0]=4 19977 B12R0.248 CCC(O)CNCCCCCC#N 2230a_100011218483_100009813376 [0,2,0,0,0,0|1,0,1]=4 19978 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,2,0,0,0,0|0,0,2]=4 19979 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,2,0,0,0,0|1,0,0]=3 19980 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,2,0,0,0,0|0,0,0]=2 19981 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,2,0,0,0,0|0,0,0]=2 19982 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,0]=2 19983 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,2,0,0,0,0|1,0,0]=3 19984 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,2,0,0,0,0|1,0,0]=3 19985 B12R0.248 CCC(O)CNCCOCCOC 2230a_100000745349_100011218378 [0,2,0,0,0,0|2,0,0]=4 19986 B12R0.248 CCC(O)CNCCOCCOC 2230a_100011218483_100000695917 [0,2,0,0,0,0|2,0,0]=4 19987 B12R0.248 CCC(O)CNCCOCCOC 34a_100000745349_100011218378 [0,2,0,0,0,0|2,0,0]=4 19988 B12R0.248 CCC(O)CNN=CCCCCO 4a_100015206393_100000031955 [0,2,0,0,0,0|1,0,1]=4 19989 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,2,0,0,0,0|1,0,0]=3 19990 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,2,0,0,0,0|1,0,0]=3 19991 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,2,0,0,0,0|1,0,0]=3 19992 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,2,0,0,0,0|1,0,0]=3 19993 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,2,0,0,0,0|1,0,0]=3 19994 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,2,0,0,0,0|1,0,0]=3 19995 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,2,0,0,0,0|1,0,0]=3 19996 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,2,0,0,0,0|2,0,0]=4 19997 B12R0.248 CCC(O)COCCOCCOC 34a_100011215163_100011218378 [0,2,0,0,0,0|2,0,0]=4 19998 B12R0.248 CCC(O)COCCOCCOC 7a_100011215163_100011218378 [0,2,0,0,0,0|2,0,0]=4 19999 B12R0.248 CCC(O)CSCCCCCC#N 62a_100009813376_100011218378 [0,2,0,0,0,0|1,0,1]=4 20000 B12R0.248 CCC(O)CSCCCCCC#N 62a_100011218378_100009813376 [0,2,0,0,0,0|1,0,1]=4 20001 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,2,0,0,0,0|0,0,2]=4 20002 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,2,0,0,0,0|0,0,2]=4 20003 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,2,0,0,0,0|1,0,0]=3 20004 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,2,0,0,0,0|1,0,0]=3 20005 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,2,0,0,0,0|0,0,0]=2 20006 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,2,0,0,0,0|0,0,0]=2 20007 B12R0.248 CCC(O)CSCCOCCOC 62a_100000695917_100011218378 [0,2,0,0,0,0|2,0,0]=4 20008 B12R0.248 CCC(O)CSCCOCCOC 62a_100011218378_100000695917 [0,2,0,0,0,0|2,0,0]=4 20009 B12R0.248 CCCC#CCCOCC(O)CO 34a_100000042726_100011219619 [0,2,0,0,0,0|0,0,2]=4 20010 B12R0.248 CCCC#CCCOCC(O)CO 7a_100000042726_100011219619 [0,2,0,0,0,0|0,0,2]=4 20011 B12R0.248 CCCC#CCCOC[C@@H](C)CO 34a_100000042726_100000059175 [0,2,0,0,0,0|0,0,2]=4 20012 B12R0.248 CCCC#CCCOC[C@@H](C)CO 7a_100000042726_100000059175 [0,2,0,0,0,0|0,0,2]=4 20013 B12R0.248 CCCC#CCCOC[C@@H](O)CO 34a_100000042726_100009815848 [0,2,0,0,0,0|0,0,2]=4 20014 B12R0.248 CCCC#CCCOC[C@@H](O)CO 7a_100000042726_100009815848 [0,2,0,0,0,0|0,0,2]=4 20015 B12R0.248 CCCC/C=C/COCC(O)CO 34a_200016272032_100011219619 [0,2,0,0,0,0|0,0,2]=4 20016 B12R0.248 CCCC/C=C/COCC(O)CO 7a_200016272032_100011219619 [0,2,0,0,0,0|0,0,2]=4 20017 B12R0.248 CCCC/C=C/COC[C@@H](C)CO 34a_200016272032_100000059175 [0,2,0,0,0,0|0,0,2]=4 20018 B12R0.248 CCCC/C=C/COC[C@@H](C)CO 7a_200016272032_100000059175 [0,2,0,0,0,0|0,0,2]=4 20019 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 34a_200016272032_100009815848 [0,2,0,0,0,0|0,0,2]=4 20020 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 7a_200016272032_100009815848 [0,2,0,0,0,0|0,0,2]=4 20021 B12R0.248 CCCC/C=C\CCOC(C)CO 34a_200016286491_100012180447 [0,2,0,0,0,0|0,0,2]=4 20022 B12R0.248 CCCC/C=C\CCOC(C)CO 7a_200016286491_100012180447 [0,2,0,0,0,0|0,0,2]=4 20023 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|0,0,2]=4 20024 B12R0.248 CCCCC#CCCOC(C)CO 34a_100000037610_100012180447 [0,2,0,0,0,0|0,0,2]=4 20025 B12R0.248 CCCCC#CCCOC(C)CO 7a_100000037610_100012180447 [0,2,0,0,0,0|0,0,2]=4 20026 B12R0.248 CCCCC#CCOCC(O)CO 34a_200000034558_100011219619 [0,2,0,0,0,0|0,0,2]=4 20027 B12R0.248 CCCCC#CCOCC(O)CO 7a_200000034558_100011219619 [0,2,0,0,0,0|0,0,2]=4 20028 B12R0.248 CCCCC#CCOC[C@@H](C)CO 34a_200000034558_100000059175 [0,2,0,0,0,0|0,0,2]=4 20029 B12R0.248 CCCCC#CCOC[C@@H](C)CO 7a_200000034558_100000059175 [0,2,0,0,0,0|0,0,2]=4 20030 B12R0.248 CCCCC#CCOC[C@@H](O)CO 34a_200000034558_100009815848 [0,2,0,0,0,0|0,0,2]=4 20031 B12R0.248 CCCCC#CCOC[C@@H](O)CO 7a_200000034558_100009815848 [0,2,0,0,0,0|0,0,2]=4 20032 B12R0.248 CCCCC/C=C/COC(C)CO 34a_100016258190_100012180447 [0,2,0,0,0,0|0,0,2]=4 20033 B12R0.248 CCCCC/C=C/COC(C)CO 7a_100016258190_100012180447 [0,2,0,0,0,0|0,0,2]=4 20034 B12R0.248 CCCCCC#CCN[C@H](C)CO 2230a_100000737577_100009816472 [0,2,0,0,0,0|0,0,2]=4 20035 B12R0.248 CCCCCC#CCOC(C)CO 34a_200000033628_100012180447 [0,2,0,0,0,0|0,0,2]=4 20036 B12R0.248 CCCCCC#CCOC(C)CO 7a_200000033628_100012180447 [0,2,0,0,0,0|0,0,2]=4 20037 B12R0.248 CCCCCC#CCSC(C)CO 62a_100012180447_100009816472 [0,2,0,0,0,0|0,0,2]=4 20038 B12R0.248 CCCCCC#CCS[C@H](C)CO 62a_100009816472_100016084084 [0,2,0,0,0,0|0,0,2]=4 20039 B12R0.248 CCCCCC#CCS[C@H](C)CO 62a_100016084084_100009816472 [0,2,0,0,0,0|0,0,2]=4 20040 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|1,0,0]=3 20041 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|1,0,0]=3 20042 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|1,0,0]=3 20043 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|0,0,0]=2 20044 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|0,0,2]=4 20045 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|0,0,2]=4 20046 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|0,0,2]=4 20047 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|0,0,2]=4 20048 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,2,0,0,0,0|1,0,0]=3 20049 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,2,0,0,0,0|0,0,0]=2 20050 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,2,0,0,0,0|0,0,0]=2 20051 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,2,0,0,0,0|0,0,0]=2 20052 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,2,0,0,0,0|0,0,0]=2 20053 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,2,0,0,0,0|1,0,0]=3 20054 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,2,0,0,0,0|1,0,0]=3 20055 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,2,0,0,0,0|1,0,0]=3 20056 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,2,0,0,0,0|1,0,0]=3 20057 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,2,0,0,0,0|1,0,0]=3 20058 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|1,0,1]=4 20059 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|1,0,1]=4 20060 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|1,0,1]=4 20061 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|1,0,1]=4 20062 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|0,0,1]=3 20063 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|0,0,1]=3 20064 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,2,0,0,0,0|1,0,1]=4 20065 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,2,0,0,0,0|1,0,1]=4 20066 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,2,0,0,0,0|1,0,0]=3 20067 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,2,0,0,0,0|1,0,0]=3 20068 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,2,0,0,0,0|1,0,0]=3 20069 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,2,0,0,0,0|0,0,0]=2 20070 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,2,0,0,0,0|0,0,0]=2 20071 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,2,0,0,0,0|0,0,0]=2 20072 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,2,0,0,0,0|1,0,1]=4 20073 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,2,0,0,0,0|1,0,1]=4 20074 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,2,0,0,0,0|1,0,0]=3 20075 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,2,0,0,0,0|1,0,0]=3 20076 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,2,0,0,0,0|1,0,0]=3 20077 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,2,0,0,0,0|1,0,0]=3 20078 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,2,0,0,0,0|1,0,0]=3 20079 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,2,0,0,0,0|1,0,0]=3 20080 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,2,0,0,0,0|0,0,0]=2 20081 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,2,0,0,0,0|0,0,0]=2 20082 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,2,0,0,0,0|1,0,1]=4 20083 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,2,0,0,0,0|1,0,1]=4 20084 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,2,0,0,0,0|1,0,0]=3 20085 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,2,0,0,0,0|1,0,0]=3 20086 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,2,0,0,0,0|0,0,0]=2 20087 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,2,0,0,0,0|1,0,0]=3 20088 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,2,0,0,0,0|1,0,0]=3 20089 B12R0.248 CCCCCCCCSC(F)C#N 62a_100000210759_200000117898 [0,2,0,0,0,0|1,0,1]=4 20090 B12R0.248 CCCCCCCCSC(F)C#N 62a_200000117898_100000210317 [0,2,0,0,0,0|1,0,1]=4 20091 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,2,0,0,0,0|0,0,0]=2 20092 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,2,0,0,0,0|0,0,0]=2 20093 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|1,0,1]=4 20094 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,2,0,0,0,0|1,0,0]=3 20095 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,2,0,0,0,0|1,0,0]=3 20096 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,2,0,0,0,0|1,0,0]=3 20097 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,2,0,0,0,0|0,0,0]=2 20098 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,2,0,0,0,0|1,0,0]=3 20099 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,2,0,0,0,0|1,0,0]=3 20100 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,2,0,0,0,0|0,0,0]=2 20101 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,2,0,0,0,0|1,0,0]=3 20102 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,2,0,0,0,0|0,0,0]=2 20103 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,2,0,0,0,0|1,0,0]=3 20104 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,2,0,0,0,0|0,0,0]=2 20105 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,2,0,0,0,0|1,0,0]=3 20106 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,2,0,0,0,0|0,0,0]=2 20107 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,2,0,0,0,0|0,0,0]=2 20108 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|1,0,1]=4 20109 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|1,0,1]=4 20110 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|1,0,1]=4 20111 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|1,0,1]=4 20112 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,2,0,0,0,0|1,0,0]=3 20113 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,2,0,0,0,0|1,0,0]=3 20114 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,2,0,0,0,0|1,0,0]=3 20115 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,2,0,0,0,0|1,0,0]=3 20116 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,2,0,0,0,0|1,0,0]=3 20117 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|1,0,0]=3 20118 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|1,0,0]=3 20119 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,2,0,0,0,0|0,0,0]=2 20120 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,2,0,0,0,0|0,0,0]=2 20121 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,2,0,0,0,0|1,0,0]=3 20122 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,2,0,0,0,0|1,0,0]=3 20123 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,2,0,0,0,0|1,0,0]=3 20124 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,2,0,0,0,0|0,0,0]=2 20125 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,2,0,0,0,0|0,0,0]=2 20126 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,2,0,0,0,0|1,0,0]=3 20127 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,2,0,0,0,0|1,0,0]=3 20128 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,2,0,0,0,0|0,0,0]=2 20129 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,2,0,0,0,0|0,0,0]=2 20130 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,2,0,0,0,0|1,0,0]=3 20131 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|1,0,1]=4 20132 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|1,0,1]=4 20133 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|1,0,1]=4 20134 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|1,0,1]=4 20135 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,2,0,0,0,0|1,0,0]=3 20136 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,2,0,0,0,0|1,0,0]=3 20137 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,2,0,0,0,0|1,0,0]=3 20138 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,2,0,0,0,0|1,0,0]=3 20139 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,2,0,0,0,0|0,0,0]=2 20140 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,2,0,0,0,0|0,0,0]=2 20141 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,2,0,0,0,0|1,0,0]=3 20142 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,2,0,0,0,0|1,0,0]=3 20143 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,2,0,0,0,0|0,0,0]=2 20144 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,2,0,0,0,0|0,0,0]=2 20145 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,2,0,0,0,0|1,0,0]=3 20146 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,2,0,0,0,0|1,0,0]=3 20147 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,2,0,0,0,0|0,0,0]=2 20148 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,2,0,0,0,0|0,0,0]=2 20149 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|1,0,1]=4 20150 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,2,0,0,0,0|1,0,0]=3 20151 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,2,0,0,0,0|0,0,0]=2 20152 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,2,0,0,0,0|0,0,0]=2 20153 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,2,0,0,0,0|1,0,1]=4 20154 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|1,0,1]=4 20155 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|1,0,1]=4 20156 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,2,0,0,0,0|1,0,0]=3 20157 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,2,0,0,0,0|1,0,0]=3 20158 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|1,0,1]=4 20159 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|1,0,1]=4 20160 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|1,0,1]=4 20161 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,2,0,0,0,0|2,0,0]=4 20162 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,2,0,0,0,0|2,0,0]=4 20163 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,2,0,0,0,0|1,0,0]=3 20164 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|1,0,1]=4 20165 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|1,0,1]=4 20166 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,2,0,0,0,0|1,0,0]=3 20167 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,2,0,0,0,0|2,0,0]=4 20168 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,2,0,0,0,0|1,0,0]=3 20169 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,2,0,0,0,0|2,0,0]=4 20170 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,2,0,0,0,0|2,0,0]=4 20171 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,2,0,0,0,0|1,0,0]=3 20172 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,2,0,0,0,0|1,0,0]=3 20173 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|1,0,1]=4 20174 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|1,0,1]=4 20175 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,2,0,0,0,0|2,0,0]=4 20176 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|1,0,1]=4 20177 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|1,0,1]=4 20178 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|1,0,1]=4 20179 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|1,0,1]=4 20180 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|1,0,1]=4 20181 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|1,0,1]=4 20182 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|1,0,1]=4 20183 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|1,0,1]=4 20184 B12R0.248 CCCCOCCCNC(C)CC 2230a_200000211371_100000758301 [0,2,0,0,0,0|2,0,0]=4 20185 B12R0.248 CCCCOCCCNC(C)CC 34a_200000211371_100011215416 [0,2,0,0,0,0|2,0,0]=4 20186 B12R0.248 CCCCOCCCNC(C)CO 2230a_200000211371_100012180447 [0,2,0,0,0,0|1,0,0]=3 20187 B12R0.248 CCCCOCCCNC(C)CO 34a_200000211371_100012180447 [0,2,0,0,0,0|1,0,0]=3 20188 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,2,0,0,0,0|2,0,0]=4 20189 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,2,0,0,0,0|2,0,0]=4 20190 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,2,0,0,0,0|1,0,0]=3 20191 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,2,0,0,0,0|1,0,0]=3 20192 B12R0.248 CCCCOCCNCC(C)CC 2230a_100020588543_100000743108 [0,2,0,0,0,0|2,0,0]=4 20193 B12R0.248 CCCCOCCNCC(C)CO 34a_100000744482_100000743108 [0,2,0,0,0,0|1,0,0]=3 20194 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,2,0,0,0,0|2,0,0]=4 20195 B12R0.248 CCCCOCCNC[C@@H](C)OC 2230a_100020591295_100000743108 [0,2,0,0,0,0|2,0,0]=4 20196 B12R0.248 CCCCOCCNC[C@@H](F)CO 34a_100015665980_100000743108 [0,2,0,0,0,0|1,0,0]=3 20197 B12R0.248 CCCCOCCNC[C@H](O)CO 2230a_100020644852_100000743108 [0,2,0,0,0,0|1,0,0]=3 20198 B12R0.248 CCCCOCCOCC(C)CC 34a_100000210238_100000748023 [0,2,0,0,0,0|2,0,0]=4 20199 B12R0.248 CCCCOCCOCC(C)CC 7a_100000210238_100000748023 [0,2,0,0,0,0|2,0,0]=4 20200 B12R0.248 CCCCOCCOCC(C)CN 34a_100000744482_100000743108 [0,2,0,0,0,0|2,0,0]=4 20201 B12R0.248 CCCCOCCOCC(C)OC 34a_100000690652_100000743108 [0,2,0,0,0,0|2,0,0]=4 20202 B12R0.248 CCCCOCCOCC(Cl)CCl 34a_100000033668_100000743108 [0,2,0,0,0,0|2,0,0]=4 20203 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,2,0,0,0,0|2,0,0]=4 20204 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,2,0,0,0,0|2,0,0]=4 20205 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [0,2,0,0,0,0|1,0,0]=3 20206 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [0,2,0,0,0,0|1,0,0]=3 20207 B12R0.248 CCCCOCCOC[C@@H](C)CC 34a_100000210238_100009816398 [0,2,0,0,0,0|2,0,0]=4 20208 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100000210238_100009816398 [0,2,0,0,0,0|2,0,0]=4 20209 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100009816381_100000743108 [0,2,0,0,0,0|2,0,0]=4 20210 B12R0.248 CCCCOCCOC[C@@H](C)CO 34a_100000210238_100000059175 [0,2,0,0,0,0|1,0,0]=3 20211 B12R0.248 CCCCOCCOC[C@@H](C)CO 7a_100000210238_100000059175 [0,2,0,0,0,0|1,0,0]=3 20212 B12R0.248 CCCCOCCOC[C@@H](O)CF 34a_100000210238_100015614560 [0,2,0,0,0,0|2,0,0]=4 20213 B12R0.248 CCCCOCCOC[C@@H](O)CF 7a_100000210238_100015614560 [0,2,0,0,0,0|2,0,0]=4 20214 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [0,2,0,0,0,0|1,0,0]=3 20215 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [0,2,0,0,0,0|1,0,0]=3 20216 B12R0.248 CCCCOCCOC[C@H](F)CN 34a_100015665980_100000743108 [0,2,0,0,0,0|2,0,0]=4 20217 B12R0.248 CCCCOCCSCC(C)CC 62a_100000743108_100000748023 [0,2,0,0,0,0|2,0,0]=4 20218 B12R0.248 CCCCOCCSCC(C)CC 62a_100000748023_100000743108 [0,2,0,0,0,0|2,0,0]=4 20219 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,2,0,0,0,0|2,0,0]=4 20220 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,2,0,0,0,0|2,0,0]=4 20221 B12R0.248 CCCCOCCSCC(O)CO 62a_100000743108_100011219619 [0,2,0,0,0,0|1,0,0]=3 20222 B12R0.248 CCCCOCCSCC(O)CO 62a_100011219619_100000743108 [0,2,0,0,0,0|1,0,0]=3 20223 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100000743108_100009816398 [0,2,0,0,0,0|2,0,0]=4 20224 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100009816398_100000743108 [0,2,0,0,0,0|2,0,0]=4 20225 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000059175_100000743108 [0,2,0,0,0,0|1,0,0]=3 20226 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000743108_100000059175 [0,2,0,0,0,0|1,0,0]=3 20227 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100000743108_100015614560 [0,2,0,0,0,0|2,0,0]=4 20228 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100015614560_100000743108 [0,2,0,0,0,0|2,0,0]=4 20229 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100000743108_100009815848 [0,2,0,0,0,0|1,0,0]=3 20230 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100009815848_100000743108 [0,2,0,0,0,0|1,0,0]=3 20231 B12R0.248 CCCCOCNCCC(C)CC 2230a_100020591266_100011995733 [0,2,0,0,0,0|2,0,0]=4 20232 B12R0.248 CCCCOCNCCC(C)CO 2230a_106354213184_100011995733 [0,2,0,0,0,0|1,0,0]=3 20233 B12R0.248 CCCCOCNCCC(C)CO 34a_106354213184_100011995733 [0,2,0,0,0,0|1,0,0]=3 20234 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|1,0,1]=4 20235 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|1,0,1]=4 20236 B12R0.248 CCCCSCCNCC(C)CC 2230a_100025743550_100000748023 [0,2,0,0,0,0|2,0,0]=4 20237 B12R0.248 CCCCSCCNCC(C)CC 270004a_100025743550_100000243153 [0,2,0,0,0,0|2,0,0]=4 20238 B12R0.248 CCCCSCCNCC(O)CC 2230a_100025743550_100011218378 [0,2,0,0,0,0|2,0,0]=4 20239 B12R0.248 CCCCSCCNCC(O)CO 2230a_100025743550_100011219619 [0,2,0,0,0,0|1,0,0]=3 20240 B12R0.248 CCCCSCCNC[C@@H](C)CC 2230a_100025743550_100009816398 [0,2,0,0,0,0|2,0,0]=4 20241 B12R0.248 CCCCSCCNC[C@@H](C)CO 2230a_100025743550_100000059175 [0,2,0,0,0,0|1,0,0]=3 20242 B12R0.248 CCCCSCCNC[C@@H](O)CF 2230a_100025743550_100015614560 [0,2,0,0,0,0|2,0,0]=4 20243 B12R0.248 CCCCSCCNC[C@@H](O)CO 2230a_100025743550_100009815848 [0,2,0,0,0,0|1,0,0]=3 20244 B12R0.248 CCCCSCCOCC(C)CC 34a_200000230436_100000748023 [0,2,0,0,0,0|2,0,0]=4 20245 B12R0.248 CCCCSCCOCC(C)CC 7a_200000230436_100000748023 [0,2,0,0,0,0|2,0,0]=4 20246 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,2,0,0,0,0|2,0,0]=4 20247 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,2,0,0,0,0|2,0,0]=4 20248 B12R0.248 CCCCSCCOCC(O)CO 34a_200000230436_100011219619 [0,2,0,0,0,0|1,0,0]=3 20249 B12R0.248 CCCCSCCOCC(O)CO 7a_200000230436_100011219619 [0,2,0,0,0,0|1,0,0]=3 20250 B12R0.248 CCCCSCCOC[C@@H](C)CC 34a_200000230436_100009816398 [0,2,0,0,0,0|2,0,0]=4 20251 B12R0.248 CCCCSCCOC[C@@H](C)CC 7a_200000230436_100009816398 [0,2,0,0,0,0|2,0,0]=4 20252 B12R0.248 CCCCSCCOC[C@@H](C)CO 34a_200000230436_100000059175 [0,2,0,0,0,0|1,0,0]=3 20253 B12R0.248 CCCCSCCOC[C@@H](C)CO 7a_200000230436_100000059175 [0,2,0,0,0,0|1,0,0]=3 20254 B12R0.248 CCCCSCCOC[C@@H](O)CF 34a_200000230436_100015614560 [0,2,0,0,0,0|2,0,0]=4 20255 B12R0.248 CCCCSCCOC[C@@H](O)CF 7a_200000230436_100015614560 [0,2,0,0,0,0|2,0,0]=4 20256 B12R0.248 CCCCSCCOC[C@@H](O)CO 34a_200000230436_100009815848 [0,2,0,0,0,0|1,0,0]=3 20257 B12R0.248 CCCCSCCOC[C@@H](O)CO 7a_200000230436_100009815848 [0,2,0,0,0,0|1,0,0]=3 20258 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|1,0,1]=4 20259 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|1,0,1]=4 20260 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|1,0,1]=4 20261 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,2,0,0,0,0|1,0,0]=3 20262 B12R0.248 CCCOCCCNCC(C)CC 2230a_100011217757_100000748023 [0,2,0,0,0,0|2,0,0]=4 20263 B12R0.248 CCCOCCCNCC(C)CC 270004a_100011217757_100000243153 [0,2,0,0,0,0|2,0,0]=4 20264 B12R0.248 CCCOCCCNCC(C)CC 34a_100011217757_100000748023 [0,2,0,0,0,0|2,0,0]=4 20265 B12R0.248 CCCOCCCNCC(O)CC 2230a_100011217757_100011218378 [0,2,0,0,0,0|2,0,0]=4 20266 B12R0.248 CCCOCCCNCC(O)CC 34a_100011217757_100011218378 [0,2,0,0,0,0|2,0,0]=4 20267 B12R0.248 CCCOCCCNCC(O)CO 2230a_100011217757_100011219619 [0,2,0,0,0,0|1,0,0]=3 20268 B12R0.248 CCCOCCCNCC(O)CO 34a_100011217757_100011219619 [0,2,0,0,0,0|1,0,0]=3 20269 B12R0.248 CCCOCCCNC[C@@H](C)CC 2230a_100011217757_100009816398 [0,2,0,0,0,0|2,0,0]=4 20270 B12R0.248 CCCOCCCNC[C@@H](C)CC 34a_100011217757_100009816398 [0,2,0,0,0,0|2,0,0]=4 20271 B12R0.248 CCCOCCCNC[C@@H](C)CO 2230a_100011217757_100000059175 [0,2,0,0,0,0|1,0,0]=3 20272 B12R0.248 CCCOCCCNC[C@@H](C)CO 34a_100011217757_100000059175 [0,2,0,0,0,0|1,0,0]=3 20273 B12R0.248 CCCOCCCNC[C@@H](O)CF 2230a_100011217757_100015614560 [0,2,0,0,0,0|2,0,0]=4 20274 B12R0.248 CCCOCCCNC[C@@H](O)CF 34a_100011217757_100015614560 [0,2,0,0,0,0|2,0,0]=4 20275 B12R0.248 CCCOCCCNC[C@@H](O)CO 2230a_100011217757_100009815848 [0,2,0,0,0,0|1,0,0]=3 20276 B12R0.248 CCCOCCCNC[C@@H](O)CO 34a_100011217757_100009815848 [0,2,0,0,0,0|1,0,0]=3 20277 B12R0.248 CCCOCCNCCC(C)CC 2230a_100020591266_100011215938 [0,2,0,0,0,0|2,0,0]=4 20278 B12R0.248 CCCOCCNCCC(C)CO 2230a_106354213184_100011215938 [0,2,0,0,0,0|1,0,0]=3 20279 B12R0.248 CCCOCCNCCC(C)CO 34a_106354213184_100011215938 [0,2,0,0,0,0|1,0,0]=3 20280 B12R0.248 CCCOCCOCCC(C)CC 7a_100011215188_100011215938 [0,2,0,0,0,0|2,0,0]=4 20281 B12R0.248 CCCOCCOCCC(C)OC 7a_100000764861_100011215938 [0,2,0,0,0,0|2,0,0]=4 20282 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|1,0,1]=4 20283 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|1,0,1]=4 20284 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,2,0,0,0,0|0,0,0]=2 20285 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,2,0,0,0,0|0,0,0]=2 20286 B12R0.248 CCN(C)CCCNCCCCO 2230a_100000750430_100015186262 [0,2,0,0,0,0|1,0,0]=3 20287 B12R0.248 CCN(C)CCCOCCCCCl 7a_100000210776_100015186262 [0,2,0,0,0,0|2,0,0]=4 20288 B12R0.248 CCN(C)CCCOCCCCF 7a_100011995726_100015186262 [0,2,0,0,0,0|2,0,0]=4 20289 B12R0.248 CCN(C)CCCSCCCCF 62a_100000729493_100015186262 [0,2,0,0,0,0|2,0,0]=4 20290 B12R0.248 CCN(C)CCCSCCCCO 62a_100000210776_100015186262 [0,2,0,0,0,0|1,0,0]=3 20291 B12R0.248 CCN(C)CCCSCCCOC 62a_100000709357_100015186262 [0,2,0,0,0,0|2,0,0]=4 20292 B12R0.248 CCN(C)CCOCCOCCO 2230a_100000225621_100000032323 [0,2,0,0,0,0|2,0,0]=4 20293 B12R0.248 CCN(C)CCOCCOCCO 2230a_200014138305_100000210202 [0,2,0,0,0,0|2,0,0]=4 20294 B12R0.248 CCN(C)CCOCCOCCO 269982a_100000225621_100000032323 [0,2,0,0,0,0|2,0,0]=4 20295 B12R0.248 CCN(C)CCOCCOCCO 269982a_200014138305_100000204670 [0,2,0,0,0,0|2,0,0]=4 20296 B12R0.248 CCN(C)CCOCCOCCO 34a_200014138305_100000210202 [0,2,0,0,0,0|2,0,0]=4 20297 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|1,0,1]=4 20298 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|1,0,1]=4 20299 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|1,0,1]=4 20300 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|1,0,1]=4 20301 B12R0.248 CCOCCCNCCC(C)CC 2230a_100020591266_100012232248 [0,2,0,0,0,0|2,0,0]=4 20302 B12R0.248 CCOCCCNCCC(C)CO 2230a_106354213184_100012232248 [0,2,0,0,0,0|1,0,0]=3 20303 B12R0.248 CCOCCCNCCC(C)CO 34a_106354213184_100012232248 [0,2,0,0,0,0|1,0,0]=3 20304 B12R0.248 CCOCCCOCCC(C)CC 7a_100011215188_100012232248 [0,2,0,0,0,0|2,0,0]=4 20305 B12R0.248 CCOCCCOCCC(C)OC 7a_100000764861_100012232248 [0,2,0,0,0,0|2,0,0]=4 20306 B12R0.248 CCOCCOCCCC(C)CC 7a_100011216074_100011215890 [0,2,0,0,0,0|2,0,0]=4 20307 B12R0.248 CCOCCOCCC[C@@H](C)CN 34a_100160569302_100000210147 [0,2,0,0,0,0|2,0,0]=4 20308 B12R0.248 CCOCCOCCNC(C)CO 2230a_100102712874_100012180447 [0,2,0,0,0,0|2,0,0]=4 20309 B12R0.248 CCOCCOCCNC(C)CO 34a_100102712874_100012180447 [0,2,0,0,0,0|2,0,0]=4 20310 B12R0.248 CCOCCOCCN[C@H](C)CO 2230a_100000737577_100011211534 [0,2,0,0,0,0|2,0,0]=4 20311 B12R0.248 CCOCCOCCOC(C)CO 34a_100000210240_100012180447 [0,2,0,0,0,0|2,0,0]=4 20312 B12R0.248 CCOCCOCCOC(C)CO 7a_100000210240_100012180447 [0,2,0,0,0,0|2,0,0]=4 20313 B12R0.248 CCOCCOCCSC(C)CO 62a_100012180447_100011211534 [0,2,0,0,0,0|2,0,0]=4 20314 B12R0.248 CCOCCOCCS[C@H](C)CO 62a_100011211534_100016084084 [0,2,0,0,0,0|2,0,0]=4 20315 B12R0.248 CCOCCOCCS[C@H](C)CO 62a_100016084084_100011211534 [0,2,0,0,0,0|2,0,0]=4 20316 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|1,0,1]=4 20317 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|1,0,1]=4 20318 B12R0.248 CCSCCOCCCC(C)CC 7a_100011216074_100000757381 [0,2,0,0,0,0|2,0,0]=4 20319 B12R0.248 CCSCCOCCC[C@@H](C)CN 34a_100160569302_100000757381 [0,2,0,0,0,0|2,0,0]=4 20320 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,2,0,0,0,0|0,0,0]=2 20321 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,2,0,0,0,0|0,0,0]=2 20322 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,2,0,0,0,0|1,0,0]=3 20323 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,2,0,0,0,0|1,0,0]=3 20324 B12R0.248 CC[C@H](C)CNCCOCCOC 2230a_100000745349_100009816398 [0,2,0,0,0,0|2,0,0]=4 20325 B12R0.248 CC[C@H](C)CNCCOCCOC 34a_100000745349_100009816398 [0,2,0,0,0,0|2,0,0]=4 20326 B12R0.248 CC[C@H](C)COCCCCCC#N 7a_100009816381_100009813376 [0,2,0,0,0,0|1,0,1]=4 20327 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,2,0,0,0,0|0,0,2]=4 20328 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,2,0,0,0,0|1,0,0]=3 20329 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,2,0,0,0,0|1,0,0]=3 20330 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,2,0,0,0,0|1,0,0]=3 20331 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,2,0,0,0,0|1,0,0]=3 20332 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,2,0,0,0,0|1,0,0]=3 20333 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,2,0,0,0,0|1,0,0]=3 20334 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,2,0,0,0,0|1,0,0]=3 20335 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,2,0,0,0,0|1,0,0]=3 20336 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,2,0,0,0,0|0,0,0]=2 20337 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,2,0,0,0,0|2,0,0]=4 20338 B12R0.248 CC[C@H](C)COCCOCCOC 34a_100011215163_100009816398 [0,2,0,0,0,0|2,0,0]=4 20339 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100009816381_100000695917 [0,2,0,0,0,0|2,0,0]=4 20340 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100011215163_100009816398 [0,2,0,0,0,0|2,0,0]=4 20341 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009813376_100009816398 [0,2,0,0,0,0|1,0,1]=4 20342 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009816398_100009813376 [0,2,0,0,0,0|1,0,1]=4 20343 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,2,0,0,0,0|0,0,2]=4 20344 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,2,0,0,0,0|0,0,2]=4 20345 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,2,0,0,0,0|1,0,0]=3 20346 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,2,0,0,0,0|1,0,0]=3 20347 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,2,0,0,0,0|0,0,0]=2 20348 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,2,0,0,0,0|0,0,0]=2 20349 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100000695917_100009816398 [0,2,0,0,0,0|2,0,0]=4 20350 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100009816398_100000695917 [0,2,0,0,0,0|2,0,0]=4 20351 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|0,0,1]=3 20352 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|1,0,1]=4 20353 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|1,0,1]=4 20354 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|1,0,1]=4 20355 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,1]=4 20356 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|1,0,1]=4 20357 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|1,0,1]=4 20358 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|1,0,1]=4 20359 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|1,0,1]=4 20360 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|1,0,1]=4 20361 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,1]=4 20362 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|1,0,1]=4 20363 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|1,0,1]=4 20364 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|1,0,1]=4 20365 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|1,0,1]=4 20366 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|1,0,1]=4 20367 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,1]=4 20368 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|1,0,1]=4 20369 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|1,0,1]=4 20370 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|1,0,1]=4 20371 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|1,0,1]=4 20372 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|1,0,1]=4 20373 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|1,0,1]=4 20374 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|1,0,1]=4 20375 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|1,0,1]=4 20376 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|1,0,1]=4 20377 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|1,0,1]=4 20378 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|1,0,1]=4 20379 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|1,0,1]=4 20380 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [0,2,0,0,0,0|1,0,0]=3 20381 B12R0.248 CNCCCCCOC[C@@H](C)CO 34a_100000722520_100000059175 [0,2,0,0,0,0|1,0,0]=3 20382 B12R0.248 CNCCCCCOC[C@@H](O)CF 34a_100000722520_100015614560 [0,2,0,0,0,0|2,0,0]=4 20383 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [0,2,0,0,0,0|1,0,0]=3 20384 B12R0.248 CNCCOCCOCC(O)CO 34a_100000228057_100011219619 [0,2,0,0,0,0|2,0,0]=4 20385 B12R0.248 CNCCOCCOC[C@@H](C)CO 34a_100000228057_100000059175 [0,2,0,0,0,0|2,0,0]=4 20386 B12R0.248 CNCCOCCOC[C@@H](O)CO 34a_100000228057_100009815848 [0,2,0,0,0,0|2,0,0]=4 20387 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|1,0,1]=4 20388 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|1,0,1]=4 20389 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|1,0,1]=4 20390 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|1,0,1]=4 20391 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|1,0,1]=4 20392 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|1,0,1]=4 20393 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|1,0,1]=4 20394 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|1,0,1]=4 20395 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|1,0,1]=4 20396 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|1,0,1]=4 20397 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|1,0,1]=4 20398 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|1,0,1]=4 20399 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|1,0,1]=4 20400 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|1,0,1]=4 20401 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|1,0,1]=4 20402 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|1,0,1]=4 20403 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|1,0,1]=4 20404 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|1,0,1]=4 20405 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|1,0,1]=4 20406 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|1,0,1]=4 20407 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|1,0,1]=4 20408 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|1,0,1]=4 20409 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|1,0,1]=4 20410 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|1,0,1]=4 20411 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|1,0,1]=4 20412 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,1]=4 20413 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|1,0,1]=4 20414 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|1,0,1]=4 20415 B12R0.248 COC(C)CCOCCCCCF 7a_100000764861_100000729378 [0,2,0,0,0,0|2,0,0]=4 20416 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,2,0,0,0,0|1,0,0]=3 20417 B12R0.248 COC(C)CCOCCOCCO 7a_100000764861_100011215305 [0,2,0,0,0,0|2,0,0]=4 20418 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,2,0,0,0,0|2,0,0]=4 20419 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,2,0,0,0,0|1,0,0]=3 20420 B12R0.248 COC(C)SCCCCCCCO 62a_100000760002_100009879195 [0,2,0,0,0,0|1,0,0]=3 20421 B12R0.248 COC(C)SCCCCCCCO 62a_100009879195_100000760002 [0,2,0,0,0,0|1,0,0]=3 20422 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|1,0,1]=4 20423 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|1,0,1]=4 20424 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|1,0,1]=4 20425 B12R0.248 COCCCCCCN[C@H](C)CO 2230a_100000737577_100011998445 [0,2,0,0,0,0|1,0,0]=3 20426 B12R0.248 COCCCCCCOC(C)CF 34a_100016041109_100011998445 [0,2,0,0,0,0|2,0,0]=4 20427 B12R0.248 COCCCCCCOC(C)CF 7a_100016041109_100011998445 [0,2,0,0,0,0|2,0,0]=4 20428 B12R0.248 COCCCCCCOC(C)CN 34a_100000210904_100011998445 [0,2,0,0,0,0|2,0,0]=4 20429 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,2,0,0,0,0|1,0,0]=3 20430 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,2,0,0,0,0|1,0,0]=3 20431 B12R0.248 COCCCCCCSC(C)CO 62a_100012180447_100011998445 [0,2,0,0,0,0|1,0,0]=3 20432 B12R0.248 COCCCCCCSC(C)OC 62a_100009879195_100011998445 [0,2,0,0,0,0|2,0,0]=4 20433 B12R0.248 COCCCCCCSC(C)OC 62a_100011998445_100009879195 [0,2,0,0,0,0|2,0,0]=4 20434 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100011998445_100016084084 [0,2,0,0,0,0|1,0,0]=3 20435 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100016084084_100011998445 [0,2,0,0,0,0|1,0,0]=3 20436 B12R0.248 COCCCCCNCC(O)CO 2230a_100000747528_100011219619 [0,2,0,0,0,0|1,0,0]=3 20437 B12R0.248 COCCCCCNCC(O)CO 34a_100000747528_100011219619 [0,2,0,0,0,0|1,0,0]=3 20438 B12R0.248 COCCCCCNC[C@@H](C)CO 2230a_100000747528_100000059175 [0,2,0,0,0,0|1,0,0]=3 20439 B12R0.248 COCCCCCNC[C@@H](C)CO 34a_100000747528_100000059175 [0,2,0,0,0,0|1,0,0]=3 20440 B12R0.248 COCCCCCNC[C@@H](O)CF 2230a_100000747528_100015614560 [0,2,0,0,0,0|2,0,0]=4 20441 B12R0.248 COCCCCCNC[C@@H](O)CF 34a_100000747528_100015614560 [0,2,0,0,0,0|2,0,0]=4 20442 B12R0.248 COCCCCCNC[C@@H](O)CO 2230a_100000747528_100009815848 [0,2,0,0,0,0|1,0,0]=3 20443 B12R0.248 COCCCCCNC[C@@H](O)CO 34a_100000747528_100009815848 [0,2,0,0,0,0|1,0,0]=3 20444 B12R0.248 COCCCCNCCC(C)CO 2230a_106354213184_100000730899 [0,2,0,0,0,0|1,0,0]=3 20445 B12R0.248 COCCCCNCCC(C)CO 34a_106354213184_100000755781 [0,2,0,0,0,0|1,0,0]=3 20446 B12R0.248 COCCCCOCCC(C)OC 7a_100000764861_100000730899 [0,2,0,0,0,0|2,0,0]=4 20447 B12R0.248 COCCCOCCC[C@@H](C)CN 34a_100160569302_100000740836 [0,2,0,0,0,0|2,0,0]=4 20448 B12R0.248 COCCOCCCNC(C)CO 2230a_100000206027_100012180447 [0,2,0,0,0,0|2,0,0]=4 20449 B12R0.248 COCCOCCCNC(C)CO 34a_100000206027_100012180447 [0,2,0,0,0,0|2,0,0]=4 20450 B12R0.248 COCCOCCCN[C@H](C)CO 2230a_100000737577_100011216529 [0,2,0,0,0,0|2,0,0]=4 20451 B12R0.248 COCCOCCCSC(C)CO 62a_100012180447_100011216529 [0,2,0,0,0,0|2,0,0]=4 20452 B12R0.248 COCCOCCCS[C@H](C)CO 62a_100011216529_100016084084 [0,2,0,0,0,0|2,0,0]=4 20453 B12R0.248 COCCOCCCS[C@H](C)CO 62a_100016084084_100011216529 [0,2,0,0,0,0|2,0,0]=4 20454 B12R0.248 COCCOCCNCC(C)CO 34a_100000744482_100000695917 [0,2,0,0,0,0|2,0,0]=4 20455 B12R0.248 COCCOCCNCC(O)CO 2230a_100000745349_100011219619 [0,2,0,0,0,0|2,0,0]=4 20456 B12R0.248 COCCOCCNCC(O)CO 34a_100000745349_100011219619 [0,2,0,0,0,0|2,0,0]=4 20457 B12R0.248 COCCOCCNC[C@@H](C)CO 2230a_100000745349_100000059175 [0,2,0,0,0,0|2,0,0]=4 20458 B12R0.248 COCCOCCNC[C@@H](C)CO 34a_100000745349_100000059175 [0,2,0,0,0,0|2,0,0]=4 20459 B12R0.248 COCCOCCNC[C@@H](F)CO 34a_100015665980_100000695917 [0,2,0,0,0,0|2,0,0]=4 20460 B12R0.248 COCCOCCNC[C@@H](O)CO 2230a_100000745349_100009815848 [0,2,0,0,0,0|2,0,0]=4 20461 B12R0.248 COCCOCCNC[C@@H](O)CO 34a_100000745349_100009815848 [0,2,0,0,0,0|2,0,0]=4 20462 B12R0.248 COCCOCCNC[C@H](O)CO 2230a_100020644852_100000695917 [0,2,0,0,0,0|2,0,0]=4 20463 B12R0.248 COCCOCCOCC(O)CO 34a_100011215163_100011219619 [0,2,0,0,0,0|2,0,0]=4 20464 B12R0.248 COCCOCCOCC(O)CO 7a_100011215163_100011219619 [0,2,0,0,0,0|2,0,0]=4 20465 B12R0.248 COCCOCCOC[C@@H](C)CO 34a_100011215163_100000059175 [0,2,0,0,0,0|2,0,0]=4 20466 B12R0.248 COCCOCCOC[C@@H](C)CO 7a_100011215163_100000059175 [0,2,0,0,0,0|2,0,0]=4 20467 B12R0.248 COCCOCCOC[C@@H](O)CO 34a_100011215163_100009815848 [0,2,0,0,0,0|2,0,0]=4 20468 B12R0.248 COCCOCCOC[C@@H](O)CO 7a_100011215163_100009815848 [0,2,0,0,0,0|2,0,0]=4 20469 B12R0.248 COCCOCCSCC(O)CO 62a_100000695917_100011219619 [0,2,0,0,0,0|2,0,0]=4 20470 B12R0.248 COCCOCCSCC(O)CO 62a_100011219619_100000695917 [0,2,0,0,0,0|2,0,0]=4 20471 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000059175_100000695917 [0,2,0,0,0,0|2,0,0]=4 20472 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000695917_100000059175 [0,2,0,0,0,0|2,0,0]=4 20473 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100000695917_100009815848 [0,2,0,0,0,0|2,0,0]=4 20474 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100009815848_100000695917 [0,2,0,0,0,0|2,0,0]=4 20475 B12R0.248 COCCOCNCCC(C)CO 2230a_106354213184_100000231047 [0,2,0,0,0,0|2,0,0]=4 20476 B12R0.248 CO[C@H](C)CNCCCCCCF 2230a_100020591295_100015922095 [0,2,0,0,0,0|2,0,0]=4 20477 B12R0.248 CO[C@H](C)CNCCCCCCO 2230a_100020591295_100000766143 [0,2,0,0,0,0|1,0,0]=3 20478 B12R0.248 C[C@@H](CN)CCCOCCCCF 34a_100160569302_100000729493 [0,2,0,0,0,0|2,0,0]=4 20479 B12R0.248 C[C@@H](CN)CCCOCCCCO 34a_100160569302_100011216708 [0,2,0,0,0,0|1,0,0]=3 20480 B12R0.248 C[C@@H](CO)CNCCCCCCO 2230a_100000686447_100000059175 [0,2,0,0,0,0|1,0,0]=3 20481 B12R0.248 C[C@@H](CO)CNCCCCCCO 34a_100000686447_100000059175 [0,2,0,0,0,0|1,0,0]=3 20482 B12R0.248 C[C@@H](CO)COCCCCCCBr 34a_100011215345_100000059175 [0,2,0,0,0,0|1,0,0]=3 20483 B12R0.248 C[C@@H](CO)COCCCCCCBr 7a_100011215345_100000059175 [0,2,0,0,0,0|1,0,0]=3 20484 B12R0.248 C[C@@H](CO)COCCCCCCCl 34a_100000766143_100000059175 [0,2,0,0,0,0|1,0,0]=3 20485 B12R0.248 C[C@@H](CO)COCCCCCCCl 7a_100000766143_100000059175 [0,2,0,0,0,0|1,0,0]=3 20486 B12R0.248 C[C@@H](CO)COCCCCCCF 34a_100000732779_100000059175 [0,2,0,0,0,0|1,0,0]=3 20487 B12R0.248 C[C@@H](CO)COCCCCCCF 7a_100000732779_100000059175 [0,2,0,0,0,0|1,0,0]=3 20488 B12R0.248 C[C@@H](CO)COCCCCCCN 34a_100000686447_100000059175 [0,2,0,0,0,0|1,0,0]=3 20489 B12R0.248 C[C@@H](CO)CSCCCCCC#N 62a_100000059175_100009813376 [0,2,0,0,0,0|1,0,1]=4 20490 B12R0.248 C[C@@H](CO)CSCCCCCC#N 62a_100009813376_100000059175 [0,2,0,0,0,0|1,0,1]=4 20491 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [0,2,0,0,0,0|1,0,1]=4 20492 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [0,2,0,0,0,0|1,0,1]=4 20493 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100000059175_100015922095 [0,2,0,0,0,0|1,0,0]=3 20494 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100015922095_100000059175 [0,2,0,0,0,0|1,0,0]=3 20495 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000059175_100000766143 [0,2,0,0,0,0|1,0,0]=3 20496 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000766143_100000059175 [0,2,0,0,0,0|1,0,0]=3 20497 B12R0.248 C[C@H](CO)NCCCCCCC#N 2230a_100000737577_100009813337 [0,2,0,0,0,0|1,0,1]=4 20498 B12R0.248 C[C@H](CO)NCCCCCCCO 2230a_100000737577_100000760002 [0,2,0,0,0,0|1,0,0]=3 20499 B12R0.248 C[C@H](CO)SCCCCCCC#N 62a_100009813337_100016084084 [0,2,0,0,0,0|1,0,1]=4 20500 B12R0.248 C[C@H](CO)SCCCCCCC#N 62a_100016084084_100009813337 [0,2,0,0,0,0|1,0,1]=4 20501 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100000760002_100016084084 [0,2,0,0,0,0|1,0,0]=3 20502 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100016084084_100000760002 [0,2,0,0,0,0|1,0,0]=3 20503 B12R0.248 FCCCCCCOCC(Cl)CCl 34a_100000033668_100015922095 [0,2,0,0,0,0|2,0,0]=4 20504 B12R0.248 N#CC(F)SCCCCCCCO 62a_100000760002_200000117898 [0,2,0,0,0,0|1,0,1]=4 20505 B12R0.248 N#CC(F)SCCCCCCCO 62a_200000117898_100000760002 [0,2,0,0,0,0|1,0,1]=4 20506 B12R0.248 N#CCCCCCNC[C@H](O)CO 2230a_100020644852_100009813376 [0,2,0,0,0,0|1,0,1]=4 20507 B12R0.248 N#CCCCCCSCC(O)CO 62a_100009813376_100011219619 [0,2,0,0,0,0|1,0,1]=4 20508 B12R0.248 N#CCCCCCSCC(O)CO 62a_100011219619_100009813376 [0,2,0,0,0,0|1,0,1]=4 20509 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009813376_100009815848 [0,2,0,0,0,0|1,0,1]=4 20510 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009815848_100009813376 [0,2,0,0,0,0|1,0,1]=4 20511 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,0]=3 20512 B12R0.248 NCCCCCCOC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|2,0,0]=4 20513 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,0]=3 20514 B12R0.248 NC[C@@H](F)COCCCCCCF 34a_100015665980_100015922095 [0,2,0,0,0,0|2,0,0]=4 20515 B12R0.248 NC[C@@H](F)COCCCCCCO 34a_100015665980_100000766143 [0,2,0,0,0,0|1,0,0]=3 20516 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|0,0,1]=3 20517 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|1,0,1]=4 20518 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,2,0,0,0,0|1,0,1]=4 20519 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,2,0,0,0,0|1,0,1]=4 20520 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,2,0,0,0,0|1,0,1]=4 20521 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,2,0,0,0,0|1,0,1]=4 20522 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,2,0,0,0,0|1,0,1]=4 20523 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [0,2,0,0,0,0|1,0,0]=3 20524 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [0,2,0,0,0,0|1,0,0]=3 20525 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [0,2,0,0,0,0|1,0,0]=3 20526 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [0,2,0,0,0,0|1,0,0]=3 20527 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [0,2,0,0,0,0|1,0,0]=3 20528 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [0,2,0,0,0,0|1,0,0]=3 20529 B12R0.248 OCC(O)CSCCCCCCF 62a_100011219619_100015922095 [0,2,0,0,0,0|1,0,0]=3 20530 B12R0.248 OCC(O)CSCCCCCCF 62a_100015922095_100011219619 [0,2,0,0,0,0|1,0,0]=3 20531 B12R0.248 OCCCCCCNCC(O)CO 2230a_100000686447_100011219619 [0,2,0,0,0,0|1,0,0]=3 20532 B12R0.248 OCCCCCCNCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,0]=3 20533 B12R0.248 OCCCCCCNC[C@@H](F)CO 34a_100015665980_100000766143 [0,2,0,0,0,0|1,0,0]=3 20534 B12R0.248 OCCCCCCNC[C@@H](O)CF 2230a_100000686447_100015614560 [0,2,0,0,0,0|1,0,0]=3 20535 B12R0.248 OCCCCCCNC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|1,0,0]=3 20536 B12R0.248 OCCCCCCNC[C@@H](O)CO 2230a_100000686447_100009815848 [0,2,0,0,0,0|1,0,0]=3 20537 B12R0.248 OCCCCCCNC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,0]=3 20538 B12R0.248 OCCCCCCNC[C@H](O)CO 2230a_100020644852_100000766143 [0,2,0,0,0,0|1,0,0]=3 20539 B12R0.248 OCCCCCCOCC(Cl)CCl 34a_100000033668_100000766143 [0,2,0,0,0,0|1,0,0]=3 20540 B12R0.248 OCCCCCCSCC(O)CO 62a_100000766143_100011219619 [0,2,0,0,0,0|1,0,0]=3 20541 B12R0.248 OCCCCCCSCC(O)CO 62a_100011219619_100000766143 [0,2,0,0,0,0|1,0,0]=3 20542 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100000766143_100015614560 [0,2,0,0,0,0|1,0,0]=3 20543 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100015614560_100000766143 [0,2,0,0,0,0|1,0,0]=3 20544 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100000766143_100009815848 [0,2,0,0,0,0|1,0,0]=3 20545 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100009815848_100000766143 [0,2,0,0,0,0|1,0,0]=3 20546 B12R0.248 OC[C@@H](O)CNCCCCCCF 2230a_100020644852_100015922095 [0,2,0,0,0,0|1,0,0]=3 20547 B12R0.248 OC[C@H](F)CNCCCCCCF 34a_100015665980_100015922095 [0,2,0,0,0,0|1,0,0]=3 20548 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [0,2,0,0,0,0|1,0,0]=3 20549 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [0,2,0,0,0,0|1,0,0]=3 20550 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [0,2,0,0,0,0|1,0,0]=3 20551 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [0,2,0,0,0,0|1,0,0]=3 20552 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [0,2,0,0,0,0|1,0,0]=3 20553 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [0,2,0,0,0,0|1,0,0]=3 20554 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100009815848_100015922095 [0,2,0,0,0,0|1,0,0]=3 20555 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100015922095_100009815848 [0,2,0,0,0,0|1,0,0]=3 20556 B12R0.248 O[C@@H](CF)COCCCCCCBr 34a_100011215345_100015614560 [0,2,0,0,0,0|2,0,0]=4 20557 B12R0.248 O[C@@H](CF)COCCCCCCBr 7a_100011215345_100015614560 [0,2,0,0,0,0|2,0,0]=4 20558 B12R0.248 O[C@@H](CF)COCCCCCCCl 34a_100000766143_100015614560 [0,2,0,0,0,0|2,0,0]=4 20559 B12R0.248 O[C@@H](CF)COCCCCCCCl 7a_100000766143_100015614560 [0,2,0,0,0,0|2,0,0]=4 20560 B12R0.248 O[C@@H](CF)COCCCCCCF 34a_100000732779_100015614560 [0,2,0,0,0,0|2,0,0]=4 20561 B12R0.248 O[C@@H](CF)COCCCCCCF 7a_100000732779_100015614560 [0,2,0,0,0,0|2,0,0]=4 20562 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015614560_100015922095 [0,2,0,0,0,0|2,0,0]=4 20563 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015922095_100015614560 [0,2,0,0,0,0|2,0,0]=4 20564 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,2,0,0,0,0|0,0,2]=4 20565 B12R0.4 C=C(C)CN(C)CCCCCCO 2230a_100000225649_100000766143 [0,2,0,0,0,0|1,0,1]=4 20566 B12R0.4 C=C(C)CN(C)CCCCCCO 269982a_100000225649_100000766143 [0,2,0,0,0,0|1,0,1]=4 20567 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,2,0,0,0,0|1,0,1]=4 20568 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,2,0,0,0,0|0,0,1]=3 20569 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,2,0,0,0,0|0,0,1]=3 20570 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,2,0,0,0,0|1,0,1]=4 20571 B12R0.4 CC(C)CC(C)NCCCCCF 2230a_100000692259_100000729378 [0,2,0,0,0,0|2,0,0]=4 20572 B12R0.4 CC(C)CC(C)NCCCCCO 2230a_100000692259_100000746330 [0,2,0,0,0,0|1,0,0]=3 20573 B12R0.4 CC(C)CC(C)NCCCCCO 2230a_100000762737_100000731052 [0,2,0,0,0,0|1,0,0]=3 20574 B12R0.4 CC(C)CC(C)NCCCCCO 34a_100000762737_100000731052 [0,2,0,0,0,0|1,0,0]=3 20575 B12R0.4 CC(C)CC(C)NCCOCCO 2230a_100000211614_100000731052 [0,2,0,0,0,0|2,0,0]=4 20576 B12R0.4 CC(C)CC(C)NCCOCCO 2230a_100000692259_100011215305 [0,2,0,0,0,0|2,0,0]=4 20577 B12R0.4 CC(C)CC(C)NCCOCCO 34a_100000211614_100000731052 [0,2,0,0,0,0|2,0,0]=4 20578 B12R0.4 CC(C)CC(C)NCCSCCO 2230a_100011219999_100000731052 [0,2,0,0,0,0|2,0,0]=4 20579 B12R0.4 CC(C)CC(C)OCCCCCBr 34a_100000746331_100000731052 [0,2,0,0,0,0|2,0,0]=4 20580 B12R0.4 CC(C)CC(C)OCCCCCBr 7a_100000746331_100000731052 [0,2,0,0,0,0|2,0,0]=4 20581 B12R0.4 CC(C)CC(C)OCCCCCCl 34a_100000746330_100000731052 [0,2,0,0,0,0|2,0,0]=4 20582 B12R0.4 CC(C)CC(C)OCCCCCCl 7a_100000746330_100000731052 [0,2,0,0,0,0|2,0,0]=4 20583 B12R0.4 CC(C)CC(C)OCCCCCF 34a_100000211805_100000729378 [0,2,0,0,0,0|2,0,0]=4 20584 B12R0.4 CC(C)CC(C)OCCCCCF 7a_100000211805_100000729378 [0,2,0,0,0,0|2,0,0]=4 20585 B12R0.4 CC(C)CC(C)OCCCCCI 34a_200012148887_100000731052 [0,2,0,0,0,0|2,0,0]=4 20586 B12R0.4 CC(C)CC(C)OCCCCCI 7a_200012148887_100000731052 [0,2,0,0,0,0|2,0,0]=4 20587 B12R0.4 CC(C)CC(C)OCCCCCN 34a_100000762737_100000731052 [0,2,0,0,0,0|2,0,0]=4 20588 B12R0.4 CC(C)CC(C)OCCCCCO 34a_100000211805_100000746330 [0,2,0,0,0,0|1,0,0]=3 20589 B12R0.4 CC(C)CC(C)OCCCCCO 7a_100000211805_100000746330 [0,2,0,0,0,0|1,0,0]=3 20590 B12R0.4 CC(C)CC(C)OCCOCCO 34a_100000211805_100000692535 [0,2,0,0,0,0|2,0,0]=4 20591 B12R0.4 CC(C)CC(C)OCCOCCO 7a_100000211805_100011215305 [0,2,0,0,0,0|2,0,0]=4 20592 B12R0.4 CC(C)CC(C)SCCCCCF 62a_100000729378_100000731052 [0,2,0,0,0,0|2,0,0]=4 20593 B12R0.4 CC(C)CC(C)SCCCCCF 62a_100000731052_100000729378 [0,2,0,0,0,0|2,0,0]=4 20594 B12R0.4 CC(C)CC(C)SCCCCCO 62a_100000731052_100000746330 [0,2,0,0,0,0|1,0,0]=3 20595 B12R0.4 CC(C)CC(C)SCCCCCO 62a_100000746330_100000731052 [0,2,0,0,0,0|1,0,0]=3 20596 B12R0.4 CC(C)CC(C)SCCOCCO 62a_100000731052_100011215305 [0,2,0,0,0,0|2,0,0]=4 20597 B12R0.4 CC(C)CC(C)SCCOCCO 62a_100011215305_100000731052 [0,2,0,0,0,0|2,0,0]=4 20598 B12R0.4 CC(C)CN(C)CCCCCCF 2230a_100000747067_100015922095 [0,2,0,0,0,0|2,0,0]=4 20599 B12R0.4 CC(C)CN(C)CCCCCCF 269982a_100000747067_100015922095 [0,2,0,0,0,0|2,0,0]=4 20600 B12R0.4 CC(C)CN(C)CCCCCCO 2230a_100000747067_100000766143 [0,2,0,0,0,0|1,0,0]=3 20601 B12R0.4 CC(C)CN(C)CCCCCCO 269982a_100000747067_100000766143 [0,2,0,0,0,0|1,0,0]=3 20602 B12R0.4 CC(C)C[C@H](N)CCOCCCF 34a_100161151251_100011934791 [0,2,0,0,0,0|2,0,0]=4 20603 B12R0.4 CC(C)C[C@H](N)CCOCCCO 34a_100161151251_100000230001 [0,2,0,0,0,0|1,0,0]=3 20604 B12R0.4 CC(C)C[C@H](N)COCCCCF 34a_100011830311_100000729493 [0,2,0,0,0,0|2,0,0]=4 20605 B12R0.4 CC(C)C[C@H](N)COCCCCO 34a_100011830311_100011216708 [0,2,0,0,0,0|1,0,0]=3 20606 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|1,0,1]=4 20607 B12R0.4 CC(CN(C)C)SCCCCCO 62a_100000746330_100020606517 [0,2,0,0,0,0|2,0,0]=4 20608 B12R0.4 CC(CN(C)C)SCCCCCO 62a_100020606517_100000746330 [0,2,0,0,0,0|2,0,0]=4 20609 B12R0.4 CC(CNCCCCO)CN(C)C 2230a_100000750430_100015348159 [0,2,0,0,0,0|2,0,0]=4 20610 B12R0.4 CC(CSCCCCO)CN(C)C 62a_100000210776_100015348159 [0,2,0,0,0,0|2,0,0]=4 20611 B12R0.4 CC(CSCCCCO)CN(C)C 62a_100015348159_100000210776 [0,2,0,0,0,0|2,0,0]=4 20612 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|0,0,1]=3 20613 B12R0.4 CC(O)CN(C)CCCCCCF 2230a_100000227577_100015922095 [0,2,0,0,0,0|2,0,0]=4 20614 B12R0.4 CC(O)CN(C)CCCCCCF 269982a_100000227577_100015922095 [0,2,0,0,0,0|2,0,0]=4 20615 B12R0.4 CC(O)CN(C)CCCCCCO 2230a_100000227577_100000766143 [0,2,0,0,0,0|1,0,0]=3 20616 B12R0.4 CC(O)CN(C)CCCCCCO 269982a_100000227577_100000766143 [0,2,0,0,0,0|1,0,0]=3 20617 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|1,0,1]=4 20618 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|1,0,1]=4 20619 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|0,0,1]=3 20620 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|1,0,1]=4 20621 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|0,0,1]=3 20622 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,2,0,0,0,0|2,0,0]=4 20623 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,2,0,0,0,0|2,0,0]=4 20624 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,2,0,0,0,0|2,0,0]=4 20625 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,2,0,0,0,0|2,0,0]=4 20626 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,2,0,0,0,0|2,0,0]=4 20627 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,2,0,0,0,0|2,0,0]=4 20628 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,2,0,0,0,0|2,0,0]=4 20629 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|0,0,2]=4 20630 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|0,0,2]=4 20631 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,2,0,0,0,0|1,0,1]=4 20632 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000228206_100000210760 [0,2,0,0,0,0|2,0,0]=4 20633 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000747067_100000210681 [0,2,0,0,0,0|2,0,0]=4 20634 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000228206_100000210624 [0,2,0,0,0,0|2,0,0]=4 20635 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000747067_100000210681 [0,2,0,0,0,0|2,0,0]=4 20636 B12R0.4 CCCCCCCN(C)CC(C)C 270004a_100000228206_100000210432 [0,2,0,0,0,0|2,0,0]=4 20637 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,2,0,0,0,0|1,0,0]=3 20638 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,2,0,0,0,0|1,0,0]=3 20639 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,2,0,0,0,0|1,0,0]=3 20640 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,2,0,0,0,0|1,0,0]=3 20641 B12R0.4 CCCCCCCN(C)CC(F)F 2230a_100000228206_100011934356 [0,2,0,0,0,0|2,0,0]=4 20642 B12R0.4 CCCCCCCN(C)CC(F)F 269982a_100000228206_100011934356 [0,2,0,0,0,0|2,0,0]=4 20643 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,2,0,0,0,0|1,0,0]=3 20644 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,2,0,0,0,0|1,0,0]=3 20645 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|1,0,1]=4 20646 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000210581_100000731052 [0,2,0,0,0,0|2,0,0]=4 20647 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000692259_100000210314 [0,2,0,0,0,0|2,0,0]=4 20648 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,2,0,0,0,0|2,0,0]=4 20649 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,2,0,0,0,0|2,0,0]=4 20650 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,2,0,0,0,0|2,0,0]=4 20651 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,2,0,0,0,0|2,0,0]=4 20652 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000210314_100000731052 [0,2,0,0,0,0|2,0,0]=4 20653 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000731052_100000210757 [0,2,0,0,0,0|2,0,0]=4 20654 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,2,0,0,0,0|1,0,1]=4 20655 B12R0.4 CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000718602 [0,2,0,0,0,0|2,0,0]=4 20656 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|1,0,1]=4 20657 B12R0.4 CCCCOCCN(C)CC(C)O 2230a_100000227577_100000743108 [0,2,0,0,0,0|2,0,0]=4 20658 B12R0.4 CCCCOCCN(C)CC(C)O 269982a_100000227577_100000743108 [0,2,0,0,0,0|2,0,0]=4 20659 B12R0.4 CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210210 [0,2,0,0,0,0|2,0,0]=4 20660 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|1,0,1]=4 20661 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|1,0,1]=4 20662 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|1,0,1]=4 20663 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|0,0,1]=3 20664 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,2,0,0,0,0|1,0,1]=4 20665 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|1,0,1]=4 20666 B12R0.4 O=C(CCCCCCO)CC(F)F 1458a_100011996774_100011934356 [0,2,0,0,0,0|1,0,1]=4 20667 B12R0.49 CC(CO)N(C)CCCCCCF 2230a_100000693034_100015922095 [0,2,0,0,0,0|2,0,0]=4 20668 B12R0.49 CC(CO)N(C)CCCCCCF 269982a_100000693034_100015922095 [0,2,0,0,0,0|2,0,0]=4 20669 B12R0.49 CC(CO)N(C)CCCCCCO 2230a_100000693034_100000766143 [0,2,0,0,0,0|2,0,0]=4 20670 B12R0.49 CC(CO)N(C)CCCCCCO 269982a_100000693034_100000766143 [0,2,0,0,0,0|2,0,0]=4 20671 B12R0.49 CCC(=O)C(C)NCCCCCO 2230a_100000762737_100000742827 [0,2,0,0,0,0|1,0,1]=4 20672 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000742827_100000746330 [0,2,0,0,0,0|1,0,1]=4 20673 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000746330_100000742827 [0,2,0,0,0,0|1,0,1]=4 20674 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,2,0,0,0,0|1,0,1]=4 20675 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,2,0,0,0,0|0,0,1]=3 20676 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,2,0,0,0,0|0,0,1]=3 20677 B12R0.49 CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011192722 [0,2,0,0,0,0|1,0,1]=4 20678 B12R0.49 CCC(C)C(C)NCCCCCO 269862a_100000762737_100000210599 [0,2,0,0,0,0|1,0,0]=3 20679 B12R0.49 CCC(C)C(C)NCCCCCO 270004a_100000762737_100000210599 [0,2,0,0,0,0|1,0,0]=3 20680 B12R0.49 CCC(C)C(C)NCCOCCO 269862a_100000211614_100000210599 [0,2,0,0,0,0|2,0,0]=4 20681 B12R0.49 CCC(C)C(C)NCCOCCO 270004a_100000211614_100000210599 [0,2,0,0,0,0|2,0,0]=4 20682 B12R0.49 CCC(C)C(C)NCCSCCO 269862a_100011219999_100000210599 [0,2,0,0,0,0|2,0,0]=4 20683 B12R0.49 CCC(C)C(C)NCCSCCO 270004a_100011219999_100000210599 [0,2,0,0,0,0|2,0,0]=4 20684 B12R0.49 CCC(C)C(C)OCCCCCF 7a_100011215189_100000729378 [0,2,0,0,0,0|2,0,0]=4 20685 B12R0.49 CCC(C)C(C)OCCCCCO 7a_100011215189_100000746330 [0,2,0,0,0,0|1,0,0]=3 20686 B12R0.49 CCC(C)C(C)OCCOCCO 7a_100011215189_100011215305 [0,2,0,0,0,0|2,0,0]=4 20687 B12R0.49 CCC(C)N(C)CCCCCCF 2230a_100000741768_100015922095 [0,2,0,0,0,0|2,0,0]=4 20688 B12R0.49 CCC(C)N(C)CCCCCCF 269982a_100000741768_100015922095 [0,2,0,0,0,0|2,0,0]=4 20689 B12R0.49 CCC(C)N(C)CCCCCCO 2230a_100000741768_100000766143 [0,2,0,0,0,0|1,0,0]=3 20690 B12R0.49 CCC(C)N(C)CCCCCCO 269982a_100000741768_100000766143 [0,2,0,0,0,0|1,0,0]=3 20691 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|1,0,1]=4 20692 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|0,0,1]=3 20693 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,2,0,0,0,0|1,0,1]=4 20694 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|1,0,1]=4 20695 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|1,0,1]=4 20696 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|1,0,1]=4 20697 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|0,0,1]=3 20698 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|1,0,1]=4 20699 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|0,0,1]=3 20700 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,2,0,0,0,0|2,0,0]=4 20701 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,2,0,0,0,0|2,0,0]=4 20702 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|1,0,1]=4 20703 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|1,0,1]=4 20704 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000228206_100000758301 [0,2,0,0,0,0|2,0,0]=4 20705 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000741768_100000210681 [0,2,0,0,0,0|2,0,0]=4 20706 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000228206_100000758301 [0,2,0,0,0,0|2,0,0]=4 20707 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000741768_100000210681 [0,2,0,0,0,0|2,0,0]=4 20708 B12R0.49 CCCCCCCN(C)C(C)CO 2230a_100000228206_100012180447 [0,2,0,0,0,0|1,0,0]=3 20709 B12R0.49 CCCCCCCN(C)C(C)CO 2230a_100000693034_100000210681 [0,2,0,0,0,0|1,0,0]=3 20710 B12R0.49 CCCCCCCN(C)C(C)CO 269982a_100000693034_100000210681 [0,2,0,0,0,0|1,0,0]=3 20711 B12R0.49 CCCCCCCN(C)[C@H](C)CO 269982a_100000228206_100016084084 [0,2,0,0,0,0|1,0,0]=3 20712 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|1,0,1]=4 20713 B12R0.49 CCCCCCNC(C)C(C)CC 269862a_100000210581_100000210599 [0,2,0,0,0,0|2,0,0]=4 20714 B12R0.49 CCCCCCNC(C)C(C)CC 270004a_100000210581_100000210599 [0,2,0,0,0,0|2,0,0]=4 20715 B12R0.49 CCCCCCOC(C)C(C)CC 7a_100011215189_100000210314 [0,2,0,0,0,0|2,0,0]=4 20716 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|1,0,1]=4 20717 B12R0.49 CCCCOCCN(C)C(C)CO 2230a_100000693034_100000743108 [0,2,0,0,0,0|2,0,0]=4 20718 B12R0.49 CCCCOCCN(C)C(C)CO 269982a_100000693034_100000743108 [0,2,0,0,0,0|2,0,0]=4 20719 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,2,0,0,0,0|1,0,1]=4 20720 B12R0.49 CCN(C)C(C)COCCCCO 7a_100000732741_100000210776 [0,2,0,0,0,0|2,0,0]=4 20721 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,2,0,0,0,0|1,0,1]=4 20722 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [0,2,0,0,0,0|1,0,1]=4 20723 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|1,0,1]=4 20724 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|1,0,1]=4 20725 B12R0.101 CC(CCO)NC[C@H](C)CCCO 2230a_100160569302_100009893172 [0,2,0,0,0,0|2,0,0]=4 20726 B12R0.101 CC(CCO)NC[C@H](C)CCCO 34a_100160569302_100009893172 [0,2,0,0,0,0|2,0,0]=4 20727 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,2,0,0,0,0|1,0,1]=4 20728 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,2,0,0,0,0|1,0,1]=4 20729 B12R0.101 CCCC(C)CCC(C)NCCO 270004a_100000210304_200011216527 [0,2,0,0,0,0|1,0,0]=3 20730 B12R0.101 CCCC(C)COC(C)CCCCl 34a_200000718107_100011216630 [0,2,0,0,0,0|2,0,0]=4 20731 B12R0.101 CCCC(C)COC(C)CCCCl 7a_200000718107_100011216630 [0,2,0,0,0,0|2,0,0]=4 20732 B12R0.101 CCCC(C)NC[C@H](C)CCCO 2230a_100160569302_100000766640 [0,2,0,0,0,0|1,0,0]=3 20733 B12R0.101 CCCC(C)NC[C@H](C)CCCO 270004a_100160569302_100000211909 [0,2,0,0,0,0|1,0,0]=3 20734 B12R0.101 CCCC(C)NC[C@H](C)CCCO 34a_100160569302_100000766640 [0,2,0,0,0,0|1,0,0]=3 20735 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|1,0,1]=4 20736 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|1,0,1]=4 20737 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|0,0,1]=3 20738 B12R0.101 CCCCC(C)COC(C)CCC 34a_100011995851_100000766640 [0,2,0,0,0,0|2,0,0]=4 20739 B12R0.101 CCCCC(C)COC(C)CCC 7a_100011995851_100000766640 [0,2,0,0,0,0|2,0,0]=4 20740 B12R0.101 CCCCC(C)COC(C)CCO 34a_100011995851_100009893172 [0,2,0,0,0,0|1,0,0]=3 20741 B12R0.101 CCCCC(C)COC(C)CCO 7a_100011995851_100009893172 [0,2,0,0,0,0|1,0,0]=3 20742 B12R0.101 CCCCC(C)NCC(C)CCC 2230a_100000126638_100011216630 [0,2,0,0,0,0|2,0,0]=4 20743 B12R0.101 CCCCC(C)NCC(C)CCC 270004a_100000126638_100000243154 [0,2,0,0,0,0|2,0,0]=4 20744 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000687866_100011216630 [0,2,0,0,0,0|2,0,0]=4 20745 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000688023_200011215066 [0,2,0,0,0,0|2,0,0]=4 20746 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000687866_100011216630 [0,2,0,0,0,0|2,0,0]=4 20747 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000688023_200011215066 [0,2,0,0,0,0|2,0,0]=4 20748 B12R0.101 CCCCC(C)OCC(C)CCN 34a_106354213184_200011215066 [0,2,0,0,0,0|2,0,0]=4 20749 B12R0.101 CCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011215066 [0,2,0,0,0,0|2,0,0]=4 20750 B12R0.101 CCCCC(C)SCC(C)CCC 62a_100011216630_200011215066 [0,2,0,0,0,0|2,0,0]=4 20751 B12R0.101 CCCCC(C)SCC(C)CCC 62a_200011215066_100011216630 [0,2,0,0,0,0|2,0,0]=4 20752 B12R0.101 CCCC[C@H](N)COC(C)CCC 34a_100011934283_100000766640 [0,2,0,0,0,0|2,0,0]=4 20753 B12R0.101 CCCC[C@H](N)COC(C)CCO 34a_100011934283_100009893172 [0,2,0,0,0,0|1,0,0]=3 20754 B12R0.101 CCCNC(C)CCC(C)CCC 270004a_100020643023_200011216527 [0,2,0,0,0,0|2,0,0]=4 20755 B12R0.101 CCCOC(C)CNC(C)CCO 2230a_100015185124_100009893172 [0,2,0,0,0,0|2,0,0]=4 20756 B12R0.101 CCCOC(C)CNC(C)CCO 34a_100015185124_100009893172 [0,2,0,0,0,0|2,0,0]=4 20757 B12R0.101 CCOCC(O)CNC(C)CCO 2230a_102515437182_100009893172 [0,2,0,0,0,0|2,0,0]=4 20758 B12R0.101 CCOCC(O)CNC(C)CCO 34a_102515437182_100009893172 [0,2,0,0,0,0|2,0,0]=4 20759 B12R0.101 COCC(C)NC[C@H](C)CCCO 2230a_100160569302_100000765312 [0,2,0,0,0,0|2,0,0]=4 20760 B12R0.101 COCC(C)NC[C@H](C)CCCO 270004a_100160569302_100000749346 [0,2,0,0,0,0|2,0,0]=4 20761 B12R0.101 COCC(C)NC[C@H](C)CCCO 34a_100160569302_100000765312 [0,2,0,0,0,0|2,0,0]=4 20762 B12R0.101 CSCC(C)NC[C@H](C)CCCO 270004a_100160569302_100011216314 [0,2,0,0,0,0|2,0,0]=4 20763 B12R0.101 CSCC[C@H](N)COC(C)CCO 34a_100011827619_100009893172 [0,2,0,0,0,0|2,0,0]=4 20764 B12R0.114 CC(CCO)C(=O)CCCCCO 1458a_100102619762_100009893172 [0,2,0,0,0,0|1,0,1]=4 20765 B12R0.114 CC(CCO)N(C)CCCCCF 2230a_100000731037_100000729378 [0,2,0,0,0,0|2,0,0]=4 20766 B12R0.114 CC(CCO)N(C)CCCCCF 269982a_100000731037_100000729378 [0,2,0,0,0,0|2,0,0]=4 20767 B12R0.114 CC(CCO)N(C)CCCCCO 2230a_100000722520_100009893172 [0,2,0,0,0,0|2,0,0]=4 20768 B12R0.114 CC(CCO)N(C)CCCCCO 2230a_100000731037_100000746330 [0,2,0,0,0,0|2,0,0]=4 20769 B12R0.114 CC(CCO)N(C)CCCCCO 269982a_100000722520_100009893172 [0,2,0,0,0,0|2,0,0]=4 20770 B12R0.114 CC(CCO)N(C)CCCCCO 269982a_100000731037_100000746330 [0,2,0,0,0,0|2,0,0]=4 20771 B12R0.114 CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000211992 [0,2,0,0,0,0|1,0,1]=4 20772 B12R0.114 CCCC(C)C(=O)CCCCCF 1458a_100000210906_100000729378 [0,2,0,0,0,0|1,0,1]=4 20773 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100000210906_100000746330 [0,2,0,0,0,0|0,0,1]=3 20774 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100102619762_100000766640 [0,2,0,0,0,0|0,0,1]=3 20775 B12R0.114 CCCC(C)C(=O)CCOCCO 1458a_100000210906_100011215305 [0,2,0,0,0,0|1,0,1]=4 20776 B12R0.114 CCCC(C)C(=O)CCOCCO 1458a_100011229844_100000766640 [0,2,0,0,0,0|1,0,1]=4 20777 B12R0.114 CCCC(C)C(=O)NCCCCO 240690a_100000750430_100000210906 [0,2,0,0,0,0|1,0,1]=4 20778 B12R0.114 CCCC(C)C(=O)NCCCCO 527a_100000750430_100000210906 [0,2,0,0,0,0|1,0,1]=4 20779 B12R0.114 CCCC(C)C(C)NCCCCO 270004a_100000750430_100011216282 [0,2,0,0,0,0|1,0,0]=3 20780 B12R0.114 CCCC(C)C(C)OCCCCF 34a_100000708338_100000729493 [0,2,0,0,0,0|2,0,0]=4 20781 B12R0.114 CCCC(C)C(C)OCCCCF 7a_100000708338_100000729493 [0,2,0,0,0,0|2,0,0]=4 20782 B12R0.114 CCCC(C)C(C)OCCCCO 34a_100000708338_100011216708 [0,2,0,0,0,0|1,0,0]=3 20783 B12R0.114 CCCC(C)C(C)OCCCCO 7a_100000708338_100000210776 [0,2,0,0,0,0|1,0,0]=3 20784 B12R0.114 CCCC(C)N(C)CCCCCO 2230a_100000722520_100000766640 [0,2,0,0,0,0|1,0,0]=3 20785 B12R0.114 CCCC(C)N(C)CCCCCO 269982a_100000722520_100000766640 [0,2,0,0,0,0|1,0,0]=3 20786 B12R0.114 CCCC(C)N(C)CCCCCO 270004a_100000722520_100000211909 [0,2,0,0,0,0|1,0,0]=3 20787 B12R0.114 CCCC(C)N(C)CCOCCO 2230a_100000228057_100000766640 [0,2,0,0,0,0|2,0,0]=4 20788 B12R0.114 CCCC(C)N(C)CCOCCO 269982a_100000228057_100000766640 [0,2,0,0,0,0|2,0,0]=4 20789 B12R0.114 CCCC(C)N(C)CCOCCO 270004a_100000228057_100000211909 [0,2,0,0,0,0|2,0,0]=4 20790 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,2,0,0,0,0|1,0,1]=4 20791 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,2,0,0,0,0|1,0,1]=4 20792 B12R0.114 CCCCCCC(=O)C(C)CCO 1458a_100102632555_100009893172 [0,2,0,0,0,0|0,0,1]=3 20793 B12R0.114 CCCCCCC(=O)N(C)CCO 240690a_100000210263_100102632555 [0,2,0,0,0,0|1,0,1]=4 20794 B12R0.114 CCCCCCC(=O)N(C)CCO 527a_100000210263_100102632555 [0,2,0,0,0,0|1,0,1]=4 20795 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,2,0,0,0,0|1,0,1]=4 20796 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|1,0,1]=4 20797 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|0,0,1]=3 20798 B12R0.114 CCCCCCC(C)N(C)CCC 2230a_100000747261_100011215978 [0,2,0,0,0,0|2,0,0]=4 20799 B12R0.114 CCCCCCC(C)N(C)CCC 269982a_100000747261_100011215978 [0,2,0,0,0,0|2,0,0]=4 20800 B12R0.114 CCCCCCC(C)N(C)CCC 270004a_100000747261_100000210826 [0,2,0,0,0,0|2,0,0]=4 20801 B12R0.114 CCCCCCC(C)N(C)CCO 2230a_100000210263_100011215978 [0,2,0,0,0,0|1,0,0]=3 20802 B12R0.114 CCCCCCC(C)N(C)CCO 269982a_100000210263_100011215978 [0,2,0,0,0,0|1,0,0]=3 20803 B12R0.114 CCCCCCC(C)N(C)CCO 270004a_100000210263_100000210826 [0,2,0,0,0,0|1,0,0]=3 20804 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|1,0,1]=4 20805 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|1,0,1]=4 20806 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|0,0,1]=3 20807 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,2,0,0,0,0|1,0,1]=4 20808 B12R0.114 CCCCCCN(C)C(C)CCC 2230a_106256046315_100000766640 [0,2,0,0,0,0|2,0,0]=4 20809 B12R0.114 CCCCCCN(C)C(C)CCC 269982a_106256046315_100000766640 [0,2,0,0,0,0|2,0,0]=4 20810 B12R0.114 CCCCCCN(C)C(C)CCC 270004a_106256046315_100000211909 [0,2,0,0,0,0|2,0,0]=4 20811 B12R0.114 CCCCCCN(C)C(C)CCO 2230a_100000731037_100000210314 [0,2,0,0,0,0|1,0,0]=3 20812 B12R0.114 CCCCCCN(C)C(C)CCO 2230a_106256046315_100009893172 [0,2,0,0,0,0|1,0,0]=3 20813 B12R0.114 CCCCCCN(C)C(C)CCO 269982a_100000731037_100000210757 [0,2,0,0,0,0|1,0,0]=3 20814 B12R0.114 CCCCCCN(C)C(C)CCO 269982a_106256046315_100009893172 [0,2,0,0,0,0|1,0,0]=3 20815 B12R0.114 CCCCCNC(C)C(C)CCC 270004a_100000209983_100011216282 [0,2,0,0,0,0|2,0,0]=4 20816 B12R0.114 CCCCCOC(C)C(C)CCC 34a_100000708338_100000718602 [0,2,0,0,0,0|2,0,0]=4 20817 B12R0.114 CCCCCOC(C)C(C)CCC 7a_100000708338_100000210326 [0,2,0,0,0,0|2,0,0]=4 20818 B12R0.114 CCCCOCC(=O)C(C)CCO 1458a_100000757543_100009893172 [0,2,0,0,0,0|1,0,1]=4 20819 B12R0.114 CCCCOCN(C)C(C)CCO 2230a_100000731037_100011995733 [0,2,0,0,0,0|2,0,0]=4 20820 B12R0.114 CCCCOCN(C)C(C)CCO 269982a_100000731037_100011995733 [0,2,0,0,0,0|2,0,0]=4 20821 B12R0.114 CCCCSCC(=O)C(C)CCO 1458a_100000191162_100009893172 [0,2,0,0,0,0|1,0,1]=4 20822 B12R0.114 CCCN(C)C(=O)CCCCCO 240690a_100000747261_100102619762 [0,2,0,0,0,0|1,0,1]=4 20823 B12R0.114 CCCOCCN(C)C(C)CCO 2230a_100000731037_100011215938 [0,2,0,0,0,0|2,0,0]=4 20824 B12R0.114 CCCOCCN(C)C(C)CCO 269982a_100000731037_100011215938 [0,2,0,0,0,0|2,0,0]=4 20825 B12R0.114 CCC[C@H](O)C(=O)CCCCCF 1458a_100009822183_100000729378 [0,2,0,0,0,0|1,0,1]=4 20826 B12R0.114 CCC[C@H](O)C(=O)CCCCCO 1458a_100009822183_100000746330 [0,2,0,0,0,0|0,0,1]=3 20827 B12R0.114 CCC[C@H](O)C(=O)CCOCCO 1458a_100009822183_100011215305 [0,2,0,0,0,0|1,0,1]=4 20828 B12R0.114 CCC[C@H](O)C(=O)NCCCCO 240690a_100000750430_100009822183 [0,2,0,0,0,0|1,0,1]=4 20829 B12R0.114 CCOC(C)C(=O)CCCCCO 1458a_100000739345_100000746330 [0,2,0,0,0,0|1,0,1]=4 20830 B12R0.114 CCOCCCN(C)C(C)CCO 2230a_100000731037_100012232248 [0,2,0,0,0,0|2,0,0]=4 20831 B12R0.114 CCOCCCN(C)C(C)CCO 269982a_100000731037_100012232248 [0,2,0,0,0,0|2,0,0]=4 20832 B12R0.114 CCSC(C)C(=O)CCCCCO 1458a_100000230601_100000746330 [0,2,0,0,0,0|1,0,1]=4 20833 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100000751857_100000746330 [0,2,0,0,0,0|1,0,1]=4 20834 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100102619762_100000765312 [0,2,0,0,0,0|1,0,1]=4 20835 B12R0.114 COCC(C)N(C)CCCCCO 2230a_100000722520_100000765312 [0,2,0,0,0,0|2,0,0]=4 20836 B12R0.114 COCC(C)N(C)CCCCCO 269982a_100000722520_100000765312 [0,2,0,0,0,0|2,0,0]=4 20837 B12R0.114 COCC(C)N(C)CCCCCO 270004a_100000722520_100000749346 [0,2,0,0,0,0|2,0,0]=4 20838 B12R0.114 COCCCCN(C)C(C)CCO 2230a_100000731037_100000730899 [0,2,0,0,0,0|2,0,0]=4 20839 B12R0.114 COCCCCN(C)C(C)CCO 269982a_100000731037_100000730899 [0,2,0,0,0,0|2,0,0]=4 20840 B12R0.114 CSCC(C)C(=O)CCCCCO 1458a_100000753918_100000746330 [0,2,0,0,0,0|1,0,1]=4 20841 B12R0.114 CSCC(C)N(C)CCCCCO 270004a_100000722520_100011216314 [0,2,0,0,0,0|2,0,0]=4 20842 B12R0.121 C#CC(CCC)OCCCCCC 34a_200011217317_100000210314 [0,2,0,0,0,0|2,0,0]=4 20843 B12R0.121 C#CC(CCC)OCCCCCC 7a_200011217317_100000210314 [0,2,0,0,0,0|2,0,0]=4 20844 B12R0.121 C#CC(CCC)OCCCCCF 34a_200011217317_100000729378 [0,2,0,0,0,0|2,0,0]=4 20845 B12R0.121 C#CC(CCC)OCCCCCF 7a_200011217317_100000729378 [0,2,0,0,0,0|2,0,0]=4 20846 B12R0.121 C#CC(CCC)OCCCCCO 34a_200011217317_100000746330 [0,2,0,0,0,0|1,0,0]=3 20847 B12R0.121 C#CC(CCC)OCCCCCO 7a_200011217317_100000746330 [0,2,0,0,0,0|1,0,0]=3 20848 B12R0.121 C#CC(CCC)OCCOCCO 34a_200011217317_100000692535 [0,2,0,0,0,0|2,0,0]=4 20849 B12R0.121 C#CC(CCC)OCCOCCO 7a_200011217317_100011215305 [0,2,0,0,0,0|2,0,0]=4 20850 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [0,2,0,0,0,0|2,0,0]=4 20851 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [0,2,0,0,0,0|2,0,0]=4 20852 B12R0.121 C=CC(CCC)OCCCCCF 34a_100011216692_100000729378 [0,2,0,0,0,0|2,0,0]=4 20853 B12R0.121 C=CC(CCC)OCCCCCF 7a_100011216692_100000729378 [0,2,0,0,0,0|2,0,0]=4 20854 B12R0.121 C=CC(CCC)OCCCCCO 34a_100011216692_100000746330 [0,2,0,0,0,0|1,0,0]=3 20855 B12R0.121 C=CC(CCC)OCCCCCO 7a_100011216692_100000746330 [0,2,0,0,0,0|1,0,0]=3 20856 B12R0.121 C=CC(CCC)OCCOCCO 34a_100011216692_100000692535 [0,2,0,0,0,0|2,0,0]=4 20857 B12R0.121 C=CC(CCC)OCCOCCO 7a_100011216692_100011215305 [0,2,0,0,0,0|2,0,0]=4 20858 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,2,0,0,0,0|2,0,0]=4 20859 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,2,0,0,0,0|2,0,0]=4 20860 B12R0.121 C=CC(CCCCCCC)OCF 34a_200011934235_100015361967 [0,2,0,0,0,0|2,0,0]=4 20861 B12R0.121 C=CC(CCCCCCC)OCF 7a_200011934235_100015361967 [0,2,0,0,0,0|2,0,0]=4 20862 B12R0.121 CCC(COC)NCCCCCO 2230a_100000757820_100000746330 [0,2,0,0,0,0|2,0,0]=4 20863 B12R0.121 CCC(COC)NCCCCCO 270004a_100000762737_100000757811 [0,2,0,0,0,0|2,0,0]=4 20864 B12R0.121 CCC(COC)OCCCCCO 7a_200011214946_100000746330 [0,2,0,0,0,0|2,0,0]=4 20865 B12R0.121 CCCC(C#N)OCCCCCF 34a_100000686963_100000729378 [0,2,0,0,0,0|2,0,0]=4 20866 B12R0.121 CCCC(C#N)OCCCCCF 7a_100000686963_100000729378 [0,2,0,0,0,0|2,0,0]=4 20867 B12R0.121 CCCC(C#N)OCCCCCO 34a_100000686963_100000746330 [0,2,0,0,0,0|1,0,0]=3 20868 B12R0.121 CCCC(C#N)OCCCCCO 7a_100000686963_100000746330 [0,2,0,0,0,0|1,0,0]=3 20869 B12R0.121 CCCC(C#N)OCCOCCO 34a_100000686963_100000692535 [0,2,0,0,0,0|2,0,0]=4 20870 B12R0.121 CCCC(C#N)OCCOCCO 7a_100000686963_100011215305 [0,2,0,0,0,0|2,0,0]=4 20871 B12R0.121 CCCC(CC)NCCCCCF 2230a_100000747048_100000729378 [0,2,0,0,0,0|2,0,0]=4 20872 B12R0.121 CCCC(CC)NCCCCCO 2230a_100000747048_100000746330 [0,2,0,0,0,0|1,0,0]=3 20873 B12R0.121 CCCC(CC)NCCCCCO 270004a_100000762737_100000687865 [0,2,0,0,0,0|1,0,0]=3 20874 B12R0.121 CCCC(CC)NCCOCCO 2230a_100000747048_100011215305 [0,2,0,0,0,0|2,0,0]=4 20875 B12R0.121 CCCC(CC)NCCOCCO 270004a_100000211614_100000687865 [0,2,0,0,0,0|2,0,0]=4 20876 B12R0.121 CCCC(CC)NCCSCCO 270004a_100011219999_100000687865 [0,2,0,0,0,0|2,0,0]=4 20877 B12R0.121 CCCC(CC)OCCCCCBr 7a_100000746331_100011219200 [0,2,0,0,0,0|2,0,0]=4 20878 B12R0.121 CCCC(CC)OCCCCCCl 7a_100000746330_100011219200 [0,2,0,0,0,0|2,0,0]=4 20879 B12R0.121 CCCC(CC)OCCCCCF 34a_100000687864_100000729378 [0,2,0,0,0,0|2,0,0]=4 20880 B12R0.121 CCCC(CC)OCCCCCF 7a_100000687864_100000729378 [0,2,0,0,0,0|2,0,0]=4 20881 B12R0.121 CCCC(CC)OCCCCCI 7a_200012148887_100011219200 [0,2,0,0,0,0|2,0,0]=4 20882 B12R0.121 CCCC(CC)OCCCCCO 34a_100000687864_100000746330 [0,2,0,0,0,0|1,0,0]=3 20883 B12R0.121 CCCC(CC)OCCCCCO 7a_100000687864_100000746330 [0,2,0,0,0,0|1,0,0]=3 20884 B12R0.121 CCCC(CC)OCCOCCO 34a_100000687864_100000692535 [0,2,0,0,0,0|2,0,0]=4 20885 B12R0.121 CCCC(CC)OCCOCCO 7a_100000687864_100011215305 [0,2,0,0,0,0|2,0,0]=4 20886 B12R0.121 CCCC(CC)SCCCCCF 62a_100000729378_100011219200 [0,2,0,0,0,0|2,0,0]=4 20887 B12R0.121 CCCC(CC)SCCCCCF 62a_100011219200_100000729378 [0,2,0,0,0,0|2,0,0]=4 20888 B12R0.121 CCCC(CC)SCCCCCO 62a_100000746330_100011219200 [0,2,0,0,0,0|1,0,0]=3 20889 B12R0.121 CCCC(CC)SCCCCCO 62a_100011219200_100000746330 [0,2,0,0,0,0|1,0,0]=3 20890 B12R0.121 CCCC(CC)SCCOCCO 62a_100011215305_100011219200 [0,2,0,0,0,0|2,0,0]=4 20891 B12R0.121 CCCC(CC)SCCOCCO 62a_100011219200_100011215305 [0,2,0,0,0,0|2,0,0]=4 20892 B12R0.121 CCCC(CCOCCCF)SC 34a_100000032865_100011934791 [0,2,0,0,0,0|2,0,0]=4 20893 B12R0.121 CCCC(CCOCCCF)SC 7a_100000032865_100011934791 [0,2,0,0,0,0|2,0,0]=4 20894 B12R0.121 CCCC(CCOCCCO)SC 34a_100000032865_100000230001 [0,2,0,0,0,0|1,0,0]=3 20895 B12R0.121 CCCC(CCOCCCO)SC 7a_100000032865_100011215043 [0,2,0,0,0,0|1,0,0]=3 20896 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [0,2,0,0,0,0|2,0,0]=4 20897 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,2,0,0,0,0|2,0,0]=4 20898 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,2,0,0,0,0|2,0,0]=4 20899 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,2,0,0,0,0|2,0,0]=4 20900 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,2,0,0,0,0|2,0,0]=4 20901 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [0,2,0,0,0,0|1,0,0]=3 20902 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000226822_100000210681 [0,2,0,0,0,0|2,0,0]=4 20903 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000228213_100000210303 [0,2,0,0,0,0|2,0,0]=4 20904 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000226822_100000210681 [0,2,0,0,0,0|2,0,0]=4 20905 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000228213_100000210303 [0,2,0,0,0,0|2,0,0]=4 20906 B12R0.121 CCCCCCCN(CC)CCF 2230a_100000228213_100011217306 [0,2,0,0,0,0|2,0,0]=4 20907 B12R0.121 CCCCCCCN(CC)CCF 269982a_100000228213_100011217306 [0,2,0,0,0,0|2,0,0]=4 20908 B12R0.121 CCCCCCCN(CC)CCO 2230a_100000210973_100000210681 [0,2,0,0,0,0|1,0,0]=3 20909 B12R0.121 CCCCCCCN(CC)CCO 2230a_100000228213_100000211926 [0,2,0,0,0,0|1,0,0]=3 20910 B12R0.121 CCCCCCCN(CC)CCO 269982a_100000210973_100000210681 [0,2,0,0,0,0|1,0,0]=3 20911 B12R0.121 CCCCCCCN(CC)CCO 269982a_100000228213_100000211926 [0,2,0,0,0,0|1,0,0]=3 20912 B12R0.121 CCCCCCNC(CC)CCC 2230a_100000747048_100000210314 [0,2,0,0,0,0|2,0,0]=4 20913 B12R0.121 CCCCCCNC(CC)CCC 270004a_100000210581_100000687865 [0,2,0,0,0,0|2,0,0]=4 20914 B12R0.121 CCCCCCN[C@H](CO)CCC 2230a_100000732646_100000210314 [0,2,0,0,0,0|2,0,0]=4 20915 B12R0.121 CCCCCCN[C@H](CO)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|2,0,0]=4 20916 B12R0.121 CCCCCCOC(C#N)CCC 34a_100000686963_100000210314 [0,2,0,0,0,0|2,0,0]=4 20917 B12R0.121 CCCCCCOC(C#N)CCC 7a_100000686963_100000210314 [0,2,0,0,0,0|2,0,0]=4 20918 B12R0.121 CCCCCCOC(CC)CCC 34a_100000687864_100000210314 [0,2,0,0,0,0|2,0,0]=4 20919 B12R0.121 CCCCCCOC(CC)CCC 7a_100000210259_100011219200 [0,2,0,0,0,0|2,0,0]=4 20920 B12R0.121 CCCCCCOC(CC)CCC 7a_100000687864_100000210314 [0,2,0,0,0,0|2,0,0]=4 20921 B12R0.121 CCCCCCSC(CC)CCC 62a_100000210314_100011219200 [0,2,0,0,0,0|2,0,0]=4 20922 B12R0.121 CCCCCCSC(CC)CCC 62a_100011219200_100000210757 [0,2,0,0,0,0|2,0,0]=4 20923 B12R0.121 CCCCOCCC(CCC)SC 34a_100000032865_100000210210 [0,2,0,0,0,0|2,0,0]=4 20924 B12R0.121 CCCCOCCC(CCC)SC 7a_100000032865_100000210211 [0,2,0,0,0,0|2,0,0]=4 20925 B12R0.121 CCCCOCCN(CC)CCO 2230a_100000210973_100000743108 [0,2,0,0,0,0|2,0,0]=4 20926 B12R0.121 CCCCOCCN(CC)CCO 269982a_100000210973_100000743108 [0,2,0,0,0,0|2,0,0]=4 20927 B12R0.121 CCCN(CC)CCCCCCF 2230a_100000226822_100015922095 [0,2,0,0,0,0|2,0,0]=4 20928 B12R0.121 CCCN(CC)CCCCCCF 269982a_100000226822_100015922095 [0,2,0,0,0,0|2,0,0]=4 20929 B12R0.121 CCCN(CC)CCCCCCO 2230a_100000226822_100000766143 [0,2,0,0,0,0|1,0,0]=3 20930 B12R0.121 CCCN(CC)CCCCCCO 269982a_100000226822_100000766143 [0,2,0,0,0,0|1,0,0]=3 20931 B12R0.121 CCC[C@@H](CO)NCCCCCF 2230a_100000732646_100000729378 [0,2,0,0,0,0|2,0,0]=4 20932 B12R0.121 CCC[C@@H](CO)NCCCCCF 34a_100000732646_100000729378 [0,2,0,0,0,0|2,0,0]=4 20933 B12R0.121 CCC[C@@H](CO)NCCCCCO 2230a_100000732646_100000746330 [0,2,0,0,0,0|1,0,0]=3 20934 B12R0.121 CCC[C@@H](CO)NCCCCCO 34a_100000732646_100000746330 [0,2,0,0,0,0|1,0,0]=3 20935 B12R0.121 CCC[C@@H](CO)NCCOCCO 2230a_100000732646_100011215305 [0,2,0,0,0,0|2,0,0]=4 20936 B12R0.121 CCC[C@@H](CO)NCCOCCO 34a_100000732646_100000692535 [0,2,0,0,0,0|2,0,0]=4 20937 B12R0.121 CCN(CCO)CCCCCCF 2230a_100000210973_100015922095 [0,2,0,0,0,0|2,0,0]=4 20938 B12R0.121 CCN(CCO)CCCCCCF 269982a_100000210973_100015922095 [0,2,0,0,0,0|2,0,0]=4 20939 B12R0.121 CCN(CCO)CCCCCCO 2230a_100000210973_100000766143 [0,2,0,0,0,0|2,0,0]=4 20940 B12R0.121 CCN(CCO)CCCCCCO 269982a_100000210973_100000766143 [0,2,0,0,0,0|2,0,0]=4 20941 B12R0.121 CCOC(CC)CNCCCCO 2230a_100015183923_100000210776 [0,2,0,0,0,0|2,0,0]=4 20942 B12R0.121 CCOC(CC)CNCCCCO 34a_100015183923_100011216708 [0,2,0,0,0,0|2,0,0]=4 20943 B12R0.121 COCC(CCl)OCCCCCO 34a_100011215053_100000746330 [0,2,0,0,0,0|2,0,0]=4 20944 B12R0.121 COCC(CN)OCCCCCO 34a_100000756049_100000746330 [0,2,0,0,0,0|2,0,0]=4 20945 B12R0.121 COCC(CO)NCCCCCO 2230a_100000724102_100000746330 [0,2,0,0,0,0|2,0,0]=4 20946 B12R0.121 COCC(CO)NCCCCCO 34a_100000724102_100000746330 [0,2,0,0,0,0|2,0,0]=4 20947 B12R0.239 C=C(CCC)CC(=O)CCCCO 1458a_100000138376_100000210776 [0,2,0,0,0,0|0,0,2]=4 20948 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|0,0,2]=4 20949 B12R0.239 CCCC(=O)CN(C)CCCCO 2230a_100000717598_100000747444 [0,2,0,0,0,0|1,0,1]=4 20950 B12R0.239 CCCC(=O)CN(C)CCCCO 269982a_100000717598_100000747444 [0,2,0,0,0,0|1,0,1]=4 20951 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [0,2,0,0,0,0|1,0,1]=4 20952 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [0,2,0,0,0,0|0,0,1]=3 20953 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [0,2,0,0,0,0|0,0,1]=3 20954 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [0,2,0,0,0,0|1,0,1]=4 20955 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [0,2,0,0,0,0|1,0,1]=4 20956 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [0,2,0,0,0,0|1,0,1]=4 20957 B12R0.239 CCCC(C)CN(C)CCCCO 2230a_100000717598_100011216630 [0,2,0,0,0,0|1,0,0]=3 20958 B12R0.239 CCCC(C)CN(C)CCCCO 269982a_100000717598_100011216630 [0,2,0,0,0,0|1,0,0]=3 20959 B12R0.239 CCCC(C)CN(C)CCCCO 270004a_100000717598_100000243154 [0,2,0,0,0,0|1,0,0]=3 20960 B12R0.239 CCCC(C)NC(=O)CCCCO 1626a_100000741246_100000695505 [0,2,0,0,0,0|1,0,1]=4 20961 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|0,0,2]=4 20962 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,2,0,0,0,0|1,0,1]=4 20963 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,2,0,0,0,0|1,0,1]=4 20964 B12R0.239 CCCCCC(=O)CN(C)CCO 2230a_100000210263_200012276598 [0,2,0,0,0,0|1,0,1]=4 20965 B12R0.239 CCCCCC(=O)CN(C)CCO 269982a_100000210263_200012276598 [0,2,0,0,0,0|1,0,1]=4 20966 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000212188 [0,2,0,0,0,0|1,0,1]=4 20967 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000212188 [0,2,0,0,0,0|1,0,1]=4 20968 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,2,0,0,0,0|1,0,1]=4 20969 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000211957_100000766640 [0,2,0,0,0,0|2,0,0]=4 20970 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000741246_200011218191 [0,2,0,0,0,0|2,0,0]=4 20971 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000211957_100000211909 [0,2,0,0,0,0|2,0,0]=4 20972 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000741246_100000211708 [0,2,0,0,0,0|2,0,0]=4 20973 B12R0.239 CCCCCC(C)NC(C)CCO 2230a_100000211957_100009893172 [0,2,0,0,0,0|1,0,0]=3 20974 B12R0.239 CCCCCC(C)N[C@H](C)CCO 2230a_100000706166_200011218191 [0,2,0,0,0,0|1,0,0]=3 20975 B12R0.239 CCCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000211708 [0,2,0,0,0,0|1,0,0]=3 20976 B12R0.239 CCCCCC(C)N[C@H](C)CCO 34a_100000706166_200011218191 [0,2,0,0,0,0|1,0,0]=3 20977 B12R0.239 CCCCCC(C)OC(C)CCBr 34a_100012276601_200011218191 [0,2,0,0,0,0|2,0,0]=4 20978 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,2,0,0,0,0|2,0,0]=4 20979 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,2,0,0,0,0|2,0,0]=4 20980 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,2,0,0,0,0|2,0,0]=4 20981 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,2,0,0,0,0|2,0,0]=4 20982 B12R0.239 CCCCCC(C)OC(C)CCO 34a_100011215632_100009893172 [0,2,0,0,0,0|1,0,0]=3 20983 B12R0.239 CCCCCC(C)OC(C)CCO 7a_100011215632_100009893172 [0,2,0,0,0,0|1,0,0]=3 20984 B12R0.239 CCCCCC(C)SC(C)CCC 62a_100000766640_200011218191 [0,2,0,0,0,0|2,0,0]=4 20985 B12R0.239 CCCCCC(C)SC(C)CCC 62a_200011218191_100000766640 [0,2,0,0,0,0|2,0,0]=4 20986 B12R0.239 CCCCCC(C)SC(C)CCO 62a_100009893172_200011218191 [0,2,0,0,0,0|1,0,0]=3 20987 B12R0.239 CCCCCC(C)SC(C)CCO 62a_200011218191_100009893172 [0,2,0,0,0,0|1,0,0]=3 20988 B12R0.239 CCCCCN(C)CC(C)CCC 2230a_100000223495_100011216630 [0,2,0,0,0,0|2,0,0]=4 20989 B12R0.239 CCCCCN(C)CC(C)CCC 269982a_100000223495_100011216630 [0,2,0,0,0,0|2,0,0]=4 20990 B12R0.239 CCCCCN(C)CC(C)CCC 270004a_100000223495_100000243154 [0,2,0,0,0,0|2,0,0]=4 20991 B12R0.239 CCCS(=O)CC(=O)CCCCO 1458a_100011387404_100000210776 [0,2,0,0,0,0|1,0,1]=4 20992 B12R0.239 CCCSCC(C)N[C@H](C)CCO 270004a_100000706166_100011343953 [0,2,0,0,0,0|2,0,0]=4 20993 B12R0.239 CCOCCC(C)N[C@H](C)CCO 270004a_100000706166_200011216536 [0,2,0,0,0,0|2,0,0]=4 20994 B12R0.239 CCSC(C)CC(=O)CCCCO 1458a_200011311441_100000210776 [0,2,0,0,0,0|1,0,1]=4 20995 B12R0.239 COCC(O)CN(C)CCCCO 2230a_100000739405_100000210776 [0,2,0,0,0,0|2,0,0]=4 20996 B12R0.239 COCC(O)CN(C)CCCCO 269982a_100000739405_100000210776 [0,2,0,0,0,0|2,0,0]=4 20997 B12R0.239 COCCCC(C)OC(C)CCO 34a_200011539412_100009893172 [0,2,0,0,0,0|2,0,0]=4 20998 B12R0.239 COCCCC(C)OC(C)CCO 7a_200011539412_100009893172 [0,2,0,0,0,0|2,0,0]=4 20999 B12R0.239 CSCCCC(C)N[C@H](C)CCO 270004a_100000706166_100011399439 [0,2,0,0,0,0|2,0,0]=4 21000 B12R0.276 CC(CCO)OCCC[C@@H](C)CN 34a_100160569302_100009893172 [0,2,0,0,0,0|2,0,0]=4 21001 B12R0.276 CCC(C)CCCOC(C)CCO 7a_100011216074_100009893172 [0,2,0,0,0,0|1,0,0]=3 21002 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,2,0,0,0,0|1,0,1]=4 21003 B12R0.276 CCCC(C)CCCOC(C)CC 34a_100011713154_100011215416 [0,2,0,0,0,0|2,0,0]=4 21004 B12R0.276 CCCC(C)CCCOC(C)CC 7a_100011713154_100000758301 [0,2,0,0,0,0|2,0,0]=4 21005 B12R0.276 CCCC(C)CCCOC(C)CO 34a_100011713154_100012180447 [0,2,0,0,0,0|1,0,0]=3 21006 B12R0.276 CCCC(C)CCCOC(C)CO 7a_100011713154_100012180447 [0,2,0,0,0,0|1,0,0]=3 21007 B12R0.276 CCCC(C)CCOCC(C)CC 34a_100011217855_100000748023 [0,2,0,0,0,0|2,0,0]=4 21008 B12R0.276 CCCC(C)CCOCC(C)CC 7a_100011217855_100000748023 [0,2,0,0,0,0|2,0,0]=4 21009 B12R0.276 CCCC(C)CCOCC(O)CC 34a_100011217855_100011218378 [0,2,0,0,0,0|2,0,0]=4 21010 B12R0.276 CCCC(C)CCOCC(O)CC 7a_100011217855_100011218378 [0,2,0,0,0,0|2,0,0]=4 21011 B12R0.276 CCCC(C)CCOCC(O)CO 34a_100011217855_100011219619 [0,2,0,0,0,0|1,0,0]=3 21012 B12R0.276 CCCC(C)CCOCC(O)CO 7a_100011217855_100011219619 [0,2,0,0,0,0|1,0,0]=3 21013 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 34a_100011217855_100009816398 [0,2,0,0,0,0|2,0,0]=4 21014 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 7a_100011217855_100009816398 [0,2,0,0,0,0|2,0,0]=4 21015 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 34a_100011217855_100000059175 [0,2,0,0,0,0|1,0,0]=3 21016 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 7a_100011217855_100000059175 [0,2,0,0,0,0|1,0,0]=3 21017 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 34a_100011217855_100015614560 [0,2,0,0,0,0|2,0,0]=4 21018 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 7a_100011217855_100015614560 [0,2,0,0,0,0|2,0,0]=4 21019 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 34a_100011217855_100009815848 [0,2,0,0,0,0|1,0,0]=3 21020 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 7a_100011217855_100009815848 [0,2,0,0,0,0|1,0,0]=3 21021 B12R0.276 CCCC(C)CNCCC(C)CC 2230a_100020591266_100011216630 [0,2,0,0,0,0|2,0,0]=4 21022 B12R0.276 CCCC(C)CNCCC(C)CC 270004a_100020591266_100000243154 [0,2,0,0,0,0|2,0,0]=4 21023 B12R0.276 CCCC(C)CNCCC(C)CO 2230a_106354213184_100011216630 [0,2,0,0,0,0|1,0,0]=3 21024 B12R0.276 CCCC(C)CNCCC(C)CO 270004a_106354213184_100000243154 [0,2,0,0,0,0|1,0,0]=3 21025 B12R0.276 CCCC(C)CNCCC(C)CO 34a_106354213184_100011216630 [0,2,0,0,0,0|1,0,0]=3 21026 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,2,0,0,0,0|2,0,0]=4 21027 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,2,0,0,0,0|2,0,0]=4 21028 B12R0.276 CCCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000766640 [0,2,0,0,0,0|2,0,0]=4 21029 B12R0.276 CCC[C@H](N)CCOCC(C)CC 34a_100015193777_100000748023 [0,2,0,0,0,0|2,0,0]=4 21030 B12R0.276 CCC[C@H](N)CCOCC(O)CC 34a_100015193777_100011218378 [0,2,0,0,0,0|2,0,0]=4 21031 B12R0.276 CCC[C@H](N)CCOCC(O)CO 34a_100015193777_100011219619 [0,2,0,0,0,0|1,0,0]=3 21032 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CC 34a_100015193777_100009816398 [0,2,0,0,0,0|2,0,0]=4 21033 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CO 34a_100015193777_100000059175 [0,2,0,0,0,0|1,0,0]=3 21034 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CF 34a_100015193777_100015614560 [0,2,0,0,0,0|2,0,0]=4 21035 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CO 34a_100015193777_100009815848 [0,2,0,0,0,0|1,0,0]=3 21036 B12R0.276 CCN(C)CCCN[C@H](C)CCO 2230a_100000706166_100015186262 [0,2,0,0,0,0|2,0,0]=4 21037 B12R0.276 CCN(C)CCCSC(C)CCO 62a_100009893172_100015186262 [0,2,0,0,0,0|2,0,0]=4 21038 B12R0.276 COCC(O)CNCCC(C)CO 34a_106354213184_100011215053 [0,2,0,0,0,0|2,0,0]=4 21039 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,2,0,0,0,0|1,0,1]=4 21040 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,2,0,0,0,0|1,0,1]=4 21041 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,2,0,0,0,0|1,0,1]=4 21042 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|1,0,1]=4 21043 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|0,0,1]=3 21044 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|0,0,1]=3 21045 B12R0.277 CC(C)CCCCCN(C)CCO 2230a_100000210263_100000210682 [0,2,0,0,0,0|1,0,0]=3 21046 B12R0.277 CC(C)CCCCCN(C)CCO 269982a_100000210263_100000210682 [0,2,0,0,0,0|1,0,0]=3 21047 B12R0.277 CC(C)CCCCN[C@H](C)CCO 2230a_100000706166_100011216152 [0,2,0,0,0,0|1,0,0]=3 21048 B12R0.277 CC(C)CCCCN[C@H](C)CCO 34a_100000706166_100011216152 [0,2,0,0,0,0|1,0,0]=3 21049 B12R0.277 CC(C)CCCCOC(C)CCBr 34a_100012276601_100011216152 [0,2,0,0,0,0|2,0,0]=4 21050 B12R0.277 CC(C)CCCCOC(C)CCO 34a_100011214890_100009893172 [0,2,0,0,0,0|1,0,0]=3 21051 B12R0.277 CC(C)CCCCOC(C)CCO 7a_100011214890_100009893172 [0,2,0,0,0,0|1,0,0]=3 21052 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100009893172_100011216152 [0,2,0,0,0,0|1,0,0]=3 21053 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100011216152_100009893172 [0,2,0,0,0,0|1,0,0]=3 21054 B12R0.277 CC(C)CCCOCC(C)CCN 34a_106354213184_100011214892 [0,2,0,0,0,0|2,0,0]=4 21055 B12R0.277 CC(C)CNCCOC(C)CCO 34a_100015185251_100009893172 [0,2,0,0,0,0|2,0,0]=4 21056 B12R0.277 CC(C)COCCOC(C)CCO 34a_100000703358_100009893172 [0,2,0,0,0,0|2,0,0]=4 21057 B12R0.277 CC(C)COCCOC(C)CCO 7a_100000703358_100009893172 [0,2,0,0,0,0|2,0,0]=4 21058 B12R0.277 CC(C)CSCCOC(C)CCO 34a_200000230437_100009893172 [0,2,0,0,0,0|2,0,0]=4 21059 B12R0.277 CC(C)CSCCOC(C)CCO 7a_200000230437_100009893172 [0,2,0,0,0,0|2,0,0]=4 21060 B12R0.277 CC(C)NCCCOC(C)CCO 34a_100000182298_100009893172 [0,2,0,0,0,0|2,0,0]=4 21061 B12R0.277 CC(CCO)NCCCOC(C)C 2230a_100000737246_100009893172 [0,2,0,0,0,0|2,0,0]=4 21062 B12R0.277 CC(CCO)NCCCOC(C)C 34a_100000737246_100009893172 [0,2,0,0,0,0|2,0,0]=4 21063 B12R0.277 CC(CCO)SCCCCN(C)C 62a_100009893172_100000690147 [0,2,0,0,0,0|2,0,0]=4 21064 B12R0.277 CC(O)CCCOCC(C)CCN 34a_106354213184_200000718107 [0,2,0,0,0,0|2,0,0]=4 21065 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,2,0,0,0,0|1,0,1]=4 21066 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|1,0,1]=4 21067 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|1,0,1]=4 21068 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,2,0,0,0,0|1,0,1]=4 21069 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,2,0,0,0,0|1,0,1]=4 21070 B12R0.277 CCCC(C)CCCOCC(C)C 34a_100011713154_100000210624 [0,2,0,0,0,0|2,0,0]=4 21071 B12R0.277 CCCC(C)CCCOCC(C)C 7a_100011713154_100000210760 [0,2,0,0,0,0|2,0,0]=4 21072 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,2,0,0,0,0|1,0,0]=3 21073 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,2,0,0,0,0|1,0,0]=3 21074 B12R0.277 CCCC(C)CCCOCC(F)F 34a_100011713154_100011934356 [0,2,0,0,0,0|2,0,0]=4 21075 B12R0.277 CCCC(C)CCCOCC(F)F 7a_100011713154_100011934356 [0,2,0,0,0,0|2,0,0]=4 21076 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,2,0,0,0,0|1,0,0]=3 21077 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,2,0,0,0,0|1,0,0]=3 21078 B12R0.277 CCCC(C)CCOCCC(C)C 34a_100011217855_100000210312 [0,2,0,0,0,0|2,0,0]=4 21079 B12R0.277 CCCC(C)CCOCCC(C)C 7a_100011217855_100000210626 [0,2,0,0,0,0|2,0,0]=4 21080 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,2,0,0,0,0|1,0,0]=3 21081 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,2,0,0,0,0|1,0,0]=3 21082 B12R0.277 CCCC(C)CNCCCC(C)C 2230a_200000737386_100011216630 [0,2,0,0,0,0|2,0,0]=4 21083 B12R0.277 CCCC(C)CNCCCC(C)C 270004a_200000737386_100000243154 [0,2,0,0,0,0|2,0,0]=4 21084 B12R0.277 CCCC(C)CNCCCC(C)C 34a_200000737386_100011216630 [0,2,0,0,0,0|2,0,0]=4 21085 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,2,0,0,0,0|2,0,0]=4 21086 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,2,0,0,0,0|2,0,0]=4 21087 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,2,0,0,0,0|2,0,0]=4 21088 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,2,0,0,0,0|2,0,0]=4 21089 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,2,0,0,0,0|1,0,0]=3 21090 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,2,0,0,0,0|1,0,0]=3 21091 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011214892_100011216630 [0,2,0,0,0,0|2,0,0]=4 21092 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011216630_100011214892 [0,2,0,0,0,0|2,0,0]=4 21093 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,2,0,0,0,0|1,0,0]=3 21094 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,2,0,0,0,0|1,0,0]=3 21095 B12R0.277 CCCC(C)NCCCCB(O)O 2230a_100000741246_200009817182 [0,2,0,0,0,0|2,0,0]=4 21096 B12R0.277 CCCC(C)NCCCCC(C)C 2230a_100000741246_100011216152 [0,2,0,0,0,0|2,0,0]=4 21097 B12R0.277 CCCC(C)OCCCCB(O)O 34a_100000764384_200009817182 [0,2,0,0,0,0|2,0,0]=4 21098 B12R0.277 CCCC(C)OCCCCB(O)O 7a_100000764384_200009817182 [0,2,0,0,0,0|2,0,0]=4 21099 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,2,0,0,0,0|2,0,0]=4 21100 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,2,0,0,0,0|2,0,0]=4 21101 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,2,0,0,0,0|2,0,0]=4 21102 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,2,0,0,0,0|2,0,0]=4 21103 B12R0.277 CCCC(C)SCCCCB(O)O 62a_100000766640_200009817182 [0,2,0,0,0,0|2,0,0]=4 21104 B12R0.277 CCCC(C)SCCCCB(O)O 62a_200009817182_100000766640 [0,2,0,0,0,0|2,0,0]=4 21105 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100000766640_100011216152 [0,2,0,0,0,0|2,0,0]=4 21106 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100011216152_100000766640 [0,2,0,0,0,0|2,0,0]=4 21107 B12R0.277 CCCN(C)CCCCCB(O)O 2230a_100000747261_200009817188 [0,2,0,0,0,0|2,0,0]=4 21108 B12R0.277 CCCN(C)CCCCCB(O)O 269982a_100000747261_200009817188 [0,2,0,0,0,0|2,0,0]=4 21109 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,2,0,0,0,0|2,0,0]=4 21110 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,2,0,0,0,0|2,0,0]=4 21111 B12R0.277 CCC[C@H](N)CCOCCC(C)C 34a_100015193777_100000210312 [0,2,0,0,0,0|2,0,0]=4 21112 B12R0.277 CCC[C@H](N)CCOCCC(C)O 34a_100015193777_100012276601 [0,2,0,0,0,0|1,0,0]=3 21113 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,2,0,0,0,0|2,0,0]=4 21114 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,2,0,0,0,0|1,0,0]=3 21115 B12R0.277 COCC(N)COCCCC(C)O 34a_100000724102_200000718107 [0,2,0,0,0,0|2,0,0]=4 21116 B12R0.277 COCC(O)CNCCCC(C)O 2230a_100000756049_200000718107 [0,2,0,0,0,0|2,0,0]=4 21117 B12R0.277 COCC(O)CNCCCC(C)O 34a_100000756049_200000718107 [0,2,0,0,0,0|2,0,0]=4 21118 B12R0.277 COCC(O)CSCCCC(C)O 62a_100011215053_200000718107 [0,2,0,0,0,0|2,0,0]=4 21119 B12R0.277 COCC(O)CSCCCC(C)O 62a_200000718107_100011215053 [0,2,0,0,0,0|2,0,0]=4 21120 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,2,0,0,0,0|2,0,0]=4 21121 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,2,0,0,0,0|2,0,0]=4 21122 B12R0.285 CCCC(C)CCOC(C)CCO 34a_100011217855_100009893172 [0,2,0,0,0,0|1,0,0]=3 21123 B12R0.285 CCCC(C)CCOC(C)CCO 7a_100011217855_100009893172 [0,2,0,0,0,0|1,0,0]=3 21124 B12R0.285 CCCC(C)COCC(C)CCC 34a_100000688023_100011216630 [0,2,0,0,0,0|2,0,0]=4 21125 B12R0.285 CCCC(C)COCC(C)CCC 7a_100000688023_100011216630 [0,2,0,0,0,0|2,0,0]=4 21126 B12R0.285 CCCC(C)COCC(C)CCN 34a_106354213184_100011216630 [0,2,0,0,0,0|2,0,0]=4 21127 B12R0.285 CCCC(C)COC[C@@H](N)CCC 34a_100000732646_100011216630 [0,2,0,0,0,0|2,0,0]=4 21128 B12R0.285 CCCC(C)CSCC(C)CCC 62a_100011216630_100011216630 [0,2,0,0,0,0|2,0,0]=4 21129 B12R0.285 CCCC(C)OCC[C@@H](N)CCC 34a_100015193777_100000766640 [0,2,0,0,0,0|2,0,0]=4 21130 B12R0.285 CCC[C@H](N)CCOC(C)CCO 34a_100015193777_100009893172 [0,2,0,0,0,0|1,0,0]=3 21131 B12R0.434 CC(C)(CCBr)OCCCCCO 7a_100000702414_100000746330 [0,2,0,0,0,0|2,0,0]=4 21132 B12R0.434 CCCC(C)(C)COCCCCF 7a_100011995695_100000729493 [0,2,0,0,0,0|2,0,0]=4 21133 B12R0.434 CCCC(C)(C)COCCCCO 7a_100011995695_100000210776 [0,2,0,0,0,0|1,0,0]=3 21134 B12R0.434 CCCC(C)(C)OCCCCCF 7a_100000748436_100000729378 [0,2,0,0,0,0|2,0,0]=4 21135 B12R0.434 CCCC(C)(C)OCCCCCO 7a_100000748436_100000746330 [0,2,0,0,0,0|1,0,0]=3 21136 B12R0.434 CCCC(C)(C)OCCOCCO 7a_100000748436_100011215305 [0,2,0,0,0,0|2,0,0]=4 21137 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,2,0,0,0,0|2,0,0]=4 21138 B12R0.434 CCCCCCCC(C)(C)SCC 62a_100000210202_200000046972 [0,2,0,0,0,0|2,0,0]=4 21139 B12R0.434 CCCCCCCC(C)(C)SCC 62a_200000046972_100000210202 [0,2,0,0,0,0|2,0,0]=4 21140 B12R0.434 CCCCCCCC(C)(C)SCF 62a_100015361967_200000046972 [0,2,0,0,0,0|2,0,0]=4 21141 B12R0.434 CCCCCCCC(C)(C)SCF 62a_200000046972_100015361967 [0,2,0,0,0,0|2,0,0]=4 21142 B12R0.434 CCCCCCOC(C)(C)CCBr 7a_100000702414_100000210314 [0,2,0,0,0,0|2,0,0]=4 21143 B12R0.434 CCCCCCOC(C)(C)CCC 7a_100000748436_100000210314 [0,2,0,0,0,0|2,0,0]=4 21144 B12R0.434 CCCCCOCC(C)(C)CCC 7a_100011995695_100000210326 [0,2,0,0,0,0|2,0,0]=4 21145 B12R0.434 CCCCCOC[N+](C)(C)CCO 7a_100000210253_200010270792 [0,2,0,0,0,0|2,0,0]=4 21146 B12R0.434 CCCCCSC[N+](C)(C)CCO 62a_100000210326_200010270792 [0,2,0,0,0,0|2,0,0]=4 21147 B12R0.434 CCCCCSC[N+](C)(C)CCO 62a_200010270792_100000210326 [0,2,0,0,0,0|2,0,0]=4 21148 B12R0.434 CCCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211391 [0,2,0,0,0,0|2,0,0]=4 21149 B12R0.434 CCCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211391 [0,2,0,0,0,0|2,0,0]=4 21150 B12R0.434 CCCS(=O)(=O)NCCCCCO 40a_100000762737_100000054278 [0,2,0,0,0,0|2,0,0]=4 21151 B12R0.434 CCNC(C)(C)COCCCCO 7a_100000747347_100000210776 [0,2,0,0,0,0|2,0,0]=4 21152 B12R0.434 COCC(C)(C)CNCCCCO 2230a_100000734190_100000210776 [0,2,0,0,0,0|2,0,0]=4 21153 B12R0.434 COCC(C)(C)NCCCCCO 2230a_100000752728_100000746330 [0,2,0,0,0,0|2,0,0]=4 21154 B12R0.434 CSCC(C)(C)NCCCCCO 2230a_100000759623_100000746330 [0,2,0,0,0,0|2,0,0]=4 21155 B12R0.434 CSCC(C)(C)NCCCCCO 7a_100000759623_100000746330 [0,2,0,0,0,0|2,0,0]=4 21156 B12R0.57 C#CC(CC)OCCCCCCC 34a_100000758843_100000210614 [0,2,0,0,0,0|2,0,0]=4 21157 B12R0.57 C#CC(CC)OCCCCCCC 7a_100000758843_100000210614 [0,2,0,0,0,0|2,0,0]=4 21158 B12R0.57 C#CC(CC)OCCCCCCF 34a_100000758843_100015922095 [0,2,0,0,0,0|2,0,0]=4 21159 B12R0.57 C#CC(CC)OCCCCCCF 7a_100000758843_100015922095 [0,2,0,0,0,0|2,0,0]=4 21160 B12R0.57 C#CC(CC)OCCCCCCO 34a_100000758843_100000766143 [0,2,0,0,0,0|1,0,0]=3 21161 B12R0.57 C#CC(CC)OCCCCCCO 7a_100000758843_100000766143 [0,2,0,0,0,0|1,0,0]=3 21162 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,2,0,0,0,0|2,0,0]=4 21163 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,2,0,0,0,0|2,0,0]=4 21164 B12R0.57 C=CC(CC)OCCCCCCF 34a_100000766422_100015922095 [0,2,0,0,0,0|2,0,0]=4 21165 B12R0.57 C=CC(CC)OCCCCCCF 7a_100000766422_100015922095 [0,2,0,0,0,0|2,0,0]=4 21166 B12R0.57 C=CC(CC)OCCCCCCO 34a_100000766422_100000766143 [0,2,0,0,0,0|1,0,0]=3 21167 B12R0.57 C=CC(CC)OCCCCCCO 7a_100000766422_100000766143 [0,2,0,0,0,0|1,0,0]=3 21168 B12R0.57 C=C[C@@H](CO)NCCCCCCC 2230a_100016989147_100000210681 [0,2,0,0,0,0|1,0,0]=3 21169 B12R0.57 C=C[C@@H](CO)NCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|1,0,0]=3 21170 B12R0.57 C=C[C@@H](CO)NCCCCCCF 2230a_100016989147_100015922095 [0,2,0,0,0,0|2,0,0]=4 21171 B12R0.57 C=C[C@@H](CO)NCCCCCCF 34a_100016989147_100015922095 [0,2,0,0,0,0|2,0,0]=4 21172 B12R0.57 C=C[C@@H](CO)NCCCCCCO 2230a_100016989147_100000766143 [0,2,0,0,0,0|2,0,0]=4 21173 B12R0.57 C=C[C@@H](CO)NCCCCCCO 34a_100016989147_100000766143 [0,2,0,0,0,0|2,0,0]=4 21174 B12R0.57 C=C[C@@H](CO)NCCOCCCC 2230a_100016989147_100000743108 [0,2,0,0,0,0|2,0,0]=4 21175 B12R0.57 C=C[C@@H](CO)NCCOCCCC 34a_100016989147_100000743108 [0,2,0,0,0,0|2,0,0]=4 21176 B12R0.57 CCC(CC)CNCCCCCF 2230a_100102946423_100000729378 [0,2,0,0,0,0|2,0,0]=4 21177 B12R0.57 CCC(CC)CNCCCCCO 2230a_100000762737_100011215472 [0,2,0,0,0,0|1,0,0]=3 21178 B12R0.57 CCC(CC)CNCCCCCO 2230a_100102946423_100000746330 [0,2,0,0,0,0|1,0,0]=3 21179 B12R0.57 CCC(CC)CNCCCCCO 269862a_100000762737_100000211137 [0,2,0,0,0,0|1,0,0]=3 21180 B12R0.57 CCC(CC)CNCCCCCO 270004a_100000762737_100000211137 [0,2,0,0,0,0|1,0,0]=3 21181 B12R0.57 CCC(CC)CNCCCCCO 34a_100000762737_100011215472 [0,2,0,0,0,0|1,0,0]=3 21182 B12R0.57 CCC(CC)CNCCOCCO 2230a_100000211614_100011215472 [0,2,0,0,0,0|2,0,0]=4 21183 B12R0.57 CCC(CC)CNCCOCCO 2230a_100102946423_100011215305 [0,2,0,0,0,0|2,0,0]=4 21184 B12R0.57 CCC(CC)CNCCOCCO 269862a_100000211614_100000211137 [0,2,0,0,0,0|2,0,0]=4 21185 B12R0.57 CCC(CC)CNCCOCCO 270004a_100000211614_100000211137 [0,2,0,0,0,0|2,0,0]=4 21186 B12R0.57 CCC(CC)CNCCOCCO 34a_100000211614_100011215472 [0,2,0,0,0,0|2,0,0]=4 21187 B12R0.57 CCC(CC)CNCCSCCO 2230a_100011219999_100011215472 [0,2,0,0,0,0|2,0,0]=4 21188 B12R0.57 CCC(CC)CNCCSCCO 269862a_100011219999_100000211137 [0,2,0,0,0,0|2,0,0]=4 21189 B12R0.57 CCC(CC)CNCCSCCO 270004a_100011219999_100000211137 [0,2,0,0,0,0|2,0,0]=4 21190 B12R0.57 CCC(CC)COCCCCCBr 34a_100000746331_100011215472 [0,2,0,0,0,0|2,0,0]=4 21191 B12R0.57 CCC(CC)COCCCCCBr 7a_100000746331_100011215472 [0,2,0,0,0,0|2,0,0]=4 21192 B12R0.57 CCC(CC)COCCCCCCl 34a_100000746330_100011215472 [0,2,0,0,0,0|2,0,0]=4 21193 B12R0.57 CCC(CC)COCCCCCCl 7a_100000746330_100011215472 [0,2,0,0,0,0|2,0,0]=4 21194 B12R0.57 CCC(CC)COCCCCCF 7a_100000703878_100000729378 [0,2,0,0,0,0|2,0,0]=4 21195 B12R0.57 CCC(CC)COCCCCCI 34a_200012148887_100011215472 [0,2,0,0,0,0|2,0,0]=4 21196 B12R0.57 CCC(CC)COCCCCCI 7a_200012148887_100011215472 [0,2,0,0,0,0|2,0,0]=4 21197 B12R0.57 CCC(CC)COCCCCCN 34a_100000762737_100011215472 [0,2,0,0,0,0|2,0,0]=4 21198 B12R0.57 CCC(CC)COCCCCCO 7a_100000703878_100000746330 [0,2,0,0,0,0|1,0,0]=3 21199 B12R0.57 CCC(CC)COCCOCCO 7a_100000703878_100011215305 [0,2,0,0,0,0|2,0,0]=4 21200 B12R0.57 CCC(CC)CSCCCCCF 62a_100000729378_100011215472 [0,2,0,0,0,0|2,0,0]=4 21201 B12R0.57 CCC(CC)CSCCCCCF 62a_100011215472_100000729378 [0,2,0,0,0,0|2,0,0]=4 21202 B12R0.57 CCC(CC)CSCCCCCO 62a_100000746330_100011215472 [0,2,0,0,0,0|1,0,0]=3 21203 B12R0.57 CCC(CC)CSCCCCCO 62a_100011215472_100000746330 [0,2,0,0,0,0|1,0,0]=3 21204 B12R0.57 CCC(CC)CSCCOCCO 62a_100011215305_100011215472 [0,2,0,0,0,0|2,0,0]=4 21205 B12R0.57 CCC(CC)CSCCOCCO 62a_100011215472_100011215305 [0,2,0,0,0,0|2,0,0]=4 21206 B12R0.57 CCC(CC)NCCCCCCF 2230a_100000199018_100015922095 [0,2,0,0,0,0|2,0,0]=4 21207 B12R0.57 CCC(CC)NCCCCCCO 2230a_100000199018_100000766143 [0,2,0,0,0,0|1,0,0]=3 21208 B12R0.57 CCC(CC)NCCCCCCO 270004a_100000686447_100000210860 [0,2,0,0,0,0|1,0,0]=3 21209 B12R0.57 CCC(CC)OCCCCCCBr 7a_100011215345_100000210505 [0,2,0,0,0,0|2,0,0]=4 21210 B12R0.57 CCC(CC)OCCCCCCCl 7a_100000766143_100000210505 [0,2,0,0,0,0|2,0,0]=4 21211 B12R0.57 CCC(CC)OCCCCCCF 7a_100000688536_100015922095 [0,2,0,0,0,0|2,0,0]=4 21212 B12R0.57 CCC(CC)OCCCCCCF 7a_100000732779_100000210505 [0,2,0,0,0,0|2,0,0]=4 21213 B12R0.57 CCC(CC)OCCCCCCO 7a_100000688536_100000766143 [0,2,0,0,0,0|1,0,0]=3 21214 B12R0.57 CCC(CC)SCCCCCCF 62a_100000210505_100015922095 [0,2,0,0,0,0|2,0,0]=4 21215 B12R0.57 CCC(CC)SCCCCCCF 62a_100015922095_100000210505 [0,2,0,0,0,0|2,0,0]=4 21216 B12R0.57 CCC(CC)SCCCCCCO 62a_100000210505_100000766143 [0,2,0,0,0,0|1,0,0]=3 21217 B12R0.57 CCC(CC)SCCCCCCO 62a_100000766143_100000210505 [0,2,0,0,0,0|1,0,0]=3 21218 B12R0.57 CCC(COCCCCCF)OC 34a_100011934954_100000729378 [0,2,0,0,0,0|2,0,0]=4 21219 B12R0.57 CCC(COCCCCCF)OC 7a_100011934954_100000729378 [0,2,0,0,0,0|2,0,0]=4 21220 B12R0.57 CCC(COCCCCCO)OC 34a_100011934954_100000746330 [0,2,0,0,0,0|1,0,0]=3 21221 B12R0.57 CCC(COCCCCCO)OC 7a_100011934954_100000746330 [0,2,0,0,0,0|1,0,0]=3 21222 B12R0.57 CCC(COCCOCCO)OC 34a_100011934954_100000692535 [0,2,0,0,0,0|2,0,0]=4 21223 B12R0.57 CCC(COCCOCCO)OC 7a_100011934954_100011215305 [0,2,0,0,0,0|2,0,0]=4 21224 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [0,2,0,0,0,0|1,0,0]=3 21225 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|1,0,0]=3 21226 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|1,0,0]=3 21227 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|1,0,0]=3 21228 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|1,0,0]=3 21229 B12R0.57 CCCCCCCCN(CC)CC 2230a_100000724800_100000210759 [0,2,0,0,0,0|2,0,0]=4 21230 B12R0.57 CCCCCCCCN(CC)CC 269956a_100000042499_100000210759 [0,2,0,0,0,0|2,0,0]=4 21231 B12R0.57 CCCCCCCCN(CC)CC 269982a_100000724800_100000210759 [0,2,0,0,0,0|2,0,0]=4 21232 B12R0.57 CCCCCCCNC(CC)CC 2230a_100000199018_100000210681 [0,2,0,0,0,0|2,0,0]=4 21233 B12R0.57 CCCCCCCNC(CC)CC 270004a_100000229938_100000210860 [0,2,0,0,0,0|2,0,0]=4 21234 B12R0.57 CCCCCCCNC(CO)CO 2230a_100000759517_100000210681 [0,2,0,0,0,0|1,0,0]=3 21235 B12R0.57 CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210681 [0,2,0,0,0,0|1,0,0]=3 21236 B12R0.57 CCCCCCCOC(CC)CC 7a_100000210272_100000210505 [0,2,0,0,0,0|2,0,0]=4 21237 B12R0.57 CCCCCCCOC(CC)CC 7a_100000688536_100000210614 [0,2,0,0,0,0|2,0,0]=4 21238 B12R0.57 CCCCCCCOC(CCl)CCl 7a_100000737055_100000210614 [0,2,0,0,0,0|2,0,0]=4 21239 B12R0.57 CCCCCCCOC(CF)CF 34a_100000032261_100000210614 [0,2,0,0,0,0|2,0,0]=4 21240 B12R0.57 CCCCCCCOC(CF)CF 7a_100000032261_100000210614 [0,2,0,0,0,0|2,0,0]=4 21241 B12R0.57 CCCCCCCOC(CN)CN 34a_100000031598_100000210614 [0,2,0,0,0,0|2,0,0]=4 21242 B12R0.57 CCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210614 [0,2,0,0,0,0|2,0,0]=4 21243 B12R0.57 CCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210614 [0,2,0,0,0,0|2,0,0]=4 21244 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210505_100000210316 [0,2,0,0,0,0|2,0,0]=4 21245 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210614_100000210505 [0,2,0,0,0,0|2,0,0]=4 21246 B12R0.57 CCCCCCNCC(CC)CC 2230a_100000210581_100011215472 [0,2,0,0,0,0|2,0,0]=4 21247 B12R0.57 CCCCCCNCC(CC)CC 2230a_100102946423_100000210314 [0,2,0,0,0,0|2,0,0]=4 21248 B12R0.57 CCCCCCNCC(CC)CC 269862a_100000210581_100000211137 [0,2,0,0,0,0|2,0,0]=4 21249 B12R0.57 CCCCCCNCC(CC)CC 270004a_100000210581_100000211137 [0,2,0,0,0,0|2,0,0]=4 21250 B12R0.57 CCCCCCOCC(CC)CC 34a_100000210259_100011215472 [0,2,0,0,0,0|2,0,0]=4 21251 B12R0.57 CCCCCCOCC(CC)CC 7a_100000210259_100011215472 [0,2,0,0,0,0|2,0,0]=4 21252 B12R0.57 CCCCCCOCC(CC)CC 7a_100000703878_100000210314 [0,2,0,0,0,0|2,0,0]=4 21253 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,2,0,0,0,0|2,0,0]=4 21254 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,2,0,0,0,0|2,0,0]=4 21255 B12R0.57 CCCCCCSCC(CC)CC 62a_100000210314_100011215472 [0,2,0,0,0,0|2,0,0]=4 21256 B12R0.57 CCCCCCSCC(CC)CC 62a_100011215472_100000210757 [0,2,0,0,0,0|2,0,0]=4 21257 B12R0.57 CCCCOCCNC(CO)CO 2230a_100000759517_100000743108 [0,2,0,0,0,0|2,0,0]=4 21258 B12R0.57 CCCCOCCN[C@@H](CC)CO 2230a_100000709445_100000743108 [0,2,0,0,0,0|2,0,0]=4 21259 B12R0.57 CCN(CC)CCCCCCCO 2230a_100000724800_100000760002 [0,2,0,0,0,0|1,0,0]=3 21260 B12R0.57 CCN(CC)CCCCCCCO 269956a_100000042499_100000760002 [0,2,0,0,0,0|1,0,0]=3 21261 B12R0.57 CCN(CC)CCCCCCCO 269982a_100000724800_100000760002 [0,2,0,0,0,0|1,0,0]=3 21262 B12R0.57 CCN(CC)CCCCNCCO 2230a_100000743895_100000211926 [0,2,0,0,0,0|2,0,0]=4 21263 B12R0.57 CCN(CC)CCCCOCCO 7a_100011305530_100000211926 [0,2,0,0,0,0|2,0,0]=4 21264 B12R0.57 CCN(CC)CCCOCCCO 7a_100000212844_100011215043 [0,2,0,0,0,0|2,0,0]=4 21265 B12R0.57 CCN(CC)CCCSCCCO 62a_100011215043_100000709985 [0,2,0,0,0,0|2,0,0]=4 21266 B12R0.57 CCN(CC)CCNCCCCO 2230a_100000750430_100000700428 [0,2,0,0,0,0|2,0,0]=4 21267 B12R0.57 CCN(CC)CCNCCCCO 2230a_100015382049_100000210776 [0,2,0,0,0,0|2,0,0]=4 21268 B12R0.57 CCN(CC)CCOCCCCO 7a_100016990331_100000210776 [0,2,0,0,0,0|2,0,0]=4 21269 B12R0.57 CCN(CC)CCSCCCCO 62a_100000210776_100000700428 [0,2,0,0,0,0|2,0,0]=4 21270 B12R0.57 CCN(CC)COCCCCCO 7a_200015374951_100000746330 [0,2,0,0,0,0|2,0,0]=4 21271 B12R0.57 CCN(CCCCOCCO)N=O 34a_200000035056_100000211926 [0,2,0,0,0,0|2,0,0]=4 21272 B12R0.57 CC[C@@H](CO)NCCCCCCF 2230a_100000709445_100015922095 [0,2,0,0,0,0|2,0,0]=4 21273 B12R0.57 CC[C@@H](CO)NCCCCCCO 2230a_100000709445_100000766143 [0,2,0,0,0,0|1,0,0]=3 21274 B12R0.57 COC(CCCSCCCO)OC 62a_100000069011_100011215043 [0,2,0,0,0,0|2,0,0]=4 21275 B12R0.57 COC(CCCSCCCO)OC 62a_100011215043_100000069011 [0,2,0,0,0,0|2,0,0]=4 21276 B12R0.57 COC(CCNCCCCO)OC 2230a_100000750430_100009813347 [0,2,0,0,0,0|2,0,0]=4 21277 B12R0.57 COC(CCNCCCCO)OC 34a_100000750430_100000139399 [0,2,0,0,0,0|2,0,0]=4 21278 B12R0.57 COC(CCSCCCCO)OC 62a_100000139399_100000210776 [0,2,0,0,0,0|2,0,0]=4 21279 B12R0.57 COC(CCSCCCCO)OC 62a_100000210776_100000139399 [0,2,0,0,0,0|2,0,0]=4 21280 B12R0.57 COC(CNCCCCCO)OC 2230a_100000762737_100000751394 [0,2,0,0,0,0|2,0,0]=4 21281 B12R0.57 COC(CNCCCCCO)OC 270004a_100000762737_100000752162 [0,2,0,0,0,0|2,0,0]=4 21282 B12R0.57 COC(CNCCCCCO)OC 34a_100000762737_100000211822 [0,2,0,0,0,0|2,0,0]=4 21283 B12R0.57 COC(COCCCCCO)OC 34a_100011216393_100000746330 [0,2,0,0,0,0|2,0,0]=4 21284 B12R0.57 COC(CSCCCCCO)OC 62a_100000746330_100000751394 [0,2,0,0,0,0|2,0,0]=4 21285 B12R0.57 COC(CSCCCCCO)OC 62a_100000751394_100000746330 [0,2,0,0,0,0|2,0,0]=4 21286 B12R0.57 NCC(CN)OCCCCCCO 34a_100000031598_100000766143 [0,2,0,0,0,0|2,0,0]=4 21287 B12R0.57 OCC(CO)NCCCCCCF 2230a_100000759517_100015922095 [0,2,0,0,0,0|2,0,0]=4 21288 B12R0.57 OCCCCCCNC(CO)CO 2230a_100000759517_100000766143 [0,2,0,0,0,0|2,0,0]=4 21289 B12R0.57 OCCCCCCOC(CCl)CCl 7a_100000737055_100000766143 [0,2,0,0,0,0|2,0,0]=4 21290 B12R0.57 OCCCCCCOC(CF)CF 34a_100000032261_100000766143 [0,2,0,0,0,0|2,0,0]=4 21291 B12R0.57 OCCCCCCOC(CF)CF 7a_100000032261_100000766143 [0,2,0,0,0,0|2,0,0]=4 21292 B12R0.57 OCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000766143 [0,2,0,0,0,0|2,0,0]=4 21293 B12R0.57 OCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000766143 [0,2,0,0,0,0|2,0,0]=4 21294 B12R0.102 CCC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748023 [0,2,0,0,0,0|1,0,0]=3 21295 B12R0.102 CCC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000243153 [0,2,0,0,0,0|1,0,0]=3 21296 B12R0.102 CCC(C)CNC[C@H](C)CCCO 34a_100160569302_100000748023 [0,2,0,0,0,0|1,0,0]=3 21297 B12R0.102 CCC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218378 [0,2,0,0,0,0|1,0,0]=3 21298 B12R0.102 CCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218378 [0,2,0,0,0,0|1,0,0]=3 21299 B12R0.102 CCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210183 [0,2,0,0,0,0|1,0,1]=4 21300 B12R0.102 CCCCC(=O)NCCC(C)CO 527a_106354213184_100000210183 [0,2,0,0,0,0|1,0,1]=4 21301 B12R0.102 CCCCC(C)COCC(C)CC 34a_100011995851_100000748023 [0,2,0,0,0,0|2,0,0]=4 21302 B12R0.102 CCCCC(C)COCC(C)CC 7a_100011995851_100000748023 [0,2,0,0,0,0|2,0,0]=4 21303 B12R0.102 CCCCC(C)COCC(O)CC 34a_100011995851_100011218378 [0,2,0,0,0,0|2,0,0]=4 21304 B12R0.102 CCCCC(C)COCC(O)CC 7a_100011995851_100011218378 [0,2,0,0,0,0|2,0,0]=4 21305 B12R0.102 CCCCC(C)COCC(O)CO 34a_100011995851_100011219619 [0,2,0,0,0,0|1,0,0]=3 21306 B12R0.102 CCCCC(C)COCC(O)CO 7a_100011995851_100011219619 [0,2,0,0,0,0|1,0,0]=3 21307 B12R0.102 CCCCC(C)COC[C@@H](C)CC 34a_100011995851_100009816398 [0,2,0,0,0,0|2,0,0]=4 21308 B12R0.102 CCCCC(C)COC[C@@H](C)CC 7a_100011995851_100009816398 [0,2,0,0,0,0|2,0,0]=4 21309 B12R0.102 CCCCC(C)COC[C@@H](C)CO 34a_100011995851_100000059175 [0,2,0,0,0,0|1,0,0]=3 21310 B12R0.102 CCCCC(C)COC[C@@H](C)CO 7a_100011995851_100000059175 [0,2,0,0,0,0|1,0,0]=3 21311 B12R0.102 CCCCC(C)COC[C@@H](O)CF 34a_100011995851_100015614560 [0,2,0,0,0,0|2,0,0]=4 21312 B12R0.102 CCCCC(C)COC[C@@H](O)CF 7a_100011995851_100015614560 [0,2,0,0,0,0|2,0,0]=4 21313 B12R0.102 CCCCC(C)COC[C@@H](O)CO 34a_100011995851_100009815848 [0,2,0,0,0,0|1,0,0]=3 21314 B12R0.102 CCCCC(C)COC[C@@H](O)CO 7a_100011995851_100009815848 [0,2,0,0,0,0|1,0,0]=3 21315 B12R0.102 CCCCC(C)NCCC(C)CC 2230a_100020591266_200011215066 [0,2,0,0,0,0|2,0,0]=4 21316 B12R0.102 CCCCC(C)NCCC(C)CC 270004a_100020591266_100000210087 [0,2,0,0,0,0|2,0,0]=4 21317 B12R0.102 CCCCC(C)NCCC(C)CO 2230a_106354213184_200011215066 [0,2,0,0,0,0|1,0,0]=3 21318 B12R0.102 CCCCC(C)NCCC(C)CO 270004a_106354213184_100000210087 [0,2,0,0,0,0|1,0,0]=3 21319 B12R0.102 CCCCC(C)NCCC(C)CO 34a_106354213184_200011215066 [0,2,0,0,0,0|1,0,0]=3 21320 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,2,0,0,0,0|2,0,0]=4 21321 B12R0.102 CCCC[C@H](N)COCC(C)CC 34a_100011934283_100000748023 [0,2,0,0,0,0|2,0,0]=4 21322 B12R0.102 CCCC[C@H](N)COCC(O)CC 34a_100011934283_100011218378 [0,2,0,0,0,0|2,0,0]=4 21323 B12R0.102 CCCC[C@H](N)COCC(O)CO 34a_100011934283_100011219619 [0,2,0,0,0,0|1,0,0]=3 21324 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CC 34a_100011934283_100009816398 [0,2,0,0,0,0|2,0,0]=4 21325 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CO 34a_100011934283_100000059175 [0,2,0,0,0,0|1,0,0]=3 21326 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CF 34a_100011934283_100015614560 [0,2,0,0,0,0|2,0,0]=4 21327 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CO 34a_100011934283_100009815848 [0,2,0,0,0,0|1,0,0]=3 21328 B12R0.102 CCCOC(C)CNCC(O)CO 2230a_100015185124_100011219619 [0,2,0,0,0,0|2,0,0]=4 21329 B12R0.102 CCCOC(C)CNCC(O)CO 34a_100015185124_100011219619 [0,2,0,0,0,0|2,0,0]=4 21330 B12R0.102 CCCOC(C)CNC[C@@H](C)CO 2230a_100015185124_100000059175 [0,2,0,0,0,0|2,0,0]=4 21331 B12R0.102 CCCOC(C)CNC[C@@H](C)CO 34a_100015185124_100000059175 [0,2,0,0,0,0|2,0,0]=4 21332 B12R0.102 CCCOC(C)CNC[C@@H](O)CO 2230a_100015185124_100009815848 [0,2,0,0,0,0|2,0,0]=4 21333 B12R0.102 CCCOC(C)CNC[C@@H](O)CO 34a_100015185124_100009815848 [0,2,0,0,0,0|2,0,0]=4 21334 B12R0.102 CCN(C)CCCN(C)CCCO 2230a_100000213112_100015186262 [0,2,0,0,0,0|2,0,0]=4 21335 B12R0.102 CCN(C)CCCN(C)CCCO 269982a_100000213112_100015186262 [0,2,0,0,0,0|2,0,0]=4 21336 B12R0.102 CCOCC(O)CNCC(O)CO 2230a_102515437182_100011219619 [0,2,0,0,0,0|2,0,0]=4 21337 B12R0.102 CCOCC(O)CNCC(O)CO 34a_102515437182_100011219619 [0,2,0,0,0,0|2,0,0]=4 21338 B12R0.102 CCOCC(O)CNC[C@@H](C)CO 2230a_102515437182_100000059175 [0,2,0,0,0,0|2,0,0]=4 21339 B12R0.102 CCOCC(O)CNC[C@@H](C)CO 34a_102515437182_100000059175 [0,2,0,0,0,0|2,0,0]=4 21340 B12R0.102 CCOCC(O)CNC[C@@H](O)CO 2230a_102515437182_100009815848 [0,2,0,0,0,0|2,0,0]=4 21341 B12R0.102 CCOCC(O)CNC[C@@H](O)CO 34a_102515437182_100009815848 [0,2,0,0,0,0|2,0,0]=4 21342 B12R0.102 CCSCC(C)NCCC(C)CO 270004a_106354213184_200011216171 [0,2,0,0,0,0|2,0,0]=4 21343 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 2230a_100160569302_100009816398 [0,2,0,0,0,0|1,0,0]=3 21344 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 34a_100160569302_100009816398 [0,2,0,0,0,0|1,0,0]=3 21345 B12R0.102 COCCC(C)NCCC(C)CO 270004a_106354213184_100000742357 [0,2,0,0,0,0|2,0,0]=4 21346 B12R0.102 CSCCC(C)NCCC(C)CO 270004a_106354213184_100011217047 [0,2,0,0,0,0|2,0,0]=4 21347 B12R0.102 CSCC[C@H](N)COCC(O)CO 34a_100011827619_100011219619 [0,2,0,0,0,0|2,0,0]=4 21348 B12R0.102 CSCC[C@H](N)COC[C@@H](C)CO 34a_100011827619_100000059175 [0,2,0,0,0,0|2,0,0]=4 21349 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CO 34a_100011827619_100009815848 [0,2,0,0,0,0|2,0,0]=4 21350 B12R0.102 C[C@H](CCCO)CNCC(O)CO 2230a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 21351 B12R0.102 C[C@H](CCCO)CNCC(O)CO 34a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 21352 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 2230a_100160569302_100000059175 [0,2,0,0,0,0|2,0,0]=4 21353 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 34a_100160569302_100000059175 [0,2,0,0,0,0|2,0,0]=4 21354 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 2230a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 21355 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 34a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 21356 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 2230a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 21357 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 34a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 21358 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|0,0,2]=4 21359 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [0,2,0,0,0,0|1,0,1]=4 21360 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,2,0,0,0,0|1,0,1]=4 21361 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,2,0,0,0,0|0,0,1]=3 21362 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,2,0,0,0,0|0,0,1]=3 21363 B12R0.113 CCC(C)CC(=O)CCOCCO 1458a_100000708755_100011215305 [0,2,0,0,0,0|1,0,1]=4 21364 B12R0.113 CCC(C)CC(=O)CCOCCO 1458a_100011229844_100000748023 [0,2,0,0,0,0|1,0,1]=4 21365 B12R0.113 CCC(C)CC(=O)NCCCCO 240690a_100000750430_100000708755 [0,2,0,0,0,0|1,0,1]=4 21366 B12R0.113 CCC(C)CC(=O)NCCCCO 527a_100000750430_100000708755 [0,2,0,0,0,0|1,0,1]=4 21367 B12R0.113 CCC(C)CC(C)NCCCCF 2230a_100000763565_100000729493 [0,2,0,0,0,0|2,0,0]=4 21368 B12R0.113 CCC(C)CC(C)NCCCCO 2230a_100000763565_100000210776 [0,2,0,0,0,0|1,0,0]=3 21369 B12R0.113 CCC(C)CC(C)NCCCCO 270004a_100000750430_100011710205 [0,2,0,0,0,0|1,0,0]=3 21370 B12R0.113 CCC(C)CN(C)CCCCCF 2230a_100000753921_100000729378 [0,2,0,0,0,0|2,0,0]=4 21371 B12R0.113 CCC(C)CN(C)CCCCCF 269982a_100000753921_100000729378 [0,2,0,0,0,0|2,0,0]=4 21372 B12R0.113 CCC(C)CN(C)CCCCCO 2230a_100000722520_100000748023 [0,2,0,0,0,0|1,0,0]=3 21373 B12R0.113 CCC(C)CN(C)CCCCCO 2230a_100000753921_100000746330 [0,2,0,0,0,0|1,0,0]=3 21374 B12R0.113 CCC(C)CN(C)CCCCCO 269982a_100000722520_100000748023 [0,2,0,0,0,0|1,0,0]=3 21375 B12R0.113 CCC(C)CN(C)CCCCCO 269982a_100000753921_100000746330 [0,2,0,0,0,0|1,0,0]=3 21376 B12R0.113 CCC(C)CN(C)CCCCCO 270004a_100000722520_100000243153 [0,2,0,0,0,0|1,0,0]=3 21377 B12R0.113 CCC(C)CN(C)CCOCCO 2230a_100000228057_100000748023 [0,2,0,0,0,0|2,0,0]=4 21378 B12R0.113 CCC(C)CN(C)CCOCCO 2230a_100000753921_100011215305 [0,2,0,0,0,0|2,0,0]=4 21379 B12R0.113 CCC(C)CN(C)CCOCCO 269982a_100000228057_100000748023 [0,2,0,0,0,0|2,0,0]=4 21380 B12R0.113 CCC(C)CN(C)CCOCCO 269982a_100000753921_100011215305 [0,2,0,0,0,0|2,0,0]=4 21381 B12R0.113 CCC(C)CN(C)CCOCCO 270004a_100000228057_100000243153 [0,2,0,0,0,0|2,0,0]=4 21382 B12R0.113 CCC(C)NC(=O)CCCCCO 240690a_100000209981_100102619762 [0,2,0,0,0,0|1,0,1]=4 21383 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,2,0,0,0,0|1,0,1]=4 21384 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,2,0,0,0,0|0,0,1]=3 21385 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,2,0,0,0,0|0,0,1]=3 21386 B12R0.113 CCC(O)CC(=O)CCOCCO 1458a_100011229844_100011218378 [0,2,0,0,0,0|1,0,1]=4 21387 B12R0.113 CCC(O)CC(=O)CCOCCO 1458a_100011667805_100011215305 [0,2,0,0,0,0|1,0,1]=4 21388 B12R0.113 CCC(O)CC(=O)NCCCCO 240690a_100000750430_100011667805 [0,2,0,0,0,0|1,0,1]=4 21389 B12R0.113 CCC(O)CN(C)CCCCCO 2230a_100000722520_100011218378 [0,2,0,0,0,0|1,0,0]=3 21390 B12R0.113 CCC(O)CN(C)CCCCCO 269982a_100000722520_100011218378 [0,2,0,0,0,0|1,0,0]=3 21391 B12R0.113 CCC(O)CN(C)CCOCCO 2230a_100000228057_100011218378 [0,2,0,0,0,0|2,0,0]=4 21392 B12R0.113 CCC(O)CN(C)CCOCCO 269982a_100000228057_100011218378 [0,2,0,0,0,0|2,0,0]=4 21393 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,1]=4 21394 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,1]=4 21395 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|1,0,1]=4 21396 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|1,0,1]=4 21397 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,1]=4 21398 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,2,0,0,0,0|0,0,1]=3 21399 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100102632555 [0,2,0,0,0,0|1,0,1]=4 21400 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100102632555 [0,2,0,0,0,0|1,0,1]=4 21401 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|1,0,1]=4 21402 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|1,0,1]=4 21403 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000209981_100011215978 [0,2,0,0,0,0|2,0,0]=4 21404 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000210919_100000758301 [0,2,0,0,0,0|2,0,0]=4 21405 B12R0.113 CCCCCCC(C)NC(C)CC 270004a_100000209981_100000210826 [0,2,0,0,0,0|2,0,0]=4 21406 B12R0.113 CCCCCCC(C)NC(C)CC 34a_100000210919_100011215416 [0,2,0,0,0,0|2,0,0]=4 21407 B12R0.113 CCCCCCC(C)NC(C)CO 2230a_100000210919_100012180447 [0,2,0,0,0,0|1,0,0]=3 21408 B12R0.113 CCCCCCC(C)NC(C)CO 34a_100000210919_100012180447 [0,2,0,0,0,0|1,0,0]=3 21409 B12R0.113 CCCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210826 [0,2,0,0,0,0|2,0,0]=4 21410 B12R0.113 CCCCCCC(C)N[C@H](C)CO 2230a_100000737577_100011215978 [0,2,0,0,0,0|1,0,0]=3 21411 B12R0.113 CCCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210826 [0,2,0,0,0,0|1,0,0]=3 21412 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,2,0,0,0,0|2,0,0]=4 21413 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,2,0,0,0,0|2,0,0]=4 21414 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,2,0,0,0,0|2,0,0]=4 21415 B12R0.113 CCCCCCC(C)OC(C)CF 34a_100016041109_100011215978 [0,2,0,0,0,0|2,0,0]=4 21416 B12R0.113 CCCCCCC(C)OC(C)CF 7a_100016041109_100011215978 [0,2,0,0,0,0|2,0,0]=4 21417 B12R0.113 CCCCCCC(C)OC(C)CN 34a_100000210904_100011215978 [0,2,0,0,0,0|2,0,0]=4 21418 B12R0.113 CCCCCCC(C)OC(C)CO 34a_100000210265_100012180447 [0,2,0,0,0,0|1,0,0]=3 21419 B12R0.113 CCCCCCC(C)OC(C)CO 7a_100000210265_100012180447 [0,2,0,0,0,0|1,0,0]=3 21420 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100000758301_100011215978 [0,2,0,0,0,0|2,0,0]=4 21421 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100011215978_100000758301 [0,2,0,0,0,0|2,0,0]=4 21422 B12R0.113 CCCCCCC(C)SC(C)CO 62a_100012180447_100011215978 [0,2,0,0,0,0|1,0,0]=3 21423 B12R0.113 CCCCCCC(C)S[C@H](C)CO 62a_100011215978_100016084084 [0,2,0,0,0,0|1,0,0]=3 21424 B12R0.113 CCCCCCC(C)S[C@H](C)CO 62a_100016084084_100011215978 [0,2,0,0,0,0|1,0,0]=3 21425 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_100000753921_100000210314 [0,2,0,0,0,0|2,0,0]=4 21426 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_106256046315_100000748023 [0,2,0,0,0,0|2,0,0]=4 21427 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_100000753921_100000210757 [0,2,0,0,0,0|2,0,0]=4 21428 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_106256046315_100000748023 [0,2,0,0,0,0|2,0,0]=4 21429 B12R0.113 CCCCCCN(C)CC(C)CC 270004a_106256046315_100000243153 [0,2,0,0,0,0|2,0,0]=4 21430 B12R0.113 CCCCCCN(C)CC(O)CC 2230a_106256046315_100011218378 [0,2,0,0,0,0|2,0,0]=4 21431 B12R0.113 CCCCCCN(C)CC(O)CC 269982a_106256046315_100011218378 [0,2,0,0,0,0|2,0,0]=4 21432 B12R0.113 CCCCCCN(C)CC(O)CO 2230a_100011216503_100000210314 [0,2,0,0,0,0|1,0,0]=3 21433 B12R0.113 CCCCCCN(C)CC(O)CO 2230a_106256046315_100011219619 [0,2,0,0,0,0|1,0,0]=3 21434 B12R0.113 CCCCCCN(C)CC(O)CO 269982a_100011216503_100000210757 [0,2,0,0,0,0|1,0,0]=3 21435 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 2230a_106256046315_100009816398 [0,2,0,0,0,0|2,0,0]=4 21436 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 269982a_106256046315_100009816398 [0,2,0,0,0,0|2,0,0]=4 21437 B12R0.113 CCCCCCN(C)C[C@@H](C)CO 2230a_106256046315_100000059175 [0,2,0,0,0,0|1,0,0]=3 21438 B12R0.113 CCCCCCN(C)C[C@@H](C)CO 269982a_106256046315_100000059175 [0,2,0,0,0,0|1,0,0]=3 21439 B12R0.113 CCCCCCN(C)C[C@@H](O)CF 2230a_106256046315_100015614560 [0,2,0,0,0,0|2,0,0]=4 21440 B12R0.113 CCCCCCN(C)C[C@@H](O)CO 2230a_106256046315_100009815848 [0,2,0,0,0,0|1,0,0]=3 21441 B12R0.113 CCCCCNC(C)CC(C)CC 2230a_100000763565_100000210326 [0,2,0,0,0,0|2,0,0]=4 21442 B12R0.113 CCCCCNC(C)CC(C)CC 270004a_100000209983_100011710205 [0,2,0,0,0,0|2,0,0]=4 21443 B12R0.113 CCCCOCC(=O)C[C@@H](C)CO 1458a_100000757543_100000059175 [0,2,0,0,0,0|1,0,1]=4 21444 B12R0.113 CCCCOCC(C)OC(C)CO 34a_100011217071_100012180447 [0,2,0,0,0,0|2,0,0]=4 21445 B12R0.113 CCCCOCC(C)OC(C)CO 7a_100011217071_100012180447 [0,2,0,0,0,0|2,0,0]=4 21446 B12R0.113 CCCCOCN(C)CC(O)CO 2230a_100011216503_100011995733 [0,2,0,0,0,0|2,0,0]=4 21447 B12R0.113 CCCCOCN(C)CC(O)CO 269982a_100011216503_100011995733 [0,2,0,0,0,0|2,0,0]=4 21448 B12R0.113 CCCCSCC(=O)C[C@@H](C)CO 1458a_100000191162_100000059175 [0,2,0,0,0,0|1,0,1]=4 21449 B12R0.113 CCCOCCN(C)CC(O)CO 2230a_100011216503_100011215938 [0,2,0,0,0,0|2,0,0]=4 21450 B12R0.113 CCCOCCN(C)CC(O)CO 269982a_100011216503_100011215938 [0,2,0,0,0,0|2,0,0]=4 21451 B12R0.113 CCN(C)CC(=O)CCCCCO 1458a_100116209913_100000746330 [0,2,0,0,0,0|1,0,1]=4 21452 B12R0.113 CCOCCCN(C)CC(O)CO 2230a_100011216503_100012232248 [0,2,0,0,0,0|2,0,0]=4 21453 B12R0.113 CCOCCCN(C)CC(O)CO 269982a_100011216503_100012232248 [0,2,0,0,0,0|2,0,0]=4 21454 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,2,0,0,0,0|0,0,1]=3 21455 B12R0.113 CC[C@H](C)CC(=O)CCOCCO 1458a_100011229844_100009816398 [0,2,0,0,0,0|1,0,1]=4 21456 B12R0.113 CC[C@H](C)CN(C)CCCCCO 2230a_100000722520_100009816398 [0,2,0,0,0,0|1,0,0]=3 21457 B12R0.113 CC[C@H](C)CN(C)CCCCCO 269982a_100000722520_100009816398 [0,2,0,0,0,0|1,0,0]=3 21458 B12R0.113 CC[C@H](C)CN(C)CCOCCO 2230a_100000228057_100009816398 [0,2,0,0,0,0|2,0,0]=4 21459 B12R0.113 CC[C@H](C)CN(C)CCOCCO 269982a_100000228057_100009816398 [0,2,0,0,0,0|2,0,0]=4 21460 B12R0.113 CN(CCCCCF)CC(O)CO 2230a_100011216503_100000729378 [0,2,0,0,0,0|2,0,0]=4 21461 B12R0.113 CN(CCCCCF)CC(O)CO 269982a_100011216503_100000729378 [0,2,0,0,0,0|2,0,0]=4 21462 B12R0.113 CN(CCCCCO)CC(O)CO 2230a_100000722520_100011219619 [0,2,0,0,0,0|2,0,0]=4 21463 B12R0.113 CN(CCCCCO)CC(O)CO 2230a_100011216503_100000746330 [0,2,0,0,0,0|2,0,0]=4 21464 B12R0.113 CN(CCCCCO)CC(O)CO 269982a_100011216503_100000746330 [0,2,0,0,0,0|2,0,0]=4 21465 B12R0.113 CN(CCCCCO)C[C@@H](O)CF 2230a_100000722520_100015614560 [0,2,0,0,0,0|2,0,0]=4 21466 B12R0.113 CN(CCCCCO)C[C@@H](O)CO 2230a_100000722520_100009815848 [0,2,0,0,0,0|2,0,0]=4 21467 B12R0.113 COCCCCN(C)CC(O)CO 2230a_100011216503_100000730899 [0,2,0,0,0,0|2,0,0]=4 21468 B12R0.113 COCCCCN(C)CC(O)CO 269982a_100011216503_100000730899 [0,2,0,0,0,0|2,0,0]=4 21469 B12R0.113 C[C@@H](CO)CC(=O)CCCCCO 1458a_100102619762_100000059175 [0,2,0,0,0,0|1,0,1]=4 21470 B12R0.113 C[C@@H](CO)CN(C)CCCCCO 2230a_100000722520_100000059175 [0,2,0,0,0,0|2,0,0]=4 21471 B12R0.113 C[C@@H](CO)CN(C)CCCCCO 269982a_100000722520_100000059175 [0,2,0,0,0,0|2,0,0]=4 21472 B12R0.142 CC(CO)OC[C@@H](N)CCCCN 34a_100016993712_100012180447 [0,2,0,0,0,0|2,0,0]=4 21473 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [0,2,0,0,0,0|1,0,1]=4 21474 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [0,2,0,0,0,0|0,0,1]=3 21475 B12R0.142 CCC(C)CCC(=O)NCCCO 240690a_100000182051_100000701222 [0,2,0,0,0,0|1,0,1]=4 21476 B12R0.142 CCC(C)CCC(=O)NCCCO 527a_100000182051_100000701222 [0,2,0,0,0,0|1,0,1]=4 21477 B12R0.142 CCC(C)CCC(C)OCCCF 7a_200011216552_100011934791 [0,2,0,0,0,0|2,0,0]=4 21478 B12R0.142 CCC(C)CCC(C)OCCCO 7a_200011216552_100011215043 [0,2,0,0,0,0|1,0,0]=3 21479 B12R0.142 CCC(C)CNC(=O)CCCCO 1626a_100020588543_100000695505 [0,2,0,0,0,0|1,0,1]=4 21480 B12R0.142 CCC(C)OC[C@@H](N)CCCCN 34a_100016993712_100011215416 [0,2,0,0,0,0|2,0,0]=4 21481 B12R0.142 CCC(O)CCC(=O)NCCCO 240690a_100000182051_203496584001 [0,2,0,0,0,0|1,0,1]=4 21482 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,2,0,0,0,0|1,0,1]=4 21483 B12R0.142 CCCCCC(=O)CN[C@H](C)CO 2230a_100000737577_200012276598 [0,2,0,0,0,0|1,0,1]=4 21484 B12R0.142 CCCCCC(=O)CSC(C)CO 62a_100012180447_200012276598 [0,2,0,0,0,0|1,0,1]=4 21485 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_100016084084_200012276598 [0,2,0,0,0,0|1,0,1]=4 21486 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_200012276598_100016084084 [0,2,0,0,0,0|1,0,1]=4 21487 B12R0.142 CCCCCC(=O)NCC(C)CO 240690a_100000744482_100000212188 [0,2,0,0,0,0|1,0,1]=4 21488 B12R0.142 CCCCCC(=O)NCC(C)CO 527a_100000744482_100000212188 [0,2,0,0,0,0|1,0,1]=4 21489 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212188 [0,2,0,0,0,0|1,0,1]=4 21490 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000212188 [0,2,0,0,0,0|1,0,1]=4 21491 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [0,2,0,0,0,0|1,0,1]=4 21492 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [0,2,0,0,0,0|1,0,1]=4 21493 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|1,0,1]=4 21494 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|1,0,1]=4 21495 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100000211957_100000748023 [0,2,0,0,0,0|2,0,0]=4 21496 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100020588543_200011218191 [0,2,0,0,0,0|2,0,0]=4 21497 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100000211957_100000243153 [0,2,0,0,0,0|2,0,0]=4 21498 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100020588543_100000211708 [0,2,0,0,0,0|2,0,0]=4 21499 B12R0.142 CCCCCC(C)NCC(C)CO 34a_100000744482_200011218191 [0,2,0,0,0,0|1,0,0]=3 21500 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100000211957_100011218378 [0,2,0,0,0,0|2,0,0]=4 21501 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100011218483_200011218191 [0,2,0,0,0,0|2,0,0]=4 21502 B12R0.142 CCCCCC(C)NCC(O)CC 270004a_100011218483_100000211708 [0,2,0,0,0,0|2,0,0]=4 21503 B12R0.142 CCCCCC(C)NCC(O)CO 2230a_100000211957_100011219619 [0,2,0,0,0,0|1,0,0]=3 21504 B12R0.142 CCCCCC(C)NC[C@@H](C)CC 2230a_100000211957_100009816398 [0,2,0,0,0,0|2,0,0]=4 21505 B12R0.142 CCCCCC(C)NC[C@@H](C)CO 2230a_100000211957_100000059175 [0,2,0,0,0,0|1,0,0]=3 21506 B12R0.142 CCCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211708 [0,2,0,0,0,0|1,0,0]=3 21507 B12R0.142 CCCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011218191 [0,2,0,0,0,0|1,0,0]=3 21508 B12R0.142 CCCCCC(C)NC[C@@H](O)CF 2230a_100000211957_100015614560 [0,2,0,0,0,0|2,0,0]=4 21509 B12R0.142 CCCCCC(C)NC[C@@H](O)CO 2230a_100000211957_100009815848 [0,2,0,0,0,0|1,0,0]=3 21510 B12R0.142 CCCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011218191 [0,2,0,0,0,0|1,0,0]=3 21511 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [0,2,0,0,0,0|2,0,0]=4 21512 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [0,2,0,0,0,0|2,0,0]=4 21513 B12R0.142 CCCCCC(C)OCC(C)CN 34a_100000744482_200011218191 [0,2,0,0,0,0|2,0,0]=4 21514 B12R0.142 CCCCCC(C)OCC(Cl)CCl 34a_100000033668_200011218191 [0,2,0,0,0,0|2,0,0]=4 21515 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,2,0,0,0,0|2,0,0]=4 21516 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,2,0,0,0,0|2,0,0]=4 21517 B12R0.142 CCCCCC(C)OCC(O)CO 34a_100011215632_100011219619 [0,2,0,0,0,0|1,0,0]=3 21518 B12R0.142 CCCCCC(C)OCC(O)CO 7a_100011215632_100011219619 [0,2,0,0,0,0|1,0,0]=3 21519 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [0,2,0,0,0,0|2,0,0]=4 21520 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [0,2,0,0,0,0|2,0,0]=4 21521 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [0,2,0,0,0,0|2,0,0]=4 21522 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 34a_100011215632_100000059175 [0,2,0,0,0,0|1,0,0]=3 21523 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 7a_100011215632_100000059175 [0,2,0,0,0,0|1,0,0]=3 21524 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 34a_100011215632_100015614560 [0,2,0,0,0,0|2,0,0]=4 21525 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 7a_100011215632_100015614560 [0,2,0,0,0,0|2,0,0]=4 21526 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 34a_100011215632_100009815848 [0,2,0,0,0,0|1,0,0]=3 21527 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 7a_100011215632_100009815848 [0,2,0,0,0,0|1,0,0]=3 21528 B12R0.142 CCCCCC(C)OC[C@H](F)CN 34a_100015665980_200011218191 [0,2,0,0,0,0|2,0,0]=4 21529 B12R0.142 CCCCCC(C)SCC(C)CC 62a_100000748023_200011218191 [0,2,0,0,0,0|2,0,0]=4 21530 B12R0.142 CCCCCC(C)SCC(C)CC 62a_200011218191_100000748023 [0,2,0,0,0,0|2,0,0]=4 21531 B12R0.142 CCCCCC(C)SCC(O)CC 62a_100011218378_200011218191 [0,2,0,0,0,0|2,0,0]=4 21532 B12R0.142 CCCCCC(C)SCC(O)CC 62a_200011218191_100011218378 [0,2,0,0,0,0|2,0,0]=4 21533 B12R0.142 CCCCCC(C)SCC(O)CO 62a_100011219619_200011218191 [0,2,0,0,0,0|1,0,0]=3 21534 B12R0.142 CCCCCC(C)SCC(O)CO 62a_200011218191_100011219619 [0,2,0,0,0,0|1,0,0]=3 21535 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011218191 [0,2,0,0,0,0|2,0,0]=4 21536 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_200011218191_100009816398 [0,2,0,0,0,0|2,0,0]=4 21537 B12R0.142 CCCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011218191 [0,2,0,0,0,0|1,0,0]=3 21538 B12R0.142 CCCCCC(C)SC[C@@H](C)CO 62a_200011218191_100000059175 [0,2,0,0,0,0|1,0,0]=3 21539 B12R0.142 CCCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011218191 [0,2,0,0,0,0|2,0,0]=4 21540 B12R0.142 CCCCCC(C)SC[C@@H](O)CF 62a_200011218191_100015614560 [0,2,0,0,0,0|2,0,0]=4 21541 B12R0.142 CCCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011218191 [0,2,0,0,0,0|1,0,0]=3 21542 B12R0.142 CCCCCC(C)SC[C@@H](O)CO 62a_200011218191_100009815848 [0,2,0,0,0,0|1,0,0]=3 21543 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,2,0,0,0,0|2,0,0]=4 21544 B12R0.142 CCCSCC(C)NC[C@@H](F)CO 270004a_100015665980_100011343953 [0,2,0,0,0,0|2,0,0]=4 21545 B12R0.142 CCN(C)CCC(=O)CCCCO 1458a_100000755305_100000210776 [0,2,0,0,0,0|1,0,1]=4 21546 B12R0.142 CCOCCC(C)NC[C@@H](F)CO 270004a_100015665980_200011216536 [0,2,0,0,0,0|2,0,0]=4 21547 B12R0.142 CCS(=O)CCC(=O)CCCCO 1458a_100011387550_100000210776 [0,2,0,0,0,0|1,0,1]=4 21548 B12R0.142 COCCCC(C)OCC(O)CO 34a_200011539412_100011219619 [0,2,0,0,0,0|2,0,0]=4 21549 B12R0.142 COCCCC(C)OCC(O)CO 7a_200011539412_100011219619 [0,2,0,0,0,0|2,0,0]=4 21550 B12R0.142 COCCCC(C)OC[C@@H](C)CO 34a_200011539412_100000059175 [0,2,0,0,0,0|2,0,0]=4 21551 B12R0.142 COCCCC(C)OC[C@@H](C)CO 7a_200011539412_100000059175 [0,2,0,0,0,0|2,0,0]=4 21552 B12R0.142 COCCCC(C)OC[C@@H](O)CO 34a_200011539412_100009815848 [0,2,0,0,0,0|2,0,0]=4 21553 B12R0.142 COCCCC(C)OC[C@@H](O)CO 7a_200011539412_100009815848 [0,2,0,0,0,0|2,0,0]=4 21554 B12R0.142 CSCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100011399439 [0,2,0,0,0,0|2,0,0]=4 21555 B12R0.183 CCC(C)CCCOCC(C)CC 7a_100011216074_100000748023 [0,2,0,0,0,0|2,0,0]=4 21556 B12R0.183 CCC(C)CCCOCC(O)CC 7a_100011216074_100011218378 [0,2,0,0,0,0|2,0,0]=4 21557 B12R0.183 CCC(C)CCCOCC(O)CO 7a_100011216074_100011219619 [0,2,0,0,0,0|1,0,0]=3 21558 B12R0.183 CCC(C)CCCOC[C@@H](C)CC 7a_100011216074_100009816398 [0,2,0,0,0,0|2,0,0]=4 21559 B12R0.183 CCC(C)CCCOC[C@@H](C)CO 7a_100011216074_100000059175 [0,2,0,0,0,0|1,0,0]=3 21560 B12R0.183 CCC(C)CCCOC[C@@H](O)CF 7a_100011216074_100015614560 [0,2,0,0,0,0|2,0,0]=4 21561 B12R0.183 CCC(C)CCCOC[C@@H](O)CO 7a_100011216074_100009815848 [0,2,0,0,0,0|1,0,0]=3 21562 B12R0.183 CCC(C)COCCC[C@@H](C)CN 34a_100160569302_100000748023 [0,2,0,0,0,0|2,0,0]=4 21563 B12R0.183 CCC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218378 [0,2,0,0,0,0|2,0,0]=4 21564 B12R0.183 CCN(C)CCCNC[C@H](O)CO 2230a_100020644852_100015186262 [0,2,0,0,0,0|2,0,0]=4 21565 B12R0.183 CCN(C)CCCSCC(O)CO 62a_100011219619_100015186262 [0,2,0,0,0,0|2,0,0]=4 21566 B12R0.183 CCN(C)CCCSC[C@@H](C)CO 62a_100000059175_100015186262 [0,2,0,0,0,0|2,0,0]=4 21567 B12R0.183 CCN(C)CCCSC[C@@H](O)CO 62a_100009815848_100015186262 [0,2,0,0,0,0|2,0,0]=4 21568 B12R0.183 CC[C@H](C)COCCC[C@@H](C)CN 34a_100160569302_100009816398 [0,2,0,0,0,0|2,0,0]=4 21569 B12R0.183 C[C@@H](CN)CCCOCC(O)CO 34a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 21570 B12R0.183 C[C@@H](CN)CCCOC[C@@H](C)CO 34a_100160569302_100000059175 [0,2,0,0,0,0|2,0,0]=4 21571 B12R0.183 C[C@@H](CN)CCCOC[C@@H](O)CO 34a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 21572 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,2,0,0,0,0|1,0,1]=4 21573 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,2,0,0,0,0|1,0,1]=4 21574 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,2,0,0,0,0|1,0,1]=4 21575 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,2,0,0,0,0|1,0,1]=4 21576 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,2,0,0,0,0|1,0,1]=4 21577 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,2,0,0,0,0|1,0,1]=4 21578 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,2,0,0,0,0|1,0,1]=4 21579 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,2,0,0,0,0|1,0,1]=4 21580 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,2,0,0,0,0|1,0,1]=4 21581 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|1,0,1]=4 21582 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|1,0,1]=4 21583 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|1,0,1]=4 21584 B12R0.184 CC(C)CCCCCNC(C)CO 2230a_100011290863_100012180447 [0,2,0,0,0,0|1,0,0]=3 21585 B12R0.184 CC(C)CCCCCNC(C)CO 34a_100011290863_100012180447 [0,2,0,0,0,0|1,0,0]=3 21586 B12R0.184 CC(C)CCCCCN[C@H](C)CO 2230a_100000737577_100000210682 [0,2,0,0,0,0|1,0,0]=3 21587 B12R0.184 CC(C)CCCCCOC(C)CF 34a_100016041109_100000210682 [0,2,0,0,0,0|2,0,0]=4 21588 B12R0.184 CC(C)CCCCCOC(C)CF 7a_100016041109_100000210682 [0,2,0,0,0,0|2,0,0]=4 21589 B12R0.184 CC(C)CCCCCOC(C)CN 34a_100000210904_100000210682 [0,2,0,0,0,0|2,0,0]=4 21590 B12R0.184 CC(C)CCCCCOC(C)CO 34a_100011995859_100012180447 [0,2,0,0,0,0|1,0,0]=3 21591 B12R0.184 CC(C)CCCCCOC(C)CO 7a_100011995859_100012180447 [0,2,0,0,0,0|1,0,0]=3 21592 B12R0.184 CC(C)CCCCCSC(C)CO 62a_100012180447_100000210682 [0,2,0,0,0,0|1,0,0]=3 21593 B12R0.184 CC(C)CCCCCS[C@H](C)CO 62a_100000210682_100016084084 [0,2,0,0,0,0|1,0,0]=3 21594 B12R0.184 CC(C)CCCCCS[C@H](C)CO 62a_100016084084_100000210682 [0,2,0,0,0,0|1,0,0]=3 21595 B12R0.184 CC(C)CCCCNCC(C)CO 34a_100000744482_100011216152 [0,2,0,0,0,0|1,0,0]=3 21596 B12R0.184 CC(C)CCCCNC[C@@H](F)CO 34a_100015665980_100011216152 [0,2,0,0,0,0|1,0,0]=3 21597 B12R0.184 CC(C)CCCCNC[C@H](O)CO 2230a_100020644852_100011216152 [0,2,0,0,0,0|1,0,0]=3 21598 B12R0.184 CC(C)CCCCOCC(C)CN 34a_100000744482_100011216152 [0,2,0,0,0,0|2,0,0]=4 21599 B12R0.184 CC(C)CCCCOCC(Cl)CCl 34a_100000033668_100011216152 [0,2,0,0,0,0|2,0,0]=4 21600 B12R0.184 CC(C)CCCCOCC(O)CO 34a_100011214890_100011219619 [0,2,0,0,0,0|1,0,0]=3 21601 B12R0.184 CC(C)CCCCOCC(O)CO 7a_100011214890_100011219619 [0,2,0,0,0,0|1,0,0]=3 21602 B12R0.184 CC(C)CCCCOC[C@@H](C)CO 34a_100011214890_100000059175 [0,2,0,0,0,0|1,0,0]=3 21603 B12R0.184 CC(C)CCCCOC[C@@H](C)CO 7a_100011214890_100000059175 [0,2,0,0,0,0|1,0,0]=3 21604 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 34a_100011214890_100015614560 [0,2,0,0,0,0|2,0,0]=4 21605 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 7a_100011214890_100015614560 [0,2,0,0,0,0|2,0,0]=4 21606 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 34a_100011214890_100009815848 [0,2,0,0,0,0|1,0,0]=3 21607 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 7a_100011214890_100009815848 [0,2,0,0,0,0|1,0,0]=3 21608 B12R0.184 CC(C)CCCCOC[C@H](F)CN 34a_100015665980_100011216152 [0,2,0,0,0,0|2,0,0]=4 21609 B12R0.184 CC(C)CCCCSCC(O)CO 62a_100011216152_100011219619 [0,2,0,0,0,0|1,0,0]=3 21610 B12R0.184 CC(C)CCCCSCC(O)CO 62a_100011219619_100011216152 [0,2,0,0,0,0|1,0,0]=3 21611 B12R0.184 CC(C)CCCCSC[C@@H](C)CO 62a_100000059175_100011216152 [0,2,0,0,0,0|1,0,0]=3 21612 B12R0.184 CC(C)CCCCSC[C@@H](C)CO 62a_100011216152_100000059175 [0,2,0,0,0,0|1,0,0]=3 21613 B12R0.184 CC(C)CCCCSC[C@@H](O)CF 62a_100011216152_100015614560 [0,2,0,0,0,0|2,0,0]=4 21614 B12R0.184 CC(C)CCCCSC[C@@H](O)CF 62a_100015614560_100011216152 [0,2,0,0,0,0|2,0,0]=4 21615 B12R0.184 CC(C)CCCCSC[C@@H](O)CO 62a_100009815848_100011216152 [0,2,0,0,0,0|1,0,0]=3 21616 B12R0.184 CC(C)CCCCSC[C@@H](O)CO 62a_100011216152_100009815848 [0,2,0,0,0,0|1,0,0]=3 21617 B12R0.184 CC(C)CCCNCCC(C)CO 2230a_106354213184_100011214892 [0,2,0,0,0,0|1,0,0]=3 21618 B12R0.184 CC(C)CCCNCCC(C)CO 34a_106354213184_100011214892 [0,2,0,0,0,0|1,0,0]=3 21619 B12R0.184 CC(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000210312 [0,2,0,0,0,0|2,0,0]=4 21620 B12R0.184 CC(C)CNCCOCC(O)CO 34a_100015185251_100011219619 [0,2,0,0,0,0|2,0,0]=4 21621 B12R0.184 CC(C)CNCCOC[C@@H](C)CO 34a_100015185251_100000059175 [0,2,0,0,0,0|2,0,0]=4 21622 B12R0.184 CC(C)CNCCOC[C@@H](O)CO 34a_100015185251_100009815848 [0,2,0,0,0,0|2,0,0]=4 21623 B12R0.184 CC(C)COCCCNC(C)CO 2230a_100000205972_100012180447 [0,2,0,0,0,0|2,0,0]=4 21624 B12R0.184 CC(C)COCCCNC(C)CO 34a_100000205972_100012180447 [0,2,0,0,0,0|2,0,0]=4 21625 B12R0.184 CC(C)COCCOCC(O)CO 34a_100000703358_100011219619 [0,2,0,0,0,0|2,0,0]=4 21626 B12R0.184 CC(C)COCCOCC(O)CO 7a_100000703358_100011219619 [0,2,0,0,0,0|2,0,0]=4 21627 B12R0.184 CC(C)COCCOC[C@@H](C)CO 34a_100000703358_100000059175 [0,2,0,0,0,0|2,0,0]=4 21628 B12R0.184 CC(C)COCCOC[C@@H](C)CO 7a_100000703358_100000059175 [0,2,0,0,0,0|2,0,0]=4 21629 B12R0.184 CC(C)COCCOC[C@@H](O)CO 34a_100000703358_100009815848 [0,2,0,0,0,0|2,0,0]=4 21630 B12R0.184 CC(C)COCCOC[C@@H](O)CO 7a_100000703358_100009815848 [0,2,0,0,0,0|2,0,0]=4 21631 B12R0.184 CC(C)CSCCOCC(O)CO 34a_200000230437_100011219619 [0,2,0,0,0,0|2,0,0]=4 21632 B12R0.184 CC(C)CSCCOCC(O)CO 7a_200000230437_100011219619 [0,2,0,0,0,0|2,0,0]=4 21633 B12R0.184 CC(C)CSCCOC[C@@H](C)CO 34a_200000230437_100000059175 [0,2,0,0,0,0|2,0,0]=4 21634 B12R0.184 CC(C)CSCCOC[C@@H](C)CO 7a_200000230437_100000059175 [0,2,0,0,0,0|2,0,0]=4 21635 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 34a_200000230437_100009815848 [0,2,0,0,0,0|2,0,0]=4 21636 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 7a_200000230437_100009815848 [0,2,0,0,0,0|2,0,0]=4 21637 B12R0.184 CC(C)NCCCCOC(C)CO 34a_100011521146_100012180447 [0,2,0,0,0,0|2,0,0]=4 21638 B12R0.184 CC(C)NCCCOCC(O)CO 34a_100000182298_100011219619 [0,2,0,0,0,0|2,0,0]=4 21639 B12R0.184 CC(C)NCCCOC[C@@H](C)CO 34a_100000182298_100000059175 [0,2,0,0,0,0|2,0,0]=4 21640 B12R0.184 CC(C)NCCCOC[C@@H](O)CO 34a_100000182298_100009815848 [0,2,0,0,0,0|2,0,0]=4 21641 B12R0.184 CC(C)OCCCNCC(O)CO 2230a_100000737246_100011219619 [0,2,0,0,0,0|2,0,0]=4 21642 B12R0.184 CC(C)OCCCNCC(O)CO 34a_100000737246_100011219619 [0,2,0,0,0,0|2,0,0]=4 21643 B12R0.184 CC(C)OCCCNC[C@@H](C)CO 2230a_100000737246_100000059175 [0,2,0,0,0,0|2,0,0]=4 21644 B12R0.184 CC(C)OCCCNC[C@@H](C)CO 34a_100000737246_100000059175 [0,2,0,0,0,0|2,0,0]=4 21645 B12R0.184 CC(C)OCCCNC[C@@H](O)CO 2230a_100000737246_100009815848 [0,2,0,0,0,0|2,0,0]=4 21646 B12R0.184 CC(C)OCCCNC[C@@H](O)CO 34a_100000737246_100009815848 [0,2,0,0,0,0|2,0,0]=4 21647 B12R0.184 CC(CO)CCNCCOC(C)C 2230a_106354213184_100000211751 [0,2,0,0,0,0|2,0,0]=4 21648 B12R0.184 CC(CO)CCNCCOC(C)C 34a_106354213184_100000211751 [0,2,0,0,0,0|2,0,0]=4 21649 B12R0.184 CC(CO)CCNCCSC(C)C 2230a_106354213184_100000730970 [0,2,0,0,0,0|2,0,0]=4 21650 B12R0.184 CC(CO)CCNCCSC(C)C 34a_106354213184_100000730970 [0,2,0,0,0,0|2,0,0]=4 21651 B12R0.184 CC(O)CCCNCCC(C)CO 2230a_106354213184_200000718107 [0,2,0,0,0,0|1,0,0]=3 21652 B12R0.184 CC(O)CCCNCCC(C)CO 34a_106354213184_200000718107 [0,2,0,0,0,0|1,0,0]=3 21653 B12R0.184 CC(O)CCOCCC[C@@H](C)CN 34a_100160569302_100012276601 [0,2,0,0,0,0|2,0,0]=4 21654 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [0,2,0,0,0,0|1,0,1]=4 21655 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|1,0,1]=4 21656 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,2,0,0,0,0|2,0,0]=4 21657 B12R0.184 CCC(C)CCCOCCC(C)C 7a_100011216074_100000210626 [0,2,0,0,0,0|2,0,0]=4 21658 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,2,0,0,0,0|1,0,0]=3 21659 B12R0.184 CCC(C)CCNCCCC(C)C 2230a_100020591266_100011214892 [0,2,0,0,0,0|2,0,0]=4 21660 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,2,0,0,0,0|1,0,0]=3 21661 B12R0.184 CCC(C)CCOCCCC(C)C 7a_100011215188_100011214892 [0,2,0,0,0,0|2,0,0]=4 21662 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,2,0,0,0,0|1,0,0]=3 21663 B12R0.184 CCC(C)CNCCCCB(O)O 2230a_100020588543_200009817182 [0,2,0,0,0,0|2,0,0]=4 21664 B12R0.184 CCC(C)CNCCCCC(C)C 2230a_100020588543_100011216152 [0,2,0,0,0,0|2,0,0]=4 21665 B12R0.184 CCC(C)COCCCCC(C)C 34a_100011214890_100000748023 [0,2,0,0,0,0|2,0,0]=4 21666 B12R0.184 CCC(C)COCCCCC(C)C 7a_100011214890_100000748023 [0,2,0,0,0,0|2,0,0]=4 21667 B12R0.184 CCC(C)CSCCCCB(O)O 62a_100000748023_200009817182 [0,2,0,0,0,0|2,0,0]=4 21668 B12R0.184 CCC(C)CSCCCCB(O)O 62a_200009817182_100000748023 [0,2,0,0,0,0|2,0,0]=4 21669 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100000748023_100011216152 [0,2,0,0,0,0|2,0,0]=4 21670 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100011216152_100000748023 [0,2,0,0,0,0|2,0,0]=4 21671 B12R0.184 CCC(C)NCCCCCB(O)O 2230a_100000209981_200009817188 [0,2,0,0,0,0|2,0,0]=4 21672 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100000209981_100000210682 [0,2,0,0,0,0|2,0,0]=4 21673 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100011290863_100000758301 [0,2,0,0,0,0|2,0,0]=4 21674 B12R0.184 CCC(C)NCCCCCC(C)C 34a_100011290863_100011215416 [0,2,0,0,0,0|2,0,0]=4 21675 B12R0.184 CCC(C)OCCCCCB(O)O 7a_100000210228_200009817188 [0,2,0,0,0,0|2,0,0]=4 21676 B12R0.184 CCC(C)OCCCCCC(C)C 34a_100011995859_100011215416 [0,2,0,0,0,0|2,0,0]=4 21677 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100000210228_100000210682 [0,2,0,0,0,0|2,0,0]=4 21678 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100011995859_100000758301 [0,2,0,0,0,0|2,0,0]=4 21679 B12R0.184 CCC(C)SCCCCCB(O)O 62a_100000758301_200009817188 [0,2,0,0,0,0|2,0,0]=4 21680 B12R0.184 CCC(C)SCCCCCB(O)O 62a_200009817188_100000758301 [0,2,0,0,0,0|2,0,0]=4 21681 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000210682_100000758301 [0,2,0,0,0,0|2,0,0]=4 21682 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000758301_100000210682 [0,2,0,0,0,0|2,0,0]=4 21683 B12R0.184 CCC(O)CNCCCCB(O)O 2230a_100011218483_200009817182 [0,2,0,0,0,0|2,0,0]=4 21684 B12R0.184 CCC(O)CNCCCCC(C)C 2230a_100011218483_100011216152 [0,2,0,0,0,0|2,0,0]=4 21685 B12R0.184 CCC(O)COCCCCC(C)C 34a_100011214890_100011218378 [0,2,0,0,0,0|2,0,0]=4 21686 B12R0.184 CCC(O)COCCCCC(C)C 7a_100011214890_100011218378 [0,2,0,0,0,0|2,0,0]=4 21687 B12R0.184 CCC(O)CSCCCCB(O)O 62a_100011218378_200009817182 [0,2,0,0,0,0|2,0,0]=4 21688 B12R0.184 CCC(O)CSCCCCB(O)O 62a_200009817182_100011218378 [0,2,0,0,0,0|2,0,0]=4 21689 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011216152_100011218378 [0,2,0,0,0,0|2,0,0]=4 21690 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011218378_100011216152 [0,2,0,0,0,0|2,0,0]=4 21691 B12R0.184 CCN(C)CCCCCCB(O)O 2230a_100000225621_100009817187 [0,2,0,0,0,0|2,0,0]=4 21692 B12R0.184 CCN(C)CCCCCCB(O)O 269982a_100000225621_100009817187 [0,2,0,0,0,0|2,0,0]=4 21693 B12R0.184 CCN(C)CCCNCCC(C)O 2230a_200000755665_100015186262 [0,2,0,0,0,0|2,0,0]=4 21694 B12R0.184 CCN(C)CCCSCCC(C)O 62a_100012276601_100015186262 [0,2,0,0,0,0|2,0,0]=4 21695 B12R0.184 CC[C@H](C)COCCCCB(O)O 7a_100009816381_200009817182 [0,2,0,0,0,0|2,0,0]=4 21696 B12R0.184 CC[C@H](C)COCCCCC(C)C 34a_100011214890_100009816398 [0,2,0,0,0,0|2,0,0]=4 21697 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100009816381_100011216152 [0,2,0,0,0,0|2,0,0]=4 21698 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100011214890_100009816398 [0,2,0,0,0,0|2,0,0]=4 21699 B12R0.184 CC[C@H](C)CSCCCCB(O)O 62a_100009816398_200009817182 [0,2,0,0,0,0|2,0,0]=4 21700 B12R0.184 CC[C@H](C)CSCCCCB(O)O 62a_200009817182_100009816398 [0,2,0,0,0,0|2,0,0]=4 21701 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100009816398_100011216152 [0,2,0,0,0,0|2,0,0]=4 21702 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100011216152_100009816398 [0,2,0,0,0,0|2,0,0]=4 21703 B12R0.184 CN(C)CCCCSCC(O)CO 62a_100011219619_100000690147 [0,2,0,0,0,0|2,0,0]=4 21704 B12R0.184 CN(C)CCCCSC[C@@H](O)CO 62a_100009815848_100000690147 [0,2,0,0,0,0|2,0,0]=4 21705 B12R0.184 COC(C)CCOCCCC(C)O 7a_100000764861_200000718107 [0,2,0,0,0,0|2,0,0]=4 21706 B12R0.184 C[C@@H](CO)CSCCCCN(C)C 62a_100000059175_100000690147 [0,2,0,0,0,0|2,0,0]=4 21707 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|0,0,2]=4 21708 B12R0.251 C=C(C)C(C)NCCCCCCO 269862a_100000686447_100011216138 [0,2,0,0,0,0|1,0,1]=4 21709 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,2,0,0,0,0|1,0,1]=4 21710 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,2,0,0,0,0|1,0,1]=4 21711 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,2,0,0,0,0|1,0,1]=4 21712 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,2,0,0,0,0|1,0,1]=4 21713 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,2,0,0,0,0|1,0,1]=4 21714 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,2,0,0,0,0|1,0,1]=4 21715 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|0,0,1]=3 21716 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|0,0,1]=3 21717 B12R0.251 CC(C)C(=O)CNCCCCCO 2230a_100000762737_100000753385 [0,2,0,0,0,0|1,0,1]=4 21718 B12R0.251 CC(C)C(=O)CNCCCCCO 34a_100000762737_100000753385 [0,2,0,0,0,0|1,0,1]=4 21719 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000746330_100000753385 [0,2,0,0,0,0|1,0,1]=4 21720 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000753385_100000746330 [0,2,0,0,0,0|1,0,1]=4 21721 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [0,2,0,0,0,0|1,0,1]=4 21722 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [0,2,0,0,0,0|1,0,1]=4 21723 B12R0.251 CC(C)C(C)NCCCCCCF 2230a_100000211541_100015922095 [0,2,0,0,0,0|2,0,0]=4 21724 B12R0.251 CC(C)C(C)NCCCCCCO 2230a_100000211541_100000766143 [0,2,0,0,0,0|1,0,0]=3 21725 B12R0.251 CC(C)C(C)OCCCCCCF 7a_100000748068_100015922095 [0,2,0,0,0,0|2,0,0]=4 21726 B12R0.251 CC(C)C(C)OCCCCCCO 7a_100000748068_100000766143 [0,2,0,0,0,0|1,0,0]=3 21727 B12R0.251 CC(C)C(N)CCOCCCCF 34a_100161115045_100000729493 [0,2,0,0,0,0|2,0,0]=4 21728 B12R0.251 CC(C)C(N)CCOCCCCO 34a_100161115045_100011216708 [0,2,0,0,0,0|1,0,0]=3 21729 B12R0.251 CC(C)C(O)CNCCCCCF 2230a_100000759067_100000729378 [0,2,0,0,0,0|2,0,0]=4 21730 B12R0.251 CC(C)C(O)CNCCCCCF 34a_100000759067_100000729378 [0,2,0,0,0,0|2,0,0]=4 21731 B12R0.251 CC(C)C(O)CNCCCCCO 2230a_100000759067_100000746330 [0,2,0,0,0,0|1,0,0]=3 21732 B12R0.251 CC(C)C(O)CNCCCCCO 34a_100000759067_100000746330 [0,2,0,0,0,0|1,0,0]=3 21733 B12R0.251 CC(C)C(O)CNCCOCCO 2230a_100000759067_100011215305 [0,2,0,0,0,0|2,0,0]=4 21734 B12R0.251 CC(C)C(O)CNCCOCCO 34a_100000759067_100000692535 [0,2,0,0,0,0|2,0,0]=4 21735 B12R0.251 CC(C)N(C)CCCCCCCO 269982a_200000211004_100000760002 [0,2,0,0,0,0|1,0,0]=3 21736 B12R0.251 CC(C)[C@@H](N)COCCCCCF 34a_100011830312_100000729378 [0,2,0,0,0,0|2,0,0]=4 21737 B12R0.251 CC(C)[C@@H](N)COCCCCCO 34a_100011830312_100000746330 [0,2,0,0,0,0|1,0,0]=3 21738 B12R0.251 CC(C)[C@@H](N)COCCOCCO 34a_100011830312_100000692535 [0,2,0,0,0,0|2,0,0]=4 21739 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|0,0,1]=3 21740 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [0,2,0,0,0,0|1,0,1]=4 21741 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [0,2,0,0,0,0|1,0,1]=4 21742 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|1,0,1]=4 21743 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|1,0,1]=4 21744 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|1,0,1]=4 21745 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|0,0,1]=3 21746 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|0,0,1]=3 21747 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|0,0,1]=3 21748 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,2,0,0,0,0|2,0,0]=4 21749 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|0,0,2]=4 21750 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|0,0,2]=4 21751 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,2,0,0,0,0|2,0,0]=4 21752 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,2,0,0,0,0|2,0,0]=4 21753 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,2,0,0,0,0|2,0,0]=4 21754 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|1,0,1]=4 21755 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|1,0,1]=4 21756 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|1,0,1]=4 21757 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|1,0,1]=4 21758 B12R0.251 CCCCCCCNC(C)C(C)C 2230a_100000211541_100000210681 [0,2,0,0,0,0|2,0,0]=4 21759 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,2,0,0,0,0|1,0,1]=4 21760 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,2,0,0,0,0|2,0,0]=4 21761 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,2,0,0,0,0|1,0,1]=4 21762 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,2,0,0,0,0|1,0,1]=4 21763 B12R0.251 CCCCCCNCC(O)C(C)C 2230a_100000759067_100000210314 [0,2,0,0,0,0|2,0,0]=4 21764 B12R0.251 CCCCCCNCC(O)C(C)C 34a_100000759067_100000210314 [0,2,0,0,0,0|2,0,0]=4 21765 B12R0.251 CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210314 [0,2,0,0,0,0|2,0,0]=4 21766 B12R0.251 CCCCCOCCC(N)C(C)C 34a_100161115045_100000718602 [0,2,0,0,0,0|2,0,0]=4 21767 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,2,0,0,0,0|1,0,1]=4 21768 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,2,0,0,0,0|1,0,1]=4 21769 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|1,0,1]=4 21770 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|1,0,1]=4 21771 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|0,0,1]=3 21772 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,2,0,0,0,0|1,0,1]=4 21773 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|0,0,1]=3 21774 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,2,0,0,0,0|1,0,1]=4 21775 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,2,0,0,0,0|1,0,1]=4 21776 B12R0.312 CC(C)(CCl)COCCCCCO 7a_100011217199_100000746330 [0,2,0,0,0,0|2,0,0]=4 21777 B12R0.312 CC(C)(CCl)OCCCCCCO 7a_100000764493_100000766143 [0,2,0,0,0,0|2,0,0]=4 21778 B12R0.312 CC(C)(CO)CCCNCCCF 2230a_100000039164_100011934791 [0,2,0,0,0,0|2,0,0]=4 21779 B12R0.312 CC(C)(CO)CCCNCCCO 2230a_100000039164_100000230001 [0,2,0,0,0,0|2,0,0]=4 21780 B12R0.312 CC(C)(CO)CNCCCCCF 2230a_100020635058_100000729378 [0,2,0,0,0,0|2,0,0]=4 21781 B12R0.312 CC(C)(CO)CNCCCCCO 2230a_100020635058_100000746330 [0,2,0,0,0,0|2,0,0]=4 21782 B12R0.312 CC(C)(CO)CNCCCCCO 34a_100000762737_100009813988 [0,2,0,0,0,0|2,0,0]=4 21783 B12R0.312 CC(C)(CO)COCCCCCBr 34a_100000746331_100009813988 [0,2,0,0,0,0|2,0,0]=4 21784 B12R0.312 CC(C)(CO)COCCCCCBr 7a_100000746331_100009813988 [0,2,0,0,0,0|2,0,0]=4 21785 B12R0.312 CC(C)(CO)COCCCCCCl 34a_100000746330_100009813988 [0,2,0,0,0,0|2,0,0]=4 21786 B12R0.312 CC(C)(CO)COCCCCCCl 7a_100000746330_100009813988 [0,2,0,0,0,0|2,0,0]=4 21787 B12R0.312 CC(C)(CO)COCCCCCI 34a_200012148887_100009813988 [0,2,0,0,0,0|2,0,0]=4 21788 B12R0.312 CC(C)(CO)COCCCCCI 7a_200012148887_100009813988 [0,2,0,0,0,0|2,0,0]=4 21789 B12R0.312 CC(C)(CO)COCCCCCN 34a_100000762737_100009813988 [0,2,0,0,0,0|2,0,0]=4 21790 B12R0.312 CC(C)(CO)CSCCCCCF 62a_100000729378_100009813988 [0,2,0,0,0,0|2,0,0]=4 21791 B12R0.312 CC(C)(CO)CSCCCCCF 62a_100009813988_100000729378 [0,2,0,0,0,0|2,0,0]=4 21792 B12R0.312 CC(C)(CO)CSCCCCCO 62a_100000746330_100009813988 [0,2,0,0,0,0|2,0,0]=4 21793 B12R0.312 CC(C)(CO)CSCCCCCO 62a_100009813988_100000746330 [0,2,0,0,0,0|2,0,0]=4 21794 B12R0.312 CC(C)(CO)NCCCCCCF 2230a_100000210608_100015922095 [0,2,0,0,0,0|2,0,0]=4 21795 B12R0.312 CC(C)(CO)NCCCCCCO 2230a_100000210608_100000766143 [0,2,0,0,0,0|2,0,0]=4 21796 B12R0.312 CCC(C)(C)COCCCCCF 7a_100000765029_100000729378 [0,2,0,0,0,0|2,0,0]=4 21797 B12R0.312 CCC(C)(C)COCCCCCO 7a_100000765029_100000746330 [0,2,0,0,0,0|1,0,0]=3 21798 B12R0.312 CCC(C)(C)COCCOCCO 7a_100000765029_100011215305 [0,2,0,0,0,0|2,0,0]=4 21799 B12R0.312 CCC(C)(C)NCCCCCCF 2230a_100000211385_100015922095 [0,2,0,0,0,0|2,0,0]=4 21800 B12R0.312 CCC(C)(C)NCCCCCCO 2230a_100000211385_100000766143 [0,2,0,0,0,0|1,0,0]=3 21801 B12R0.312 CCC(C)(C)OCCCCCCBr 7a_100011215345_100000210677 [0,2,0,0,0,0|2,0,0]=4 21802 B12R0.312 CCC(C)(C)OCCCCCCCl 7a_100000766143_100000210677 [0,2,0,0,0,0|2,0,0]=4 21803 B12R0.312 CCC(C)(C)OCCCCCCF 7a_100000210230_100015922095 [0,2,0,0,0,0|2,0,0]=4 21804 B12R0.312 CCC(C)(C)OCCCCCCF 7a_100000732779_100000210677 [0,2,0,0,0,0|2,0,0]=4 21805 B12R0.312 CCC(C)(C)OCCCCCCO 7a_100000210230_100000766143 [0,2,0,0,0,0|1,0,0]=3 21806 B12R0.312 CCC(C)(C)SCCCCCCF 62a_100000032637_100015922095 [0,2,0,0,0,0|2,0,0]=4 21807 B12R0.312 CCC(C)(C)SCCCCCCF 62a_100015922095_100000032637 [0,2,0,0,0,0|2,0,0]=4 21808 B12R0.312 CCC(C)(C)SCCCCCCO 62a_100000032637_100000766143 [0,2,0,0,0,0|1,0,0]=3 21809 B12R0.312 CCC(C)(C)SCCCCCCO 62a_100000766143_100000032637 [0,2,0,0,0,0|1,0,0]=3 21810 B12R0.312 CCCCCCCNC(C)(C)CC 2230a_100000211385_100000210681 [0,2,0,0,0,0|2,0,0]=4 21811 B12R0.312 CCCCCCCNC(C)(C)CO 2230a_100000210608_100000210681 [0,2,0,0,0,0|1,0,0]=3 21812 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210230_100000210614 [0,2,0,0,0,0|2,0,0]=4 21813 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210272_100000210677 [0,2,0,0,0,0|2,0,0]=4 21814 B12R0.312 CCCCCCCOC(C)(C)CCl 7a_100000764493_100000210614 [0,2,0,0,0,0|2,0,0]=4 21815 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000032637_100000210316 [0,2,0,0,0,0|2,0,0]=4 21816 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000210614_100000032637 [0,2,0,0,0,0|2,0,0]=4 21817 B12R0.312 CCCCCCCSC(F)(F)CO 62a_100000210614_100011217949 [0,2,0,0,0,0|1,0,0]=3 21818 B12R0.312 CCCCCCCSC(F)(F)CO 62a_100011217949_100000210316 [0,2,0,0,0,0|1,0,0]=3 21819 B12R0.312 CCCCCCNCC(C)(C)CO 2230a_100020635058_100000210314 [0,2,0,0,0,0|1,0,0]=3 21820 B12R0.312 CCCCCCOCC(C)(C)CC 7a_100000765029_100000210314 [0,2,0,0,0,0|2,0,0]=4 21821 B12R0.312 CCCCCCOCC(C)(C)CCl 7a_100011217199_100000210314 [0,2,0,0,0,0|2,0,0]=4 21822 B12R0.312 CCCCCCOCC(C)(C)CO 34a_100000210259_100009813988 [0,2,0,0,0,0|1,0,0]=3 21823 B12R0.312 CCCCCCOCC(C)(C)CO 7a_100000210259_100009813988 [0,2,0,0,0,0|1,0,0]=3 21824 B12R0.312 CCCCCCOCC(F)(F)CN 34a_100000703232_100000210314 [0,2,0,0,0,0|2,0,0]=4 21825 B12R0.312 CCCCCCSCC(C)(C)CO 62a_100000210314_100009813988 [0,2,0,0,0,0|1,0,0]=3 21826 B12R0.312 CCCCCCSCC(C)(C)CO 62a_100009813988_100000210757 [0,2,0,0,0,0|1,0,0]=3 21827 B12R0.312 CCCCNCCCC(C)(C)CO 2230a_100000039164_100000210211 [0,2,0,0,0,0|1,0,0]=3 21828 B12R0.312 CCCCOCCNC(C)(C)CO 2230a_100000210608_100000743108 [0,2,0,0,0,0|2,0,0]=4 21829 B12R0.312 CCCCOCCSC(F)(F)CO 62a_100000743108_100011217949 [0,2,0,0,0,0|2,0,0]=4 21830 B12R0.312 CCCCOCCSC(F)(F)CO 62a_100011217949_100000743108 [0,2,0,0,0,0|2,0,0]=4 21831 B12R0.312 CCCCOCNCC(C)(C)CO 2230a_100020635058_100011995733 [0,2,0,0,0,0|2,0,0]=4 21832 B12R0.312 CCCCOCSCC(C)(C)CO 62a_100009813988_100011995733 [0,2,0,0,0,0|2,0,0]=4 21833 B12R0.312 CCCCOCSCC(C)(C)CO 62a_100011995733_100009813988 [0,2,0,0,0,0|2,0,0]=4 21834 B12R0.312 CCCOCCNCC(C)(C)CO 2230a_100020635058_100011215938 [0,2,0,0,0,0|2,0,0]=4 21835 B12R0.312 CCCOCCNCC(C)(C)CO 34a_100161115042_100009813988 [0,2,0,0,0,0|2,0,0]=4 21836 B12R0.312 CCCOCCOCC(C)(C)CO 34a_100000752267_100009813988 [0,2,0,0,0,0|2,0,0]=4 21837 B12R0.312 CCCOCCOCC(C)(C)CO 7a_100000752267_100009813988 [0,2,0,0,0,0|2,0,0]=4 21838 B12R0.312 CCCOCCSCC(C)(C)CO 62a_100009813988_100011215938 [0,2,0,0,0,0|2,0,0]=4 21839 B12R0.312 CCCOCCSCC(C)(C)CO 62a_100011215938_100009813988 [0,2,0,0,0,0|2,0,0]=4 21840 B12R0.312 CCCSCCOCC(C)(C)CO 34a_200000230433_100009813988 [0,2,0,0,0,0|2,0,0]=4 21841 B12R0.312 CCCSCCOCC(C)(C)CO 7a_200000230433_100009813988 [0,2,0,0,0,0|2,0,0]=4 21842 B12R0.312 CCOCCCNCC(C)(C)CO 2230a_100020635058_100012232248 [0,2,0,0,0,0|2,0,0]=4 21843 B12R0.312 CCOCCCNCC(C)(C)CO 34a_100000210961_100009813988 [0,2,0,0,0,0|2,0,0]=4 21844 B12R0.312 CCOCCCOCC(C)(C)CO 34a_100000757476_100009813988 [0,2,0,0,0,0|2,0,0]=4 21845 B12R0.312 CCOCCCOCC(C)(C)CO 7a_100000757476_100009813988 [0,2,0,0,0,0|2,0,0]=4 21846 B12R0.312 CCOCCCSCC(C)(C)CO 62a_100009813988_100012232248 [0,2,0,0,0,0|2,0,0]=4 21847 B12R0.312 CCOCCCSCC(C)(C)CO 62a_100012232248_100009813988 [0,2,0,0,0,0|2,0,0]=4 21848 B12R0.312 CCS(=O)(=O)CCNCCCCO 2230a_100000750430_100000756660 [0,2,0,0,0,0|2,0,0]=4 21849 B12R0.312 CCS(=O)(=O)CCNCCCCO 2230a_100000751051_100000210776 [0,2,0,0,0,0|2,0,0]=4 21850 B12R0.312 CCS(=O)(=O)CCNCCCCO 34a_100000750430_100000756660 [0,2,0,0,0,0|2,0,0]=4 21851 B12R0.312 CCS(=O)(=O)CCNCCCCO 34a_100000751051_100011216708 [0,2,0,0,0,0|2,0,0]=4 21852 B12R0.312 CCS(=O)(=O)CCOCCCCO 34a_200011216379_100011216708 [0,2,0,0,0,0|2,0,0]=4 21853 B12R0.312 CCS(=O)(=O)CCOCCCCO 7a_200011216379_100000210776 [0,2,0,0,0,0|2,0,0]=4 21854 B12R0.312 CCS(=O)(=O)CCSCCCCO 62a_100000210776_100000756660 [0,2,0,0,0,0|2,0,0]=4 21855 B12R0.312 CCS(=O)(=O)CCSCCCCO 62a_100000756660_100000210776 [0,2,0,0,0,0|2,0,0]=4 21856 B12R0.312 CCS(=O)(=O)NCCCCCCO 270084a_100000686447_100000211323 [0,2,0,0,0,0|2,0,0]=4 21857 B12R0.312 CCS(=O)(=O)NCCCCCCO 274078a_100000686447_100000211323 [0,2,0,0,0,0|2,0,0]=4 21858 B12R0.312 CCS(=O)(=O)NCCCCCCO 40a_100000686447_100000053943 [0,2,0,0,0,0|2,0,0]=4 21859 B12R0.312 CCSCCCOCC(C)(C)CO 34a_100011216438_100009813988 [0,2,0,0,0,0|2,0,0]=4 21860 B12R0.312 CCSCCCOCC(C)(C)CO 7a_100011216438_100009813988 [0,2,0,0,0,0|2,0,0]=4 21861 B12R0.312 COC(C)(C)CCOCCCCO 7a_100000699976_100000210776 [0,2,0,0,0,0|2,0,0]=4 21862 B12R0.312 COC(C)(C)CNCCCCCO 2230a_100000763424_100000746330 [0,2,0,0,0,0|2,0,0]=4 21863 B12R0.312 COC(C)(C)CNCCCCCO 34a_100000762737_100000701081 [0,2,0,0,0,0|2,0,0]=4 21864 B12R0.312 COC(C)(C)CSCCCCCO 62a_100000701081_100000746330 [0,2,0,0,0,0|2,0,0]=4 21865 B12R0.312 COC(C)(C)CSCCCCCO 62a_100000746330_100000701081 [0,2,0,0,0,0|2,0,0]=4 21866 B12R0.312 COCCCCNCC(C)(C)CO 2230a_100020635058_100000730899 [0,2,0,0,0,0|2,0,0]=4 21867 B12R0.312 COCCCCOCC(C)(C)CO 34a_100000740925_100009813988 [0,2,0,0,0,0|2,0,0]=4 21868 B12R0.312 COCCCCSCC(C)(C)CO 62a_100000730899_100009813988 [0,2,0,0,0,0|2,0,0]=4 21869 B12R0.312 COCCCCSCC(C)(C)CO 62a_100009813988_100000730899 [0,2,0,0,0,0|2,0,0]=4 21870 B12R0.312 COCCNCCCC(C)(C)CO 2230a_100000039164_100011201679 [0,2,0,0,0,0|2,0,0]=4 21871 B12R0.312 CSC(C)(C)CNCCCCCO 270004a_100000762737_100009845794 [0,2,0,0,0,0|2,0,0]=4 21872 B12R0.312 CSCCCCOCC(C)(C)CO 34a_100011217163_100009813988 [0,2,0,0,0,0|2,0,0]=4 21873 B12R0.312 CSCCCCOCC(C)(C)CO 7a_100011217163_100009813988 [0,2,0,0,0,0|2,0,0]=4 21874 B12R0.312 CSCCNCCCC(C)(C)CO 2230a_100000039164_100000751147 [0,2,0,0,0,0|2,0,0]=4 21875 B12R0.312 NCC(F)(F)COCCCCCO 34a_100000703232_100000746330 [0,2,0,0,0,0|2,0,0]=4 21876 B12R0.312 OCC(F)(F)SCCCCCCF 62a_100011217949_100015922095 [0,2,0,0,0,0|2,0,0]=4 21877 B12R0.312 OCC(F)(F)SCCCCCCF 62a_100015922095_100011217949 [0,2,0,0,0,0|2,0,0]=4 21878 B12R0.312 OCCCCCCSC(F)(F)CO 62a_100000766143_100011217949 [0,2,0,0,0,0|2,0,0]=4 21879 B12R0.312 OCCCCCCSC(F)(F)CO 62a_100011217949_100000766143 [0,2,0,0,0,0|2,0,0]=4 21880 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000730704 [0,2,0,0,0,0|1,0,1]=4 21881 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 34a_100160569302_100000730704 [0,2,0,0,0,0|1,0,1]=4 21882 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,2,0,0,0,0|1,0,1]=4 21883 B12R0.95 CC(C)CCCCC(=O)CCCF 1458a_100011933920_100011934791 [0,2,0,0,0,0|1,0,1]=4 21884 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,2,0,0,0,0|0,0,1]=3 21885 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,2,0,0,0,0|1,0,1]=4 21886 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,2,0,0,0,0|1,0,1]=4 21887 B12R0.95 CC(C)CCCCN(C)CCCO 2230a_100000213112_100011216152 [0,2,0,0,0,0|1,0,0]=3 21888 B12R0.95 CC(C)CCCCN(C)CCCO 269982a_100000213112_100011216152 [0,2,0,0,0,0|1,0,0]=3 21889 B12R0.95 CC(C)CCCOC(C)CCCCl 34a_200000718107_100011214892 [0,2,0,0,0,0|2,0,0]=4 21890 B12R0.95 CC(C)CCCOC(C)CCCCl 7a_200000718107_100011214892 [0,2,0,0,0,0|2,0,0]=4 21891 B12R0.95 CC(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000210312 [0,2,0,0,0,0|1,0,0]=3 21892 B12R0.95 CC(C)CCNC[C@H](C)CCCO 269862a_100160569302_100000185833 [0,2,0,0,0,0|1,0,0]=3 21893 B12R0.95 CC(C)CCNC[C@H](C)CCCO 34a_100160569302_100000210312 [0,2,0,0,0,0|1,0,0]=3 21894 B12R0.95 CC(C)COCCC(C)NCCO 270004a_100000210304_200011216429 [0,2,0,0,0,0|2,0,0]=4 21895 B12R0.95 CC(C)OCNC[C@H](C)CCCO 2230a_100160569302_100000709892 [0,2,0,0,0,0|2,0,0]=4 21896 B12R0.95 CC(C)OCNC[C@H](C)CCCO 34a_100160569302_100000709892 [0,2,0,0,0,0|2,0,0]=4 21897 B12R0.95 CC(O)CCCOC(C)CCCCl 34a_200000718107_200000718107 [0,2,0,0,0,0|2,0,0]=4 21898 B12R0.95 CC(O)CCCOC(C)CCCCl 7a_200000718107_200000718107 [0,2,0,0,0,0|2,0,0]=4 21899 B12R0.95 CC(O)CCNC[C@H](C)CCCO 2230a_100160569302_100012276601 [0,2,0,0,0,0|1,0,0]=3 21900 B12R0.95 CC(O)CCNC[C@H](C)CCCO 34a_100160569302_100012276601 [0,2,0,0,0,0|1,0,0]=3 21901 B12R0.95 CCCCC(=O)CCCCB(O)O 1458a_100000210183_200009817182 [0,2,0,0,0,0|1,0,1]=4 21902 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,2,0,0,0,0|1,0,1]=4 21903 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,2,0,0,0,0|1,0,1]=4 21904 B12R0.95 CCCCC(C)COCCC(C)C 34a_100011995851_100000210312 [0,2,0,0,0,0|2,0,0]=4 21905 B12R0.95 CCCCC(C)COCCC(C)C 7a_100011995851_100000210626 [0,2,0,0,0,0|2,0,0]=4 21906 B12R0.95 CCCCC(C)COCCC(C)O 34a_100011995851_100012276601 [0,2,0,0,0,0|1,0,0]=3 21907 B12R0.95 CCCCC(C)COCCC(C)O 7a_100011995851_100012276601 [0,2,0,0,0,0|1,0,0]=3 21908 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_100000126638_100011214892 [0,2,0,0,0,0|2,0,0]=4 21909 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_200000737386_200011215066 [0,2,0,0,0,0|2,0,0]=4 21910 B12R0.95 CCCCC(C)NCCCC(C)C 270004a_200000737386_100000210087 [0,2,0,0,0,0|2,0,0]=4 21911 B12R0.95 CCCCC(C)NCCCC(C)C 34a_200000737386_200011215066 [0,2,0,0,0,0|2,0,0]=4 21912 B12R0.95 CCCCC(C)NCCCC(C)O 2230a_100000126638_200000718107 [0,2,0,0,0,0|1,0,0]=3 21913 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [0,2,0,0,0,0|2,0,0]=4 21914 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [0,2,0,0,0,0|2,0,0]=4 21915 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [0,2,0,0,0,0|2,0,0]=4 21916 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [0,2,0,0,0,0|2,0,0]=4 21917 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,2,0,0,0,0|1,0,0]=3 21918 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,2,0,0,0,0|1,0,0]=3 21919 B12R0.95 CCCCC(C)SCCCC(C)C 62a_100011214892_200011215066 [0,2,0,0,0,0|2,0,0]=4 21920 B12R0.95 CCCCC(C)SCCCC(C)C 62a_200011215066_100011214892 [0,2,0,0,0,0|2,0,0]=4 21921 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200000718107_200011215066 [0,2,0,0,0,0|1,0,0]=3 21922 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200011215066_200000718107 [0,2,0,0,0,0|1,0,0]=3 21923 B12R0.95 CCCCN(C)CCCCB(O)O 2230a_100000207549_200009817182 [0,2,0,0,0,0|2,0,0]=4 21924 B12R0.95 CCCCN(C)CCCCB(O)O 269982a_100000207549_200009817182 [0,2,0,0,0,0|2,0,0]=4 21925 B12R0.95 CCCCN(C)CCCCC(C)C 2230a_100000207549_100011216152 [0,2,0,0,0,0|2,0,0]=4 21926 B12R0.95 CCCCN(C)CCCCC(C)C 269982a_100000207549_100011216152 [0,2,0,0,0,0|2,0,0]=4 21927 B12R0.95 CCCC[C@H](N)COCCC(C)C 34a_100011934283_100000210312 [0,2,0,0,0,0|2,0,0]=4 21928 B12R0.95 CCCC[C@H](N)COCCC(C)O 34a_100011934283_100012276601 [0,2,0,0,0,0|1,0,0]=3 21929 B12R0.95 CCCOC(C)CNCCC(C)O 2230a_100015185124_100012276601 [0,2,0,0,0,0|2,0,0]=4 21930 B12R0.95 CCCOC(C)CNCCC(C)O 34a_100015185124_100012276601 [0,2,0,0,0,0|2,0,0]=4 21931 B12R0.95 CCOCC(C)OCCCC(C)O 34a_100000718985_200000718107 [0,2,0,0,0,0|2,0,0]=4 21932 B12R0.95 CCOCC(C)OCCCC(C)O 7a_100000718985_200000718107 [0,2,0,0,0,0|2,0,0]=4 21933 B12R0.95 CCOCC(O)CNCCC(C)O 2230a_102515437182_100012276601 [0,2,0,0,0,0|2,0,0]=4 21934 B12R0.95 CCOCC(O)CNCCC(C)O 34a_102515437182_100012276601 [0,2,0,0,0,0|2,0,0]=4 21935 B12R0.95 CN(C)CCCCN(C)CCCO 269982a_100000213112_100000690147 [0,2,0,0,0,0|2,0,0]=4 21936 B12R0.95 CSCC[C@H](N)COCCC(C)O 34a_100011827619_100012276601 [0,2,0,0,0,0|2,0,0]=4 21937 B12R0.103 CCCCC(C)NC(C)CCCC 2230a_100000126638_200011215066 [0,2,0,0,0,0|2,0,0]=4 21938 B12R0.103 CCCCC(C)NC(C)CCCC 270004a_100000126638_100000210087 [0,2,0,0,0,0|2,0,0]=4 21939 B12R0.103 CCCCC(C)OC(C)CCCC 34a_100000687866_200011215066 [0,2,0,0,0,0|2,0,0]=4 21940 B12R0.103 CCCCC(C)OC(C)CCCC 7a_100000687866_200011215066 [0,2,0,0,0,0|2,0,0]=4 21941 B12R0.103 CCCCC(C)OC(C)CCCCl 34a_200000718107_200011215066 [0,2,0,0,0,0|2,0,0]=4 21942 B12R0.103 CCCCC(C)OC(C)CCCCl 7a_200000718107_200011215066 [0,2,0,0,0,0|2,0,0]=4 21943 B12R0.103 CCCCC(C)SC(C)CCCC 62a_200011215066_200011215066 [0,2,0,0,0,0|2,0,0]=4 21944 B12R0.111 C#CC(CCCC)OCCCCC 34a_200011217967_100000718602 [0,2,0,0,0,0|2,0,0]=4 21945 B12R0.111 C#CC(CCCC)OCCCCC 7a_200011217967_100000210326 [0,2,0,0,0,0|2,0,0]=4 21946 B12R0.111 C#CC(CCCC)OCCCCF 34a_200011217967_100000729493 [0,2,0,0,0,0|2,0,0]=4 21947 B12R0.111 C#CC(CCCC)OCCCCF 7a_200011217967_100000729493 [0,2,0,0,0,0|2,0,0]=4 21948 B12R0.111 C#CC(CCCC)OCCCCO 34a_200011217967_100011216708 [0,2,0,0,0,0|1,0,0]=3 21949 B12R0.111 C#CC(CCCC)OCCCCO 7a_200011217967_100000210776 [0,2,0,0,0,0|1,0,0]=3 21950 B12R0.111 C#CC(CCCCCBr)OCCC 34a_200010408556_100000210303 [0,2,0,0,0,0|2,0,0]=4 21951 B12R0.111 C#CC(CCCCCBr)OCCC 7a_200010408556_100000210303 [0,2,0,0,0,0|2,0,0]=4 21952 B12R0.111 C#CC(CCCCCBr)OCCO 34a_200010408556_100000211926 [0,2,0,0,0,0|2,0,0]=4 21953 B12R0.111 C#CC(CCCCCBr)OCCO 7a_200010408556_100000211926 [0,2,0,0,0,0|2,0,0]=4 21954 B12R0.111 C=CC(CCCC)OCCCCC 34a_200011215037_100000718602 [0,2,0,0,0,0|2,0,0]=4 21955 B12R0.111 C=CC(CCCC)OCCCCC 7a_200011215037_100000210326 [0,2,0,0,0,0|2,0,0]=4 21956 B12R0.111 C=CC(CCCC)OCCCCF 34a_200011215037_100000729493 [0,2,0,0,0,0|2,0,0]=4 21957 B12R0.111 C=CC(CCCC)OCCCCF 7a_200011215037_100000729493 [0,2,0,0,0,0|2,0,0]=4 21958 B12R0.111 C=CC(CCCC)OCCCCO 34a_200011215037_100011216708 [0,2,0,0,0,0|1,0,0]=3 21959 B12R0.111 C=CC(CCCC)OCCCCO 7a_200011215037_100000210776 [0,2,0,0,0,0|1,0,0]=3 21960 B12R0.111 C=CC(CCCCCC)OCCC 34a_200011215977_100000210303 [0,2,0,0,0,0|2,0,0]=4 21961 B12R0.111 C=CC(CCCCCC)OCCC 7a_200011215977_100000210303 [0,2,0,0,0,0|2,0,0]=4 21962 B12R0.111 C=CC(CCCCCC)OCCF 34a_200011215977_100011217306 [0,2,0,0,0,0|2,0,0]=4 21963 B12R0.111 C=CC(CCCCCC)OCCF 7a_200011215977_100011217306 [0,2,0,0,0,0|2,0,0]=4 21964 B12R0.111 C=CC(CCCCCC)OCCO 34a_200011215977_100000211926 [0,2,0,0,0,0|1,0,0]=3 21965 B12R0.111 C=CC(CCCCCC)OCCO 7a_200011215977_100000211926 [0,2,0,0,0,0|1,0,0]=3 21966 B12R0.111 CCCCC(CC)CCCCNC 2230a_106832991635_200012094884 [0,2,0,0,0,0|2,0,0]=4 21967 B12R0.111 CCCCC(CC)CCCCNC 34a_100102657272_200012094884 [0,2,0,0,0,0|2,0,0]=4 21968 B12R0.111 CCCCC(CC)CCCCNC 7a_106832991635_200012094884 [0,2,0,0,0,0|2,0,0]=4 21969 B12R0.111 CCCCC(CC)CCCCOC 34a_100138415774_200012094884 [0,2,0,0,0,0|2,0,0]=4 21970 B12R0.111 CCCCC(CC)CCCCSC 62a_200000210301_200012094884 [0,2,0,0,0,0|2,0,0]=4 21971 B12R0.111 CCCCC(CC)CCCCSC 62a_200012094884_200000210301 [0,2,0,0,0,0|2,0,0]=4 21972 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200012094884_200025704644 [0,2,0,0,0,0|2,0,0]=4 21973 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200025704644_200012094884 [0,2,0,0,0,0|2,0,0]=4 21974 B12R0.111 CCCCC(CC)CNCCCF 2230a_100000209976_100011934791 [0,2,0,0,0,0|2,0,0]=4 21975 B12R0.111 CCCCC(CC)CNCCCF 2230a_100015189416_100000211942 [0,2,0,0,0,0|2,0,0]=4 21976 B12R0.111 CCCCC(CC)CNCCCF 269862a_100015189416_100011219736 [0,2,0,0,0,0|2,0,0]=4 21977 B12R0.111 CCCCC(CC)CNCCCF 270004a_100015189416_100011219736 [0,2,0,0,0,0|2,0,0]=4 21978 B12R0.111 CCCCC(CC)CNCCCF 34a_100015189416_100000211942 [0,2,0,0,0,0|2,0,0]=4 21979 B12R0.111 CCCCC(CC)CNCCCO 2230a_100000209976_100000230001 [0,2,0,0,0,0|1,0,0]=3 21980 B12R0.111 CCCCC(CC)CNCCCO 269862a_100000182051_100011219736 [0,2,0,0,0,0|1,0,0]=3 21981 B12R0.111 CCCCC(CC)CNCCCO 270004a_100000182051_100011219736 [0,2,0,0,0,0|1,0,0]=3 21982 B12R0.111 CCCCC(CC)COCCCBr 34a_100011217188_100000211942 [0,2,0,0,0,0|2,0,0]=4 21983 B12R0.111 CCCCC(CC)COCCCCl 34a_100000230001_100000211942 [0,2,0,0,0,0|2,0,0]=4 21984 B12R0.111 CCCCC(CC)COCCCF 34a_100000210273_100011934791 [0,2,0,0,0,0|2,0,0]=4 21985 B12R0.111 CCCCC(CC)COCCCF 34a_100000759539_100000211942 [0,2,0,0,0,0|2,0,0]=4 21986 B12R0.111 CCCCC(CC)COCCCF 7a_100000210273_100011934791 [0,2,0,0,0,0|2,0,0]=4 21987 B12R0.111 CCCCC(CC)COCCCN 34a_100000182051_100000211942 [0,2,0,0,0,0|2,0,0]=4 21988 B12R0.111 CCCCC(CC)COCCCO 34a_100000210273_100000230001 [0,2,0,0,0,0|1,0,0]=3 21989 B12R0.111 CCCCC(CC)COCCCO 7a_100000210273_100011215043 [0,2,0,0,0,0|1,0,0]=3 21990 B12R0.111 CCCCC(CC)CSCCCF 62a_100000211942_100011934791 [0,2,0,0,0,0|2,0,0]=4 21991 B12R0.111 CCCCC(CC)CSCCCF 62a_100011934791_100000211942 [0,2,0,0,0,0|2,0,0]=4 21992 B12R0.111 CCCCC(CC)CSCCCO 62a_100000211942_100011215043 [0,2,0,0,0,0|1,0,0]=3 21993 B12R0.111 CCCCC(CC)CSCCCO 62a_100011215043_100000211942 [0,2,0,0,0,0|1,0,0]=3 21994 B12R0.111 CCCCC(CC)NCCCCO 270004a_100000750430_100000753412 [0,2,0,0,0,0|1,0,0]=3 21995 B12R0.111 CCCCC(CC)NCCCCO 34a_100000750430_200011216223 [0,2,0,0,0,0|1,0,0]=3 21996 B12R0.111 CCCCC(CC)OCCCCBr 34a_100011216708_200011216223 [0,2,0,0,0,0|2,0,0]=4 21997 B12R0.111 CCCCC(CC)OCCCCCl 34a_100000210776_200011216223 [0,2,0,0,0,0|2,0,0]=4 21998 B12R0.111 CCCCC(CC)OCCCCCl 7a_100000210776_200011216223 [0,2,0,0,0,0|2,0,0]=4 21999 B12R0.111 CCCCC(CC)OCCCCF 34a_100011215227_100000729493 [0,2,0,0,0,0|2,0,0]=4 22000 B12R0.111 CCCCC(CC)OCCCCF 34a_100011995726_200011216223 [0,2,0,0,0,0|2,0,0]=4 22001 B12R0.111 CCCCC(CC)OCCCCF 7a_100011215227_100000729493 [0,2,0,0,0,0|2,0,0]=4 22002 B12R0.111 CCCCC(CC)OCCCCF 7a_100011995726_200011216223 [0,2,0,0,0,0|2,0,0]=4 22003 B12R0.111 CCCCC(CC)OCCCCI 34a_200012148704_200011216223 [0,2,0,0,0,0|2,0,0]=4 22004 B12R0.111 CCCCC(CC)OCCCCN 34a_100000750430_200011216223 [0,2,0,0,0,0|2,0,0]=4 22005 B12R0.111 CCCCC(CC)OCCCCO 34a_100011215227_100011216708 [0,2,0,0,0,0|1,0,0]=3 22006 B12R0.111 CCCCC(CC)OCCCCO 7a_100011215227_100000210776 [0,2,0,0,0,0|1,0,0]=3 22007 B12R0.111 CCCCC(CC)SCCCCF 62a_100000729493_200011216223 [0,2,0,0,0,0|2,0,0]=4 22008 B12R0.111 CCCCC(CC)SCCCCF 62a_200011216223_100000729493 [0,2,0,0,0,0|2,0,0]=4 22009 B12R0.111 CCCCC(CC)SCCCCO 62a_100000210776_200011216223 [0,2,0,0,0,0|1,0,0]=3 22010 B12R0.111 CCCCC(CC)SCCCCO 62a_200011216223_100000210776 [0,2,0,0,0,0|1,0,0]=3 22011 B12R0.111 CCCCCCC(CC)NCCC 270004a_100020643023_100011219640 [0,2,0,0,0,0|2,0,0]=4 22012 B12R0.111 CCCCCCC(CC)NCCO 270004a_100000210304_100011219640 [0,2,0,0,0,0|1,0,0]=3 22013 B12R0.111 CCCCCCC(CC)OCCC 34a_100011215785_100000210303 [0,2,0,0,0,0|2,0,0]=4 22014 B12R0.111 CCCCCCC(CC)OCCC 7a_100011215785_100000210303 [0,2,0,0,0,0|2,0,0]=4 22015 B12R0.111 CCCCCCC(CC)OCCF 34a_100011215785_100011217306 [0,2,0,0,0,0|2,0,0]=4 22016 B12R0.111 CCCCCCC(CC)OCCF 7a_100011215785_100011217306 [0,2,0,0,0,0|2,0,0]=4 22017 B12R0.111 CCCCCCC(CC)OCCO 34a_100011215785_100000211926 [0,2,0,0,0,0|1,0,0]=3 22018 B12R0.111 CCCCCCC(CC)OCCO 7a_100011215785_100000211926 [0,2,0,0,0,0|1,0,0]=3 22019 B12R0.111 CCCCCCC(CCCC)NC 270004a_106832991635_200011215745 [0,2,0,0,0,0|1,0,0]=3 22020 B12R0.111 CCCCCCC(CCCC)OC 34a_200011216055_200000210301 [0,2,0,0,0,0|1,0,0]=3 22021 B12R0.111 CCCCCCC(CCCC)OC 7a_200011216055_200000210301 [0,2,0,0,0,0|1,0,0]=3 22022 B12R0.111 CCCCCCC(CCCC)O[13CH3] 34a_200011216055_200025704644 [0,2,0,0,0,0|1,0,0]=3 22023 B12R0.111 CCCCCCC(CCCC)O[13CH3] 7a_200011216055_200025704644 [0,2,0,0,0,0|1,0,0]=3 22024 B12R0.111 CCCCCCN(CC)CCCC 2230a_100000207695_100000210314 [0,2,0,0,0,0|2,0,0]=4 22025 B12R0.111 CCCCCCN(CC)CCCC 2230a_200000207677_100000210202 [0,2,0,0,0,0|2,0,0]=4 22026 B12R0.111 CCCCCCN(CC)CCCC 269982a_100000207695_100000210757 [0,2,0,0,0,0|2,0,0]=4 22027 B12R0.111 CCCCCCN(CC)CCCC 269982a_200000207677_100000204670 [0,2,0,0,0,0|2,0,0]=4 22028 B12R0.111 CCCCCCN(CF)CCCC 269982a_200000207677_100015361967 [0,2,0,0,0,0|2,0,0]=4 22029 B12R0.111 CCCCCNC(CC)CCCC 270004a_100000209983_100000753412 [0,2,0,0,0,0|2,0,0]=4 22030 B12R0.111 CCCCCN[C@H](CO)CCCC 2230a_100011934283_100000210326 [0,2,0,0,0,0|2,0,0]=4 22031 B12R0.111 CCCCCN[C@H](CO)CCCC 34a_100011934283_100000718602 [0,2,0,0,0,0|2,0,0]=4 22032 B12R0.111 CCCCCOC(CC)CCCC 34a_100000210253_200011216223 [0,2,0,0,0,0|2,0,0]=4 22033 B12R0.111 CCCCCOC(CC)CCCC 34a_100011215227_100000718602 [0,2,0,0,0,0|2,0,0]=4 22034 B12R0.111 CCCCCOC(CC)CCCC 7a_100000210253_200011216223 [0,2,0,0,0,0|2,0,0]=4 22035 B12R0.111 CCCCCOC(CC)CCCC 7a_100011215227_100000210326 [0,2,0,0,0,0|2,0,0]=4 22036 B12R0.111 CCCCCSC(CC)CCCC 62a_100000210326_200011216223 [0,2,0,0,0,0|2,0,0]=4 22037 B12R0.111 CCCCCSC(CC)CCCC 62a_200011216223_100000210326 [0,2,0,0,0,0|2,0,0]=4 22038 B12R0.111 CCCCN(CC)CCCCCF 2230a_100000207695_100000729378 [0,2,0,0,0,0|2,0,0]=4 22039 B12R0.111 CCCCN(CC)CCCCCF 269982a_100000207695_100000729378 [0,2,0,0,0,0|2,0,0]=4 22040 B12R0.111 CCCCN(CC)CCCCCO 2230a_100000207695_100000746330 [0,2,0,0,0,0|1,0,0]=3 22041 B12R0.111 CCCCN(CC)CCCCCO 269982a_100000207695_100000746330 [0,2,0,0,0,0|1,0,0]=3 22042 B12R0.111 CCCCN(CC)CCNCCO 2230a_200011208488_100000211926 [0,2,0,0,0,0|2,0,0]=4 22043 B12R0.111 CCCCN(CC)CCOCCO 2230a_100000207695_100011215305 [0,2,0,0,0,0|2,0,0]=4 22044 B12R0.111 CCCCN(CC)CCOCCO 269982a_100000207695_100011215305 [0,2,0,0,0,0|2,0,0]=4 22045 B12R0.111 CCCCNCC(CC)CCCC 2230a_100000102301_100000211942 [0,2,0,0,0,0|2,0,0]=4 22046 B12R0.111 CCCCNCC(CC)CCCC 2230a_100000209976_100000210211 [0,2,0,0,0,0|2,0,0]=4 22047 B12R0.111 CCCCNCC(CC)CCCC 269862a_100000102301_100011219736 [0,2,0,0,0,0|2,0,0]=4 22048 B12R0.111 CCCCNCC(CC)CCCC 270004a_100000102301_100011219736 [0,2,0,0,0,0|2,0,0]=4 22049 B12R0.111 CCCCNCC(CC)CCCC 7a_106832991798_100000211942 [0,2,0,0,0,0|2,0,0]=4 22050 B12R0.111 CCCCOCC(CC)CCCC 34a_100000210227_100000211942 [0,2,0,0,0,0|2,0,0]=4 22051 B12R0.111 CCCCOCC(CC)CCCC 34a_100000210273_100000210210 [0,2,0,0,0,0|2,0,0]=4 22052 B12R0.111 CCCCOCC(CC)CCCC 7a_100000210227_100000211942 [0,2,0,0,0,0|2,0,0]=4 22053 B12R0.111 CCCCOCC(CC)CCCC 7a_100000210273_100000210211 [0,2,0,0,0,0|2,0,0]=4 22054 B12R0.111 CCCCSCC(CC)CCCC 62a_100000210211_100000211942 [0,2,0,0,0,0|2,0,0]=4 22055 B12R0.111 CCCCSCC(CC)CCCC 62a_100000211942_100000210210 [0,2,0,0,0,0|2,0,0]=4 22056 B12R0.111 CCCC[C@@H](CO)NCCCCF 2230a_100011934283_100000729493 [0,2,0,0,0,0|2,0,0]=4 22057 B12R0.111 CCCC[C@@H](CO)NCCCCF 34a_100011934283_100000729493 [0,2,0,0,0,0|2,0,0]=4 22058 B12R0.111 CCCC[C@@H](CO)NCCCCO 2230a_100011934283_100000210776 [0,2,0,0,0,0|1,0,0]=3 22059 B12R0.111 CCCC[C@@H](CO)NCCCCO 34a_100011934283_100011216708 [0,2,0,0,0,0|1,0,0]=3 22060 B12R0.111 CCN(CCCCCO)CCOC 2230a_100000731262_100000746330 [0,2,0,0,0,0|2,0,0]=4 22061 B12R0.111 CCN(CCCCCO)CCOC 269982a_100000731262_100000746330 [0,2,0,0,0,0|2,0,0]=4 22062 B12R0.111 CCOCC(CN)OCCCCO 34a_102515437182_100011216708 [0,2,0,0,0,0|2,0,0]=4 22063 B12R0.111 CSCC[C@@H](CO)NCCCCO 2230a_100011827619_100000210776 [0,2,0,0,0,0|2,0,0]=4 22064 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,2,0,0,0,0|0,0,2]=4 22065 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,2,0,0,0,0|0,0,2]=4 22066 B12R0.255 C=C(C)CCC(C)NCCCCO 270004a_100000750430_100011215600 [0,2,0,0,0,0|1,0,1]=4 22067 B12R0.255 C=C(C)CCN(C)CCCCCO 2230a_100000722520_100000730704 [0,2,0,0,0,0|1,0,1]=4 22068 B12R0.255 C=C(C)CCN(C)CCCCCO 269982a_100000722520_100000730704 [0,2,0,0,0,0|1,0,1]=4 22069 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,2,0,0,0,0|1,0,1]=4 22070 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,2,0,0,0,0|1,0,1]=4 22071 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,2,0,0,0,0|0,0,1]=3 22072 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,2,0,0,0,0|0,0,1]=3 22073 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100000181311_100011215305 [0,2,0,0,0,0|1,0,1]=4 22074 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100011229844_100000210312 [0,2,0,0,0,0|1,0,1]=4 22075 B12R0.255 CC(C)CCC(=O)NCCCCO 240690a_100000750430_100000181311 [0,2,0,0,0,0|1,0,1]=4 22076 B12R0.255 CC(C)CCC(=O)NCCCCO 527a_100000750430_100000181311 [0,2,0,0,0,0|1,0,1]=4 22077 B12R0.255 CC(C)CCC(C)NCCCCF 2230a_100138410893_100000729493 [0,2,0,0,0,0|2,0,0]=4 22078 B12R0.255 CC(C)CCC(C)NCCCCO 2230a_100000750430_100011261404 [0,2,0,0,0,0|1,0,0]=3 22079 B12R0.255 CC(C)CCC(C)NCCCCO 2230a_100138410893_100000210776 [0,2,0,0,0,0|1,0,0]=3 22080 B12R0.255 CC(C)CCC(C)NCCCCO 270004a_100000750430_100000210476 [0,2,0,0,0,0|1,0,0]=3 22081 B12R0.255 CC(C)CCC(C)NCCCCO 34a_100000750430_100011261404 [0,2,0,0,0,0|1,0,0]=3 22082 B12R0.255 CC(C)CCC(C)OCCCCBr 34a_100011216708_100011261404 [0,2,0,0,0,0|2,0,0]=4 22083 B12R0.255 CC(C)CCC(C)OCCCCCl 34a_100000210776_100011261404 [0,2,0,0,0,0|2,0,0]=4 22084 B12R0.255 CC(C)CCC(C)OCCCCF 34a_100011215350_100000729493 [0,2,0,0,0,0|2,0,0]=4 22085 B12R0.255 CC(C)CCC(C)OCCCCF 34a_100011995726_100011261404 [0,2,0,0,0,0|2,0,0]=4 22086 B12R0.255 CC(C)CCC(C)OCCCCF 7a_100011215350_100000729493 [0,2,0,0,0,0|2,0,0]=4 22087 B12R0.255 CC(C)CCC(C)OCCCCI 34a_200012148704_100011261404 [0,2,0,0,0,0|2,0,0]=4 22088 B12R0.255 CC(C)CCC(C)OCCCCN 34a_100000750430_100011261404 [0,2,0,0,0,0|2,0,0]=4 22089 B12R0.255 CC(C)CCC(C)OCCCCO 34a_100011215350_100011216708 [0,2,0,0,0,0|1,0,0]=3 22090 B12R0.255 CC(C)CCC(C)OCCCCO 7a_100011215350_100000210776 [0,2,0,0,0,0|1,0,0]=3 22091 B12R0.255 CC(C)CCC(C)SCCCCF 62a_100000729493_100011261404 [0,2,0,0,0,0|2,0,0]=4 22092 B12R0.255 CC(C)CCC(C)SCCCCF 62a_100011261404_100000729493 [0,2,0,0,0,0|2,0,0]=4 22093 B12R0.255 CC(C)CCC(C)SCCCCO 62a_100000210776_100011261404 [0,2,0,0,0,0|1,0,0]=3 22094 B12R0.255 CC(C)CCC(C)SCCCCO 62a_100011261404_100000210776 [0,2,0,0,0,0|1,0,0]=3 22095 B12R0.255 CC(C)CCN(C)CCCCCF 2230a_100000742789_100000729378 [0,2,0,0,0,0|2,0,0]=4 22096 B12R0.255 CC(C)CCN(C)CCCCCF 269982a_100000742789_100000729378 [0,2,0,0,0,0|2,0,0]=4 22097 B12R0.255 CC(C)CCN(C)CCCCCO 2230a_100000722520_100000210312 [0,2,0,0,0,0|1,0,0]=3 22098 B12R0.255 CC(C)CCN(C)CCCCCO 2230a_100000742789_100000746330 [0,2,0,0,0,0|1,0,0]=3 22099 B12R0.255 CC(C)CCN(C)CCCCCO 269982a_100000722520_100000210312 [0,2,0,0,0,0|1,0,0]=3 22100 B12R0.255 CC(C)CCN(C)CCCCCO 269982a_100000742789_100000746330 [0,2,0,0,0,0|1,0,0]=3 22101 B12R0.255 CC(C)CCN(C)CCOCCO 2230a_100000228057_100000210312 [0,2,0,0,0,0|2,0,0]=4 22102 B12R0.255 CC(C)CCN(C)CCOCCO 2230a_100000742789_100011215305 [0,2,0,0,0,0|2,0,0]=4 22103 B12R0.255 CC(C)CCN(C)CCOCCO 269982a_100000228057_100000210312 [0,2,0,0,0,0|2,0,0]=4 22104 B12R0.255 CC(C)CCN(C)CCOCCO 269982a_100000742789_100011215305 [0,2,0,0,0,0|2,0,0]=4 22105 B12R0.255 CC(C)CNC(=O)CCCCCO 240690a_100000210953_100102619762 [0,2,0,0,0,0|1,0,1]=4 22106 B12R0.255 CC(C)OCC(=O)CCCCCO 1458a_100000745533_100000746330 [0,2,0,0,0,0|1,0,1]=4 22107 B12R0.255 CC(C)OCN(C)CCCCCO 2230a_100000722520_100000709892 [0,2,0,0,0,0|2,0,0]=4 22108 B12R0.255 CC(C)OCN(C)CCCCCO 269982a_100000722520_100000709892 [0,2,0,0,0,0|2,0,0]=4 22109 B12R0.255 CC(C)SCC(=O)CCCCCO 1458a_100000241585_100000746330 [0,2,0,0,0,0|1,0,1]=4 22110 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,2,0,0,0,0|0,0,1]=3 22111 B12R0.255 CC(O)CCC(=O)CCOCCO 1458a_100011229844_100012276601 [0,2,0,0,0,0|1,0,1]=4 22112 B12R0.255 CC(O)CCN(C)CCCCCO 2230a_100000722520_100012276601 [0,2,0,0,0,0|1,0,0]=3 22113 B12R0.255 CC(O)CCN(C)CCCCCO 269982a_100000722520_100012276601 [0,2,0,0,0,0|1,0,0]=3 22114 B12R0.255 CC(O)CCN(C)CCOCCO 2230a_100000228057_100012276601 [0,2,0,0,0,0|2,0,0]=4 22115 B12R0.255 CC(O)CCN(C)CCOCCO 269982a_100000228057_100012276601 [0,2,0,0,0,0|2,0,0]=4 22116 B12R0.255 CC(O)CNC(=O)CCCCCO 240690a_100000210904_100102619762 [0,2,0,0,0,0|1,0,1]=4 22117 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,2,0,0,0,0|1,0,1]=4 22118 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,2,0,0,0,0|1,0,1]=4 22119 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,2,0,0,0,0|0,0,1]=3 22120 B12R0.255 CCCCCCC(=O)NCC(C)O 11a_100000210904_100102632555 [0,2,0,0,0,0|1,0,1]=4 22121 B12R0.255 CCCCCCC(=O)NCC(C)O 240690a_100000210904_100102632555 [0,2,0,0,0,0|1,0,1]=4 22122 B12R0.255 CCCCCCC(=O)NCC(C)O 527a_100000210904_100102632555 [0,2,0,0,0,0|1,0,1]=4 22123 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,2,0,0,0,0|1,0,1]=4 22124 B12R0.255 CCCCCCC(C)NCC(C)C 2230a_100000210919_100000210760 [0,2,0,0,0,0|2,0,0]=4 22125 B12R0.255 CCCCCCC(C)NCC(C)C 2230a_100000210953_100011215978 [0,2,0,0,0,0|2,0,0]=4 22126 B12R0.255 CCCCCCC(C)NCC(C)C 270004a_100000210919_100000210432 [0,2,0,0,0,0|2,0,0]=4 22127 B12R0.255 CCCCCCC(C)NCC(C)C 270004a_100000210953_100000210826 [0,2,0,0,0,0|2,0,0]=4 22128 B12R0.255 CCCCCCC(C)NCC(C)C 34a_100000210919_100000210624 [0,2,0,0,0,0|2,0,0]=4 22129 B12R0.255 CCCCCCC(C)NCC(C)C 34a_100000210953_100011215978 [0,2,0,0,0,0|2,0,0]=4 22130 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210904_100011215978 [0,2,0,0,0,0|1,0,0]=3 22131 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210919_100011218427 [0,2,0,0,0,0|1,0,0]=3 22132 B12R0.255 CCCCCCC(C)NCC(C)O 270004a_100000210904_100000210826 [0,2,0,0,0,0|1,0,0]=3 22133 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210904_100011215978 [0,2,0,0,0,0|1,0,0]=3 22134 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210919_100011218427 [0,2,0,0,0,0|1,0,0]=3 22135 B12R0.255 CCCCCCC(C)NCC(F)F 2230a_100000210919_100011934356 [0,2,0,0,0,0|2,0,0]=4 22136 B12R0.255 CCCCCCC(C)NCC(F)F 270004a_100000765723_100000210826 [0,2,0,0,0,0|2,0,0]=4 22137 B12R0.255 CCCCCCC(C)NCC(F)F 34a_100000210919_100011934356 [0,2,0,0,0,0|2,0,0]=4 22138 B12R0.255 CCCCCCC(C)NCC(F)F 34a_100000765723_100011215978 [0,2,0,0,0,0|2,0,0]=4 22139 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 2230a_100000210919_100009817552 [0,2,0,0,0,0|1,0,0]=3 22140 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 34a_100000210919_100009817552 [0,2,0,0,0,0|1,0,0]=3 22141 B12R0.255 CCCCCCC(C)OCC(C)Br 34a_100012180447_100011215978 [0,2,0,0,0,0|2,0,0]=4 22142 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210257_100011215978 [0,2,0,0,0,0|2,0,0]=4 22143 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210265_100000210624 [0,2,0,0,0,0|2,0,0]=4 22144 B12R0.255 CCCCCCC(C)OCC(C)C 7a_100000210265_100000210760 [0,2,0,0,0,0|2,0,0]=4 22145 B12R0.255 CCCCCCC(C)OCC(C)F 34a_100015925927_100011215978 [0,2,0,0,0,0|2,0,0]=4 22146 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,2,0,0,0,0|1,0,0]=3 22147 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,2,0,0,0,0|1,0,0]=3 22148 B12R0.255 CCCCCCC(C)OCC(F)F 34a_100000210265_100011934356 [0,2,0,0,0,0|2,0,0]=4 22149 B12R0.255 CCCCCCC(C)OCC(F)F 34a_100000743014_100011215978 [0,2,0,0,0,0|2,0,0]=4 22150 B12R0.255 CCCCCCC(C)OCC(F)F 7a_100000210265_100011934356 [0,2,0,0,0,0|2,0,0]=4 22151 B12R0.255 CCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215978 [0,2,0,0,0,0|2,0,0]=4 22152 B12R0.255 CCCCCCC(C)OC[C@@H](C)N 34a_100000737577_100011215978 [0,2,0,0,0,0|2,0,0]=4 22153 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,2,0,0,0,0|1,0,0]=3 22154 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,2,0,0,0,0|1,0,0]=3 22155 B12R0.255 CCCCCCC(C)SCC(C)C 62a_100000210624_100011215978 [0,2,0,0,0,0|2,0,0]=4 22156 B12R0.255 CCCCCCC(C)SCC(C)C 62a_100011215978_100000210760 [0,2,0,0,0,0|2,0,0]=4 22157 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011215978_100011218427 [0,2,0,0,0,0|1,0,0]=3 22158 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011218427_100011215978 [0,2,0,0,0,0|1,0,0]=3 22159 B12R0.255 CCCCCCC(C)SCC(F)F 62a_100011215978_100011934356 [0,2,0,0,0,0|2,0,0]=4 22160 B12R0.255 CCCCCCC(C)SCC(F)F 62a_100011934356_100011215978 [0,2,0,0,0,0|2,0,0]=4 22161 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100009817552_100011215978 [0,2,0,0,0,0|1,0,0]=3 22162 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100011215978_100009817552 [0,2,0,0,0,0|1,0,0]=3 22163 B12R0.255 CCCCCCN(C)CCC(C)C 2230a_100000742789_100000210314 [0,2,0,0,0,0|2,0,0]=4 22164 B12R0.255 CCCCCCN(C)CCC(C)C 2230a_106256046315_100000210312 [0,2,0,0,0,0|2,0,0]=4 22165 B12R0.255 CCCCCCN(C)CCC(C)C 269982a_100000742789_100000210757 [0,2,0,0,0,0|2,0,0]=4 22166 B12R0.255 CCCCCCN(C)CCC(C)C 269982a_106256046315_100000210312 [0,2,0,0,0,0|2,0,0]=4 22167 B12R0.255 CCCCCCN(C)CCC(C)O 2230a_106256046315_100012276601 [0,2,0,0,0,0|1,0,0]=3 22168 B12R0.255 CCCCCCN(C)CCC(C)O 269982a_106256046315_100012276601 [0,2,0,0,0,0|1,0,0]=3 22169 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,2,0,0,0,0|1,0,1]=4 22170 B12R0.255 CCCCCNC(C)CCC(C)C 2230a_100000209983_100011261404 [0,2,0,0,0,0|2,0,0]=4 22171 B12R0.255 CCCCCNC(C)CCC(C)C 2230a_100138410893_100000210326 [0,2,0,0,0,0|2,0,0]=4 22172 B12R0.255 CCCCCNC(C)CCC(C)C 270004a_100000209983_100000210476 [0,2,0,0,0,0|2,0,0]=4 22173 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100000210253_100011261404 [0,2,0,0,0,0|2,0,0]=4 22174 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100011215350_100000718602 [0,2,0,0,0,0|2,0,0]=4 22175 B12R0.255 CCCCCOC(C)CCC(C)C 7a_100011215350_100000210326 [0,2,0,0,0,0|2,0,0]=4 22176 B12R0.255 CCCCCSC(C)CCC(C)C 62a_100000210326_100011261404 [0,2,0,0,0,0|2,0,0]=4 22177 B12R0.255 CCCCCSC(C)CCC(C)C 62a_100011261404_100000210326 [0,2,0,0,0,0|2,0,0]=4 22178 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,2,0,0,0,0|1,0,1]=4 22179 B12R0.255 CCCCOCC(C)OCC(C)O 34a_100011217071_100011218427 [0,2,0,0,0,0|2,0,0]=4 22180 B12R0.255 CCCCOCC(C)OCC(C)O 7a_100011217071_100011218427 [0,2,0,0,0,0|2,0,0]=4 22181 B12R0.255 CCCCOCC(C)OC[C@@H](C)O 34a_100011217071_100009817552 [0,2,0,0,0,0|2,0,0]=4 22182 B12R0.255 CCCCOCC(C)OC[C@@H](C)O 7a_100011217071_100009817552 [0,2,0,0,0,0|2,0,0]=4 22183 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,2,0,0,0,0|1,0,1]=4 22184 B12R0.255 CN(C)CCN(C)CCCCCO 269982a_100000225618_100000746330 [0,2,0,0,0,0|2,0,0]=4 22185 B12R0.255 CN(C)CCN(C)CCCCCO 269982a_100000722520_100000755713 [0,2,0,0,0,0|2,0,0]=4 22186 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,2,0,0,0,0|1,0,1]=4 22187 B12R0.585 CC(C)(CCCBr)OCCCCO 7a_100009888830_100000210776 [0,2,0,0,0,0|2,0,0]=4 22188 B12R0.585 CC(C)(CCCCCBr)OCCO 7a_100010402123_100000211926 [0,2,0,0,0,0|2,0,0]=4 22189 B12R0.585 CCCCC(C)(C)COCCCF 7a_200011995781_100011934791 [0,2,0,0,0,0|2,0,0]=4 22190 B12R0.585 CCCCC(C)(C)COCCCO 7a_200011995781_100011215043 [0,2,0,0,0,0|1,0,0]=3 22191 B12R0.585 CCCCC(C)(C)OCCCCF 7a_100011219641_100000729493 [0,2,0,0,0,0|2,0,0]=4 22192 B12R0.585 CCCCC(C)(C)OCCCCO 7a_100011219641_100000210776 [0,2,0,0,0,0|1,0,0]=3 22193 B12R0.585 CCCCCCC(C)(C)OCCC 7a_200011995690_100000210303 [0,2,0,0,0,0|2,0,0]=4 22194 B12R0.585 CCCCCCC(C)(C)OCCF 7a_200011995690_100011217306 [0,2,0,0,0,0|2,0,0]=4 22195 B12R0.585 CCCCCCC(C)(C)OCCO 7a_200011995690_100000211926 [0,2,0,0,0,0|1,0,0]=3 22196 B12R0.585 CCCCCCS(=O)(=O)NCCO 270084a_100000210304_100011361803 [0,2,0,0,0,0|2,0,0]=4 22197 B12R0.585 CCCCCCS(=O)(=O)NCCO 274078a_100000210304_100011361803 [0,2,0,0,0,0|2,0,0]=4 22198 B12R0.585 CCCCCOC(C)(C)CCCBr 7a_100009888830_100000210326 [0,2,0,0,0,0|2,0,0]=4 22199 B12R0.585 CCCCCOC(C)(C)CCCC 7a_100011219641_100000210326 [0,2,0,0,0,0|2,0,0]=4 22200 B12R0.585 CCCCOCC(C)(C)CCCC 7a_200011995781_100000210211 [0,2,0,0,0,0|2,0,0]=4 22201 B12R0.585 CCCCS(=O)(=O)NCCCCO 270084a_100000750430_100000212082 [0,2,0,0,0,0|2,0,0]=4 22202 B12R0.585 CCCCS(=O)(=O)NCCCCO 274078a_100000750430_100000212082 [0,2,0,0,0,0|2,0,0]=4 22203 B12R0.585 CCCCS(=O)(=O)NCCCCO 40a_100000750430_100000054263 [0,2,0,0,0,0|2,0,0]=4 22204 B12R0.585 CCCC[Si](C)(C)CSCCCO 62a_100011215043_200000073895 [0,2,0,0,0,0|1,1,0]=4 22205 B12R0.585 CCCC[Si](C)(C)CSCCCO 62a_200000073895_100011215043 [0,2,0,0,0,0|1,1,0]=4 22206 B12R0.585 CCCOC(C)(C)CCCCCBr 7a_100010402123_100000210303 [0,2,0,0,0,0|2,0,0]=4 22207 B12R0.648 CCCCC(=O)N(C)CCCCO 240690a_100000717598_100000210183 [0,2,0,0,0,0|1,0,1]=4 22208 B12R0.648 CCCCC(C)C(=O)CCCCF 1458a_100000725509_100000729493 [0,2,0,0,0,0|1,0,1]=4 22209 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000695505_200011215066 [0,2,0,0,0,0|0,0,1]=3 22210 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000725509_100000210776 [0,2,0,0,0,0|0,0,1]=3 22211 B12R0.648 CCCCC(C)C(=O)COCCO 1458a_100000708028_200011215066 [0,2,0,0,0,0|1,0,1]=4 22212 B12R0.648 CCCCC(C)C(=O)NCCCO 240690a_100000182051_100000725509 [0,2,0,0,0,0|1,0,1]=4 22213 B12R0.648 CCCCC(C)C(=O)NCCCO 527a_100000182051_100000725509 [0,2,0,0,0,0|1,0,1]=4 22214 B12R0.648 CCCCC(C)N(C)CCCCO 2230a_100000717598_200011215066 [0,2,0,0,0,0|1,0,0]=3 22215 B12R0.648 CCCCC(C)N(C)CCCCO 269982a_100000717598_200011215066 [0,2,0,0,0,0|1,0,0]=3 22216 B12R0.648 CCCCC(C)N(C)CCCCO 270004a_100000717598_100000210087 [0,2,0,0,0,0|1,0,0]=3 22217 B12R0.648 CCCCC(O)C(=O)CCCCF 1458a_100000720857_100000729493 [0,2,0,0,0,0|1,0,1]=4 22218 B12R0.648 CCCCC(O)C(=O)CCCCO 1458a_100000720857_100000210776 [0,2,0,0,0,0|0,0,1]=3 22219 B12R0.648 CCCCC(O)C(=O)NCCCO 240690a_100000182051_100000720857 [0,2,0,0,0,0|1,0,1]=4 22220 B12R0.648 CCCCC(O)C(=O)NCCCO 527a_100000182051_100000720857 [0,2,0,0,0,0|1,0,1]=4 22221 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000212188_200011215066 [0,2,0,0,0,0|1,0,1]=4 22222 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210326 [0,2,0,0,0,0|1,0,1]=4 22223 B12R0.648 CCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210326 [0,2,0,0,0,0|1,0,1]=4 22224 B12R0.648 CCCCCC(=O)N(C)CCCO 240690a_100000213112_100000212188 [0,2,0,0,0,0|1,0,1]=4 22225 B12R0.648 CCCCCC(=O)N(C)CCCO 527a_100000213112_100000212188 [0,2,0,0,0,0|1,0,1]=4 22226 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,2,0,0,0,0|1,0,1]=4 22227 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,2,0,0,0,0|1,0,1]=4 22228 B12R0.648 CCCCCC(C)C(=O)CCCF 1458a_100011215998_100011934791 [0,2,0,0,0,0|1,0,1]=4 22229 B12R0.648 CCCCCC(C)C(=O)CCCO 1458a_100011215998_100011215043 [0,2,0,0,0,0|0,0,1]=3 22230 B12R0.648 CCCCCC(C)C(=O)NCCO 240690a_100000210304_100011215998 [0,2,0,0,0,0|1,0,1]=4 22231 B12R0.648 CCCCCC(C)C(=O)NCCO 527a_100000210304_100011215998 [0,2,0,0,0,0|1,0,1]=4 22232 B12R0.648 CCCCCC(C)N(C)CCCC 2230a_100000207549_200011218191 [0,2,0,0,0,0|2,0,0]=4 22233 B12R0.648 CCCCCC(C)N(C)CCCC 269982a_100000207549_200011218191 [0,2,0,0,0,0|2,0,0]=4 22234 B12R0.648 CCCCCC(C)N(C)CCCC 270004a_100000207549_100000211708 [0,2,0,0,0,0|2,0,0]=4 22235 B12R0.648 CCCCCC(C)N(C)CCCO 2230a_100000213112_200011218191 [0,2,0,0,0,0|1,0,0]=3 22236 B12R0.648 CCCCCC(C)N(C)CCCO 269982a_100000213112_200011218191 [0,2,0,0,0,0|1,0,0]=3 22237 B12R0.648 CCCCCC(C)N(C)CCCO 270004a_100000213112_100000211708 [0,2,0,0,0,0|1,0,0]=3 22238 B12R0.648 CCCCCN(C)C(C)CCCC 2230a_100000223495_200011215066 [0,2,0,0,0,0|2,0,0]=4 22239 B12R0.648 CCCCCN(C)C(C)CCCC 269982a_100000223495_200011215066 [0,2,0,0,0,0|2,0,0]=4 22240 B12R0.648 CCCCCN(C)C(C)CCCC 270004a_100000223495_100000210087 [0,2,0,0,0,0|2,0,0]=4 22241 B12R0.648 CCCCN(C)C(=O)CCCCO 1626a_100000207549_100000695505 [0,2,0,0,0,0|1,0,1]=4 22242 B12R0.648 CCCCSC(C)C(=O)CCCO 1458a_100000191163_100011215043 [0,2,0,0,0,0|1,0,1]=4 22243 B12R0.648 CCCSCC(C)N(C)CCCO 270004a_100000213112_100011343953 [0,2,0,0,0,0|2,0,0]=4 22244 B12R0.648 CCOCCC(C)N(C)CCCO 270004a_100000213112_200011216536 [0,2,0,0,0,0|2,0,0]=4 22245 B12R0.648 CCSCC(C)N(C)CCCCO 270004a_100000717598_200011216171 [0,2,0,0,0,0|2,0,0]=4 22246 B12R0.648 COCCC(C)N(C)CCCCO 270004a_100000717598_100000742357 [0,2,0,0,0,0|2,0,0]=4 22247 B12R0.648 CSCCC(C)N(C)CCCCO 270004a_100000717598_100011217047 [0,2,0,0,0,0|2,0,0]=4 22248 B12R0.648 CSCCC(O)C(=O)CCCCO 1458a_100000685904_100000210776 [0,2,0,0,0,0|1,0,1]=4 22249 B12R0.648 CSCCCC(C)N(C)CCCO 270004a_100000213112_100011399439 [0,2,0,0,0,0|2,0,0]=4 22250 B12R0.117 C#CC(CCCCC)OCCCC 34a_100011216489_100000210210 [0,2,0,0,0,0|2,0,0]=4 22251 B12R0.117 C#CC(CCCCC)OCCCC 7a_100011216489_100000210211 [0,2,0,0,0,0|2,0,0]=4 22252 B12R0.117 C#CC(CCCCC)OCCCF 34a_100011216489_100011934791 [0,2,0,0,0,0|2,0,0]=4 22253 B12R0.117 C#CC(CCCCC)OCCCF 7a_100011216489_100011934791 [0,2,0,0,0,0|2,0,0]=4 22254 B12R0.117 C#CC(CCCCC)OCCCO 34a_100011216489_100000230001 [0,2,0,0,0,0|1,0,0]=3 22255 B12R0.117 C#CC(CCCCC)OCCCO 7a_100011216489_100011215043 [0,2,0,0,0,0|1,0,0]=3 22256 B12R0.117 C=CC(CCCCC)OCCCC 34a_100011216863_100000210210 [0,2,0,0,0,0|2,0,0]=4 22257 B12R0.117 C=CC(CCCCC)OCCCC 7a_100011216863_100000210211 [0,2,0,0,0,0|2,0,0]=4 22258 B12R0.117 C=CC(CCCCC)OCCCF 34a_100011216863_100011934791 [0,2,0,0,0,0|2,0,0]=4 22259 B12R0.117 C=CC(CCCCC)OCCCF 7a_100011216863_100011934791 [0,2,0,0,0,0|2,0,0]=4 22260 B12R0.117 C=CC(CCCCC)OCCCO 34a_100011216863_100000230001 [0,2,0,0,0,0|1,0,0]=3 22261 B12R0.117 C=CC(CCCCC)OCCCO 7a_100011216863_100011215043 [0,2,0,0,0,0|1,0,0]=3 22262 B12R0.117 CCCCCC(CC)NCCCC 270004a_100000102301_100011215316 [0,2,0,0,0,0|2,0,0]=4 22263 B12R0.117 CCCCCC(CC)NCCCF 270004a_100015189416_100011215316 [0,2,0,0,0,0|2,0,0]=4 22264 B12R0.117 CCCCCC(CC)NCCCO 270004a_100000182051_100011215316 [0,2,0,0,0,0|1,0,0]=3 22265 B12R0.117 CCCCCC(CC)OCCCC 34a_100011215405_100000210210 [0,2,0,0,0,0|2,0,0]=4 22266 B12R0.117 CCCCCC(CC)OCCCC 7a_100011215405_100000210211 [0,2,0,0,0,0|2,0,0]=4 22267 B12R0.117 CCCCCC(CC)OCCCF 34a_100011215405_100011934791 [0,2,0,0,0,0|2,0,0]=4 22268 B12R0.117 CCCCCC(CC)OCCCF 7a_100011215405_100011934791 [0,2,0,0,0,0|2,0,0]=4 22269 B12R0.117 CCCCCC(CC)OCCCO 34a_100011215405_100000230001 [0,2,0,0,0,0|1,0,0]=3 22270 B12R0.117 CCCCCC(CC)OCCCO 7a_100011215405_100011215043 [0,2,0,0,0,0|1,0,0]=3 22271 B12R0.117 CCCCCC(CCCCC)NC 2230a_100000698210_200000210301 [0,2,0,0,0,0|1,0,0]=3 22272 B12R0.117 CCCCCC(CCCCC)NC 270004a_106832991635_100000211668 [0,2,0,0,0,0|1,0,0]=3 22273 B12R0.117 CCCCCC(CCCCC)NC 34a_100000698210_200000210301 [0,2,0,0,0,0|1,0,0]=3 22274 B12R0.117 CCCCCC(CCCCC)N[13CH3] 2230a_100000698210_200025704644 [0,2,0,0,0,0|1,0,0]=3 22275 B12R0.117 CCCCCC(CCCCC)N[13CH3] 34a_100000698210_200025704644 [0,2,0,0,0,0|1,0,0]=3 22276 B12R0.117 CCCCCC(CCCCC)OC 34a_200011216036_200000210301 [0,2,0,0,0,0|1,0,0]=3 22277 B12R0.117 CCCCCC(CCCCC)OC 7a_200011216036_200000210301 [0,2,0,0,0,0|1,0,0]=3 22278 B12R0.117 CCCCCC(CCCCC)O[13CH3] 34a_200011216036_200025704644 [0,2,0,0,0,0|1,0,0]=3 22279 B12R0.117 CCCCCC(CCCCC)O[13CH3] 7a_200011216036_200025704644 [0,2,0,0,0,0|1,0,0]=3 22280 B12R0.117 CCCCCN(CC)CCCCC 2230a_100000210580_100000210202 [0,2,0,0,0,0|2,0,0]=4 22281 B12R0.117 CCCCCN(CC)CCCCC 269982a_100000210580_100000204670 [0,2,0,0,0,0|2,0,0]=4 22282 B12R0.117 CCCCCN(CC)CCCCO 2230a_100011217355_100000210326 [0,2,0,0,0,0|1,0,0]=3 22283 B12R0.117 CCCCCN(CC)CCCCO 269982a_100011217355_100000210215 [0,2,0,0,0,0|1,0,0]=3 22284 B12R0.117 CCCCCN(CF)CCCCC 269982a_100000210580_100015361967 [0,2,0,0,0,0|2,0,0]=4 22285 B12R0.117 CCN(CCCCO)CCCCF 2230a_100011217355_100000729493 [0,2,0,0,0,0|2,0,0]=4 22286 B12R0.117 CCN(CCCCO)CCCCF 269982a_100011217355_100000729493 [0,2,0,0,0,0|2,0,0]=4 22287 B12R0.117 CCN(CCCCO)CCCCO 2230a_100011217355_100000210776 [0,2,0,0,0,0|2,0,0]=4 22288 B12R0.117 CCN(CCCCO)CCCCO 2230a_100012279056_100000210202 [0,2,0,0,0,0|2,0,0]=4 22289 B12R0.117 CCN(CCCCO)CCCCO 269982a_100011217355_100000210776 [0,2,0,0,0,0|2,0,0]=4 22290 B12R0.117 CCN(CCCCO)CCCCO 34a_100012279056_100000210202 [0,2,0,0,0,0|2,0,0]=4 22291 B12R0.117 CCN(CCCCO)CCCOC 2230a_100011217355_100000740836 [0,2,0,0,0,0|2,0,0]=4 22292 B12R0.117 CCN(CCCCO)CCCOC 269982a_100011217355_100000740836 [0,2,0,0,0,0|2,0,0]=4 22293 B12R0.117 CCOCCN(CC)CCCCO 2230a_100011217355_100011215890 [0,2,0,0,0,0|2,0,0]=4 22294 B12R0.117 CCOCCN(CC)CCCCO 269982a_100011217355_100011215890 [0,2,0,0,0,0|2,0,0]=4 22295 B12R0.117 CCSCCN(CC)CCCCO 2230a_100011217355_100000757381 [0,2,0,0,0,0|2,0,0]=4 22296 B12R0.117 CCSCCN(CC)CCCCO 269982a_100011217355_100000757381 [0,2,0,0,0,0|2,0,0]=4 22297 B12R0.117 OCCCCN(CF)CCCCO 34a_100012279056_100015361967 [0,2,0,0,0,0|2,0,0]=4 22298 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,2,0,0,0,0|0,0,2]=4 22299 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,2,0,0,0,0|1,0,1]=4 22300 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,2,0,0,0,0|1,0,1]=4 22301 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,2,0,0,0,0|0,0,1]=3 22302 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,2,0,0,0,0|0,0,1]=3 22303 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [0,2,0,0,0,0|1,0,1]=4 22304 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [0,2,0,0,0,0|1,0,1]=4 22305 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [0,2,0,0,0,0|1,0,1]=4 22306 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [0,2,0,0,0,0|2,0,0]=4 22307 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [0,2,0,0,0,0|2,0,0]=4 22308 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100009816328_100015361967 [0,2,0,0,0,0|2,0,0]=4 22309 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100015361967_100009816328 [0,2,0,0,0,0|2,0,0]=4 22310 B12R0.233 CC(C)CCCC(C)NCCCF 2230a_100000210607_100011934791 [0,2,0,0,0,0|2,0,0]=4 22311 B12R0.233 CC(C)CCCC(C)NCCCF 270004a_100015189416_100000753411 [0,2,0,0,0,0|2,0,0]=4 22312 B12R0.233 CC(C)CCCC(C)NCCCO 2230a_100000210607_100000230001 [0,2,0,0,0,0|1,0,0]=3 22313 B12R0.233 CC(C)CCCC(C)NCCCO 270004a_100000182051_100000753411 [0,2,0,0,0,0|1,0,0]=3 22314 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [0,2,0,0,0,0|2,0,0]=4 22315 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [0,2,0,0,0,0|2,0,0]=4 22316 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [0,2,0,0,0,0|1,0,0]=3 22317 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [0,2,0,0,0,0|1,0,0]=3 22318 B12R0.233 CC(C)CCCN(C)CCCCO 2230a_100000717598_100011214892 [0,2,0,0,0,0|1,0,0]=3 22319 B12R0.233 CC(C)CCCN(C)CCCCO 269982a_100000717598_100011214892 [0,2,0,0,0,0|1,0,0]=3 22320 B12R0.233 CC(C)CCNC(=O)CCCCO 1626a_100000210545_100000695505 [0,2,0,0,0,0|1,0,1]=4 22321 B12R0.233 CC(C)COCC(=O)CCCCO 1458a_100011223364_100000210776 [0,2,0,0,0,0|1,0,1]=4 22322 B12R0.233 CC(C)COC[C@@H](N)CCCCN 34a_100016993712_100000210624 [0,2,0,0,0,0|2,0,0]=4 22323 B12R0.233 CC(C)OCCC(=O)CCCCO 1458a_100000695505_100000211751 [0,2,0,0,0,0|1,0,1]=4 22324 B12R0.233 CC(C)OCCN(C)CCCCO 2230a_100000717598_100000211751 [0,2,0,0,0,0|2,0,0]=4 22325 B12R0.233 CC(C)OCCN(C)CCCCO 269982a_100000717598_100000211751 [0,2,0,0,0,0|2,0,0]=4 22326 B12R0.233 CC(C)SCCC(=O)CCCCO 1458a_100000695505_100000730970 [0,2,0,0,0,0|1,0,1]=4 22327 B12R0.233 CC(C)SCCN(C)CCCCO 2230a_100000717598_100000730970 [0,2,0,0,0,0|2,0,0]=4 22328 B12R0.233 CC(C)SCCN(C)CCCCO 269982a_100000717598_100000730970 [0,2,0,0,0,0|2,0,0]=4 22329 B12R0.233 CC(CCOC(C)C)NCCCO 270004a_100000182051_200011219172 [0,2,0,0,0,0|2,0,0]=4 22330 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,2,0,0,0,0|0,0,1]=3 22331 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,2,0,0,0,0|1,0,1]=4 22332 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [0,2,0,0,0,0|1,0,1]=4 22333 B12R0.233 CC(O)CCCN(C)CCCCO 2230a_100000717598_200000718107 [0,2,0,0,0,0|1,0,0]=3 22334 B12R0.233 CC(O)CCCN(C)CCCCO 269982a_100000717598_200000718107 [0,2,0,0,0,0|1,0,0]=3 22335 B12R0.233 CC(O)COC[C@@H](N)CCCCN 34a_100016993712_100011218427 [0,2,0,0,0,0|2,0,0]=4 22336 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,2,0,0,0,0|1,0,1]=4 22337 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,2,0,0,0,0|1,0,1]=4 22338 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,2,0,0,0,0|0,0,1]=3 22339 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,2,0,0,0,0|1,0,1]=4 22340 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,2,0,0,0,0|1,0,1]=4 22341 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,2,0,0,0,0|1,0,1]=4 22342 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,2,0,0,0,0|1,0,1]=4 22343 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,2,0,0,0,0|1,0,1]=4 22344 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,2,0,0,0,0|1,0,1]=4 22345 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,2,0,0,0,0|1,0,1]=4 22346 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,2,0,0,0,0|1,0,1]=4 22347 B12R0.233 CCCCCC(C)NCCC(C)C 2230a_100000211957_100000210312 [0,2,0,0,0,0|2,0,0]=4 22348 B12R0.233 CCCCCC(C)NCCC(C)C 269862a_100000211957_100000185833 [0,2,0,0,0,0|2,0,0]=4 22349 B12R0.233 CCCCCC(C)NCCC(C)C 270004a_100000210545_100000211708 [0,2,0,0,0,0|2,0,0]=4 22350 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_100000211957_100012276601 [0,2,0,0,0,0|1,0,0]=3 22351 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_200000755665_200011218191 [0,2,0,0,0,0|1,0,0]=3 22352 B12R0.233 CCCCCC(C)NCCC(C)O 270004a_200000755665_100000211708 [0,2,0,0,0,0|1,0,0]=3 22353 B12R0.233 CCCCCC(C)OCCC(C)Br 34a_100009893172_200011218191 [0,2,0,0,0,0|2,0,0]=4 22354 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,2,0,0,0,0|2,0,0]=4 22355 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,2,0,0,0,0|2,0,0]=4 22356 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,2,0,0,0,0|2,0,0]=4 22357 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,2,0,0,0,0|2,0,0]=4 22358 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,2,0,0,0,0|1,0,0]=3 22359 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,2,0,0,0,0|1,0,0]=3 22360 B12R0.233 CCCCCC(C)OCCC(F)F 34a_100103093639_200011218191 [0,2,0,0,0,0|2,0,0]=4 22361 B12R0.233 CCCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011218191 [0,2,0,0,0,0|2,0,0]=4 22362 B12R0.233 CCCCCC(C)SCCC(C)C 62a_100000210312_200011218191 [0,2,0,0,0,0|2,0,0]=4 22363 B12R0.233 CCCCCC(C)SCCC(C)C 62a_200011218191_100000210312 [0,2,0,0,0,0|2,0,0]=4 22364 B12R0.233 CCCCCC(C)SCCC(C)O 62a_100012276601_200011218191 [0,2,0,0,0,0|1,0,0]=3 22365 B12R0.233 CCCCCC(C)SCCC(C)O 62a_200011218191_100012276601 [0,2,0,0,0,0|1,0,0]=3 22366 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,2,0,0,0,0|1,0,1]=4 22367 B12R0.233 CCCCCN(C)CCCC(C)C 2230a_100000223495_100011214892 [0,2,0,0,0,0|2,0,0]=4 22368 B12R0.233 CCCCCN(C)CCCC(C)C 269982a_100000223495_100011214892 [0,2,0,0,0,0|2,0,0]=4 22369 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,2,0,0,0,0|1,0,0]=3 22370 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,2,0,0,0,0|1,0,0]=3 22371 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,2,0,0,0,0|1,0,1]=4 22372 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,2,0,0,0,0|1,0,1]=4 22373 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [0,2,0,0,0,0|2,0,0]=4 22374 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [0,2,0,0,0,0|2,0,0]=4 22375 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,2,0,0,0,0|2,0,0]=4 22376 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,2,0,0,0,0|2,0,0]=4 22377 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,2,0,0,0,0|1,0,1]=4 22378 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,2,0,0,0,0|1,0,1]=4 22379 B12R0.233 CCCSCC(C)NCCC(C)O 270004a_200000755665_100011343953 [0,2,0,0,0,0|2,0,0]=4 22380 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [0,2,0,0,0,0|2,0,0]=4 22381 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [0,2,0,0,0,0|2,0,0]=4 22382 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,2,0,0,0,0|1,0,1]=4 22383 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [0,2,0,0,0,0|2,0,0]=4 22384 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [0,2,0,0,0,0|2,0,0]=4 22385 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [0,2,0,0,0,0|2,0,0]=4 22386 B12R0.233 CCOCCC(C)NCCC(C)O 270004a_200000755665_200011216536 [0,2,0,0,0,0|2,0,0]=4 22387 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,2,0,0,0,0|1,0,1]=4 22388 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [0,2,0,0,0,0|2,0,0]=4 22389 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [0,2,0,0,0,0|2,0,0]=4 22390 B12R0.233 CN(C)CCCC(=O)CCCCO 1458a_100000695505_100000695564 [0,2,0,0,0,0|1,0,1]=4 22391 B12R0.233 CN(C)CCCN(C)CCCCO 269982a_100000225831_100000210776 [0,2,0,0,0,0|2,0,0]=4 22392 B12R0.233 CN(C)CCCN(C)CCCCO 269982a_100000717598_100000757444 [0,2,0,0,0,0|2,0,0]=4 22393 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,2,0,0,0,0|1,0,1]=4 22394 B12R0.233 COCCCC(C)OCCC(C)O 34a_200011539412_100012276601 [0,2,0,0,0,0|2,0,0]=4 22395 B12R0.233 COCCCC(C)OCCC(C)O 7a_200011539412_100012276601 [0,2,0,0,0,0|2,0,0]=4 22396 B12R0.233 COCCCN(C)CCCC(C)O 2230a_100000224831_200000718107 [0,2,0,0,0,0|2,0,0]=4 22397 B12R0.233 COCCCN(C)CCCC(C)O 269982a_100000224831_200000718107 [0,2,0,0,0,0|2,0,0]=4 22398 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,2,0,0,0,0|1,0,1]=4 22399 B12R0.233 CSCCCC(C)NCCC(C)O 270004a_200000755665_100011399439 [0,2,0,0,0,0|2,0,0]=4 22400 B12R0.233 C[C@@H](O)COC[C@@H](N)CCCCN 34a_100016993712_100009817552 [0,2,0,0,0,0|2,0,0]=4 22401 B12R0.634 CCCCCS(=O)(=O)NCCCO 270084a_100000182051_100000753860 [0,2,0,0,0,0|2,0,0]=4 22402 B12R0.634 CCCCCS(=O)(=O)NCCCO 274078a_100000182051_100000753860 [0,2,0,0,0,0|2,0,0]=4 22403 B12R0.119 CC(C)(C)CCNCCCCCF 2230a_100000738805_100000729378 [0,2,0,0,0,0|2,0,0]=4 22404 B12R0.119 CC(C)(C)CCNCCCCCO 2230a_100000738805_100000746330 [0,2,0,0,0,0|1,0,0]=3 22405 B12R0.119 CC(C)(C)CCNCCCCCO 2230a_100000762737_100000755188 [0,2,0,0,0,0|1,0,0]=3 22406 B12R0.119 CC(C)(C)CCNCCCCCO 34a_100000762737_100000755188 [0,2,0,0,0,0|1,0,0]=3 22407 B12R0.119 CC(C)(C)CCNCCOCCO 2230a_100000211614_100000755188 [0,2,0,0,0,0|2,0,0]=4 22408 B12R0.119 CC(C)(C)CCNCCOCCO 2230a_100000738805_100011215305 [0,2,0,0,0,0|2,0,0]=4 22409 B12R0.119 CC(C)(C)CCNCCOCCO 34a_100000211614_100000755188 [0,2,0,0,0,0|2,0,0]=4 22410 B12R0.119 CC(C)(C)CCNCCSCCO 2230a_100011219999_100000755188 [0,2,0,0,0,0|2,0,0]=4 22411 B12R0.119 CC(C)(C)CCOCCCCCBr 34a_100000746331_100000755188 [0,2,0,0,0,0|2,0,0]=4 22412 B12R0.119 CC(C)(C)CCOCCCCCBr 7a_100000746331_100000755188 [0,2,0,0,0,0|2,0,0]=4 22413 B12R0.119 CC(C)(C)CCOCCCCCCl 34a_100000746330_100000755188 [0,2,0,0,0,0|2,0,0]=4 22414 B12R0.119 CC(C)(C)CCOCCCCCCl 7a_100000746330_100000755188 [0,2,0,0,0,0|2,0,0]=4 22415 B12R0.119 CC(C)(C)CCOCCCCCF 7a_100000765024_100000729378 [0,2,0,0,0,0|2,0,0]=4 22416 B12R0.119 CC(C)(C)CCOCCCCCI 34a_200012148887_100000755188 [0,2,0,0,0,0|2,0,0]=4 22417 B12R0.119 CC(C)(C)CCOCCCCCI 7a_200012148887_100000755188 [0,2,0,0,0,0|2,0,0]=4 22418 B12R0.119 CC(C)(C)CCOCCCCCN 34a_100000762737_100000755188 [0,2,0,0,0,0|2,0,0]=4 22419 B12R0.119 CC(C)(C)CCOCCCCCO 7a_100000765024_100000746330 [0,2,0,0,0,0|1,0,0]=3 22420 B12R0.119 CC(C)(C)CCOCCOCCO 7a_100000765024_100011215305 [0,2,0,0,0,0|2,0,0]=4 22421 B12R0.119 CC(C)(C)CCSCCCCCF 62a_100000729378_100000755188 [0,2,0,0,0,0|2,0,0]=4 22422 B12R0.119 CC(C)(C)CCSCCCCCF 62a_100000755188_100000729378 [0,2,0,0,0,0|2,0,0]=4 22423 B12R0.119 CC(C)(C)CCSCCCCCO 62a_100000746330_100000755188 [0,2,0,0,0,0|1,0,0]=3 22424 B12R0.119 CC(C)(C)CCSCCCCCO 62a_100000755188_100000746330 [0,2,0,0,0,0|1,0,0]=3 22425 B12R0.119 CC(C)(C)CCSCCOCCO 62a_100000755188_100011215305 [0,2,0,0,0,0|2,0,0]=4 22426 B12R0.119 CC(C)(C)CCSCCOCCO 62a_100011215305_100000755188 [0,2,0,0,0,0|2,0,0]=4 22427 B12R0.119 CC(C)(C)CNCCCCCCF 2230a_100000743828_100015922095 [0,2,0,0,0,0|2,0,0]=4 22428 B12R0.119 CC(C)(C)CNCCCCCCO 2230a_100000743828_100000766143 [0,2,0,0,0,0|1,0,0]=3 22429 B12R0.119 CC(C)(C)CNCCCCCCO 270004a_100000686447_100011204126 [0,2,0,0,0,0|1,0,0]=3 22430 B12R0.119 CC(C)(C)CNCCCCCCO 34a_100000686447_100011219605 [0,2,0,0,0,0|1,0,0]=3 22431 B12R0.119 CC(C)(C)COCCCCCCBr 34a_100011215345_100011219605 [0,2,0,0,0,0|2,0,0]=4 22432 B12R0.119 CC(C)(C)COCCCCCCCl 34a_100000766143_100011219605 [0,2,0,0,0,0|2,0,0]=4 22433 B12R0.119 CC(C)(C)COCCCCCCF 34a_100000732779_100011219605 [0,2,0,0,0,0|2,0,0]=4 22434 B12R0.119 CC(C)(C)COCCCCCCN 34a_100000686447_100011219605 [0,2,0,0,0,0|2,0,0]=4 22435 B12R0.119 CC(C)(C)CSCCCCCCF 62a_100011219605_100015922095 [0,2,0,0,0,0|2,0,0]=4 22436 B12R0.119 CC(C)(C)CSCCCCCCF 62a_100015922095_100011219605 [0,2,0,0,0,0|2,0,0]=4 22437 B12R0.119 CC(C)(C)CSCCCCCCO 62a_100000766143_100011219605 [0,2,0,0,0,0|1,0,0]=3 22438 B12R0.119 CC(C)(C)CSCCCCCCO 62a_100011219605_100000766143 [0,2,0,0,0,0|1,0,0]=3 22439 B12R0.119 CC(C)(C)NCCCCCCCO 2230a_100000715429_100000760002 [0,2,0,0,0,0|1,0,0]=3 22440 B12R0.119 CC(C)(C)NCCCCCCCO 34a_100011996573_100000210625 [0,2,0,0,0,0|1,0,0]=3 22441 B12R0.119 CC(C)(C)NCCCOCCCO 34a_100011310245_100000210625 [0,2,0,0,0,0|2,0,0]=4 22442 B12R0.119 CC(C)(C)OCCCCCCCBr 34a_100000760002_100000210625 [0,2,0,0,0,0|2,0,0]=4 22443 B12R0.119 CC(C)(C)OCCCCCCCN 34a_100011996573_100000210625 [0,2,0,0,0,0|2,0,0]=4 22444 B12R0.119 CC(C)(C)OCCCCCCCO 34a_100015890283_100000760002 [0,2,0,0,0,0|1,0,0]=3 22445 B12R0.119 CC(C)(C)OCCCCCCCO 7a_100015890283_100000760002 [0,2,0,0,0,0|1,0,0]=3 22446 B12R0.119 CC(C)(C)OCCCNCCCO 2230a_100011250582_100000230001 [0,2,0,0,0,0|2,0,0]=4 22447 B12R0.119 CC(C)(C)OCCNCCCCO 2230a_100000747557_100000210776 [0,2,0,0,0,0|2,0,0]=4 22448 B12R0.119 CC(C)(C)OCCOCCCCO 34a_100000693234_100011216708 [0,2,0,0,0,0|2,0,0]=4 22449 B12R0.119 CC(C)(C)OCCOCCCCO 7a_100000693234_100000210776 [0,2,0,0,0,0|2,0,0]=4 22450 B12R0.119 CC(C)(C)SCCCCCCCO 62a_100000211941_100000760002 [0,2,0,0,0,0|1,0,0]=3 22451 B12R0.119 CC(C)(C)SCCCCCCCO 62a_100000760002_100000211941 [0,2,0,0,0,0|1,0,0]=3 22452 B12R0.119 CC(C)(C)SCCNCCCCO 2230a_100000689375_100000210776 [0,2,0,0,0,0|2,0,0]=4 22453 B12R0.119 CC(C)(F)CCNCCCCCF 2230a_100016253952_100000729378 [0,2,0,0,0,0|2,0,0]=4 22454 B12R0.119 CC(C)(F)CCNCCCCCO 2230a_100016253952_100000746330 [0,2,0,0,0,0|1,0,0]=3 22455 B12R0.119 CC(C)(F)CCNCCOCCO 2230a_100016253952_100011215305 [0,2,0,0,0,0|2,0,0]=4 22456 B12R0.119 CC(C)(F)CNCCCCCCF 2230a_100020643315_100015922095 [0,2,0,0,0,0|2,0,0]=4 22457 B12R0.119 CC(C)(F)CNCCCCCCO 2230a_100020643315_100000766143 [0,2,0,0,0,0|1,0,0]=3 22458 B12R0.119 CC(C)(F)CNCCCCCCO 34a_100000686447_100011997219 [0,2,0,0,0,0|1,0,0]=3 22459 B12R0.119 CC(C)(F)COCCCCCCBr 34a_100011215345_100011997219 [0,2,0,0,0,0|2,0,0]=4 22460 B12R0.119 CC(C)(F)COCCCCCCCl 34a_100000766143_100011997219 [0,2,0,0,0,0|2,0,0]=4 22461 B12R0.119 CC(C)(F)COCCCCCCF 34a_100000716592_100015922095 [0,2,0,0,0,0|2,0,0]=4 22462 B12R0.119 CC(C)(F)COCCCCCCF 34a_100000732779_100011997219 [0,2,0,0,0,0|2,0,0]=4 22463 B12R0.119 CC(C)(F)COCCCCCCN 34a_100000686447_100011997219 [0,2,0,0,0,0|2,0,0]=4 22464 B12R0.119 CC(C)(F)COCCCCCCO 34a_100000716592_100000766143 [0,2,0,0,0,0|1,0,0]=3 22465 B12R0.119 CC(C)(F)CSCCCCCCF 62a_100011997219_100015922095 [0,2,0,0,0,0|2,0,0]=4 22466 B12R0.119 CC(C)(F)CSCCCCCCF 62a_100015922095_100011997219 [0,2,0,0,0,0|2,0,0]=4 22467 B12R0.119 CC(C)(F)CSCCCCCCO 62a_100000766143_100011997219 [0,2,0,0,0,0|1,0,0]=3 22468 B12R0.119 CC(C)(F)CSCCCCCCO 62a_100011997219_100000766143 [0,2,0,0,0,0|1,0,0]=3 22469 B12R0.119 CC(C)(O)CCCCCNCCF 34a_100000724931_100010402123 [0,2,0,0,0,0|2,0,0]=4 22470 B12R0.119 CC(C)(O)CCCCCNCCO 2230a_100016997473_100010402123 [0,2,0,0,0,0|1,0,0]=3 22471 B12R0.119 CC(C)(O)CCCCCNCCO 34a_100016990907_100010402123 [0,2,0,0,0,0|1,0,0]=3 22472 B12R0.119 CC(C)(O)CCCCCOCCBr 34a_100000211926_100010402123 [0,2,0,0,0,0|2,0,0]=4 22473 B12R0.119 CC(C)(O)CCCCCOCCN 34a_100000210304_100010402123 [0,2,0,0,0,0|2,0,0]=4 22474 B12R0.119 CC(C)(O)CCCCCSCCF 62a_100010402123_100011217306 [0,2,0,0,0,0|2,0,0]=4 22475 B12R0.119 CC(C)(O)CCCCCSCCF 62a_100011217306_100010402123 [0,2,0,0,0,0|2,0,0]=4 22476 B12R0.119 CC(C)(O)CCCCCSCCO 62a_100000211926_100010402123 [0,2,0,0,0,0|1,0,0]=3 22477 B12R0.119 CC(C)(O)CCCCCSCCO 62a_100010402123_100000211926 [0,2,0,0,0,0|1,0,0]=3 22478 B12R0.119 CC(C)(O)CCCNCCCCO 2230a_100000750430_100009888830 [0,2,0,0,0,0|1,0,0]=3 22479 B12R0.119 CC(C)(O)CCCNCCCCO 34a_100000750430_100009888830 [0,2,0,0,0,0|1,0,0]=3 22480 B12R0.119 CC(C)(O)CCCOCCCCBr 34a_100011216708_100009888830 [0,2,0,0,0,0|2,0,0]=4 22481 B12R0.119 CC(C)(O)CCCOCCCCCl 34a_100000210776_100009888830 [0,2,0,0,0,0|2,0,0]=4 22482 B12R0.119 CC(C)(O)CCCOCCCCCl 7a_100000210776_100009888830 [0,2,0,0,0,0|2,0,0]=4 22483 B12R0.119 CC(C)(O)CCCOCCCCF 34a_100011995726_100009888830 [0,2,0,0,0,0|2,0,0]=4 22484 B12R0.119 CC(C)(O)CCCOCCCCF 7a_100011995726_100009888830 [0,2,0,0,0,0|2,0,0]=4 22485 B12R0.119 CC(C)(O)CCCOCCCCI 34a_200012148704_100009888830 [0,2,0,0,0,0|2,0,0]=4 22486 B12R0.119 CC(C)(O)CCCOCCCCN 34a_100000750430_100009888830 [0,2,0,0,0,0|2,0,0]=4 22487 B12R0.119 CC(C)(O)CCCSCCCCF 62a_100000729493_100009888830 [0,2,0,0,0,0|2,0,0]=4 22488 B12R0.119 CC(C)(O)CCCSCCCCF 62a_100009888830_100000729493 [0,2,0,0,0,0|2,0,0]=4 22489 B12R0.119 CC(C)(O)CCCSCCCCO 62a_100000210776_100009888830 [0,2,0,0,0,0|1,0,0]=3 22490 B12R0.119 CC(C)(O)CCCSCCCCO 62a_100009888830_100000210776 [0,2,0,0,0,0|1,0,0]=3 22491 B12R0.119 CC(C)(O)CCNCCCCCO 2230a_100000762737_100000702414 [0,2,0,0,0,0|1,0,0]=3 22492 B12R0.119 CC(C)(O)CCNCCCCCO 34a_100000762737_100000702414 [0,2,0,0,0,0|1,0,0]=3 22493 B12R0.119 CC(C)(O)CCNCCOCCO 2230a_100000211614_100000702414 [0,2,0,0,0,0|2,0,0]=4 22494 B12R0.119 CC(C)(O)CCNCCOCCO 34a_100000211614_100000702414 [0,2,0,0,0,0|2,0,0]=4 22495 B12R0.119 CC(C)(O)CCNCCSCCO 2230a_100011219999_100000702414 [0,2,0,0,0,0|2,0,0]=4 22496 B12R0.119 CC(C)(O)CCOCCCCCBr 34a_100000746331_100000702414 [0,2,0,0,0,0|2,0,0]=4 22497 B12R0.119 CC(C)(O)CCOCCCCCBr 7a_100000746331_100000702414 [0,2,0,0,0,0|2,0,0]=4 22498 B12R0.119 CC(C)(O)CCOCCCCCCl 34a_100000746330_100000702414 [0,2,0,0,0,0|2,0,0]=4 22499 B12R0.119 CC(C)(O)CCOCCCCCCl 7a_100000746330_100000702414 [0,2,0,0,0,0|2,0,0]=4 22500 B12R0.119 CC(C)(O)CCOCCCCCI 34a_200012148887_100000702414 [0,2,0,0,0,0|2,0,0]=4 22501 B12R0.119 CC(C)(O)CCOCCCCCI 7a_200012148887_100000702414 [0,2,0,0,0,0|2,0,0]=4 22502 B12R0.119 CC(C)(O)CCOCCCCCN 34a_100000762737_100000702414 [0,2,0,0,0,0|2,0,0]=4 22503 B12R0.119 CC(C)(O)CCSCCCCCF 62a_100000702414_100000729378 [0,2,0,0,0,0|2,0,0]=4 22504 B12R0.119 CC(C)(O)CCSCCCCCF 62a_100000729378_100000702414 [0,2,0,0,0,0|2,0,0]=4 22505 B12R0.119 CC(C)(O)CCSCCCCCO 62a_100000702414_100000746330 [0,2,0,0,0,0|1,0,0]=3 22506 B12R0.119 CC(C)(O)CCSCCCCCO 62a_100000746330_100000702414 [0,2,0,0,0,0|1,0,0]=3 22507 B12R0.119 CC(C)(O)CCSCCOCCO 62a_100000702414_100011215305 [0,2,0,0,0,0|2,0,0]=4 22508 B12R0.119 CC(C)(O)CCSCCOCCO 62a_100011215305_100000702414 [0,2,0,0,0,0|2,0,0]=4 22509 B12R0.119 CC(C)(O)CNCCCCCCF 2230a_100000751335_100015922095 [0,2,0,0,0,0|2,0,0]=4 22510 B12R0.119 CC(C)(O)CNCCCCCCO 2230a_100000751335_100000766143 [0,2,0,0,0,0|1,0,0]=3 22511 B12R0.119 CC(C)(O)CNCCCCCCO 34a_100000686447_100000764493 [0,2,0,0,0,0|1,0,0]=3 22512 B12R0.119 CC(C)(O)COCCCCCCBr 34a_100011215345_100000764493 [0,2,0,0,0,0|2,0,0]=4 22513 B12R0.119 CC(C)(O)COCCCCCCBr 7a_100011215345_100000764493 [0,2,0,0,0,0|2,0,0]=4 22514 B12R0.119 CC(C)(O)COCCCCCCCl 34a_100000766143_100000764493 [0,2,0,0,0,0|2,0,0]=4 22515 B12R0.119 CC(C)(O)COCCCCCCCl 7a_100000766143_100000764493 [0,2,0,0,0,0|2,0,0]=4 22516 B12R0.119 CC(C)(O)COCCCCCCF 34a_100000732779_100000764493 [0,2,0,0,0,0|2,0,0]=4 22517 B12R0.119 CC(C)(O)COCCCCCCF 7a_100000732779_100000764493 [0,2,0,0,0,0|2,0,0]=4 22518 B12R0.119 CC(C)(O)COCCCCCCN 34a_100000686447_100000764493 [0,2,0,0,0,0|2,0,0]=4 22519 B12R0.119 CC(C)(O)CSCCCCCCF 62a_100000764493_100015922095 [0,2,0,0,0,0|2,0,0]=4 22520 B12R0.119 CC(C)(O)CSCCCCCCF 62a_100015922095_100000764493 [0,2,0,0,0,0|2,0,0]=4 22521 B12R0.119 CC(C)(O)CSCCCCCCO 62a_100000764493_100000766143 [0,2,0,0,0,0|1,0,0]=3 22522 B12R0.119 CC(C)(O)CSCCCCCCO 62a_100000766143_100000764493 [0,2,0,0,0,0|1,0,0]=3 22523 B12R0.119 CC(F)(F)COCCCCCCF 34a_100000068830_100015922095 [0,2,0,0,0,0|2,0,0]=4 22524 B12R0.119 CC(F)(F)COCCCCCCO 34a_100000068830_100000766143 [0,2,0,0,0,0|1,0,0]=3 22525 B12R0.119 CCCCCCCCNC(C)(C)C 2230a_100000715429_100000210759 [0,2,0,0,0,0|2,0,0]=4 22526 B12R0.119 CCCCCCCCNC(C)(C)C 34a_100000229939_100000210625 [0,2,0,0,0,0|2,0,0]=4 22527 B12R0.119 CCCCCCCCNC(F)(F)F 34a_100000229939_200103152311 [0,2,0,0,0,0|2,0,0]=4 22528 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100000210232_100000210625 [0,2,0,0,0,0|2,0,0]=4 22529 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100015890283_100000210759 [0,2,0,0,0,0|2,0,0]=4 22530 B12R0.119 CCCCCCCCOC(C)(C)C 7a_100015890283_100000210759 [0,2,0,0,0,0|2,0,0]=4 22531 B12R0.119 CCCCCCCCOC(F)(F)F 34a_100000210232_200103152311 [0,2,0,0,0,0|2,0,0]=4 22532 B12R0.119 CCCCCCCCOC(F)(F)F 7a_100000210232_200000243211 [0,2,0,0,0,0|2,0,0]=4 22533 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000210759_100000211941 [0,2,0,0,0,0|2,0,0]=4 22534 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000211941_100000210317 [0,2,0,0,0,0|2,0,0]=4 22535 B12R0.119 CCCCCCCCSC(F)(F)F 62a_100000210759_200103152311 [0,2,0,0,0,0|2,0,0]=4 22536 B12R0.119 CCCCCCCCSC(F)(F)F 62a_200000243211_100000210317 [0,2,0,0,0,0|2,0,0]=4 22537 B12R0.119 CCCCCCCNCC(C)(C)C 2230a_100000743828_100000210681 [0,2,0,0,0,0|2,0,0]=4 22538 B12R0.119 CCCCCCCNCC(C)(C)C 270004a_100000229938_100011204126 [0,2,0,0,0,0|2,0,0]=4 22539 B12R0.119 CCCCCCCNCC(C)(C)F 2230a_100020643315_100000210681 [0,2,0,0,0,0|2,0,0]=4 22540 B12R0.119 CCCCCCCNCC(C)(C)O 2230a_100000751335_100000210681 [0,2,0,0,0,0|1,0,0]=3 22541 B12R0.119 CCCCCCCNCC(F)(F)F 2230a_100000229938_100000763148 [0,2,0,0,0,0|2,0,0]=4 22542 B12R0.119 CCCCCCCNCC(F)(F)F 34a_100000717047_100000210614 [0,2,0,0,0,0|2,0,0]=4 22543 B12R0.119 CCCCCCCOCC(C)(C)C 34a_100000210272_100011219605 [0,2,0,0,0,0|2,0,0]=4 22544 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000210272_100011997219 [0,2,0,0,0,0|2,0,0]=4 22545 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000716592_100000210614 [0,2,0,0,0,0|2,0,0]=4 22546 B12R0.119 CCCCCCCOCC(C)(C)O 34a_100000210272_100000764493 [0,2,0,0,0,0|1,0,0]=3 22547 B12R0.119 CCCCCCCOCC(C)(C)O 7a_100000210272_100000764493 [0,2,0,0,0,0|1,0,0]=3 22548 B12R0.119 CCCCCCCOCC(C)(F)F 34a_100000068830_100000210614 [0,2,0,0,0,0|2,0,0]=4 22549 B12R0.119 CCCCCCCOCC(F)(F)Br 34a_100011217949_100000210614 [0,2,0,0,0,0|2,0,0]=4 22550 B12R0.119 CCCCCCCOCC(F)(F)Cl 34a_100000734434_100000210614 [0,2,0,0,0,0|2,0,0]=4 22551 B12R0.119 CCCCCCCOCC(F)(F)F 34a_100000210435_100000210614 [0,2,0,0,0,0|2,0,0]=4 22552 B12R0.119 CCCCCCCSCC(C)(C)C 62a_100000210614_100011219605 [0,2,0,0,0,0|2,0,0]=4 22553 B12R0.119 CCCCCCCSCC(C)(C)C 62a_100011219605_100000210316 [0,2,0,0,0,0|2,0,0]=4 22554 B12R0.119 CCCCCCCSCC(C)(C)F 62a_100000210614_100011997219 [0,2,0,0,0,0|2,0,0]=4 22555 B12R0.119 CCCCCCCSCC(C)(C)F 62a_100011997219_100000210316 [0,2,0,0,0,0|2,0,0]=4 22556 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000210614_100000764493 [0,2,0,0,0,0|1,0,0]=3 22557 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000764493_100000210316 [0,2,0,0,0,0|1,0,0]=3 22558 B12R0.119 CCCCCCCSCC(F)(F)F 62a_100000210614_100000763148 [0,2,0,0,0,0|2,0,0]=4 22559 B12R0.119 CCCCCCCSCC(F)(F)F 62a_100000763148_100000210316 [0,2,0,0,0,0|2,0,0]=4 22560 B12R0.119 CCCCCCNCCC(C)(C)C 2230a_100000210581_100000755188 [0,2,0,0,0,0|2,0,0]=4 22561 B12R0.119 CCCCCCNCCC(C)(C)C 2230a_100000738805_100000210314 [0,2,0,0,0,0|2,0,0]=4 22562 B12R0.119 CCCCCCNCCC(C)(C)F 2230a_100016253952_100000210314 [0,2,0,0,0,0|2,0,0]=4 22563 B12R0.119 CCCCCCNCCC(C)(C)O 2230a_100000210581_100000702414 [0,2,0,0,0,0|1,0,0]=3 22564 B12R0.119 CCCCCCNCCC(F)(F)F 2230a_100000740434_100000210314 [0,2,0,0,0,0|2,0,0]=4 22565 B12R0.119 CCCCCCNCCC(F)(F)F 34a_100000740434_100000210314 [0,2,0,0,0,0|2,0,0]=4 22566 B12R0.119 CCCCCCOCCC(C)(C)C 34a_100000210259_100000755188 [0,2,0,0,0,0|2,0,0]=4 22567 B12R0.119 CCCCCCOCCC(C)(C)C 7a_100000210259_100000755188 [0,2,0,0,0,0|2,0,0]=4 22568 B12R0.119 CCCCCCOCCC(C)(C)C 7a_100000765024_100000210314 [0,2,0,0,0,0|2,0,0]=4 22569 B12R0.119 CCCCCCOCCC(C)(C)O 34a_100000210259_100000702414 [0,2,0,0,0,0|1,0,0]=3 22570 B12R0.119 CCCCCCOCCC(C)(C)O 7a_100000210259_100000702414 [0,2,0,0,0,0|1,0,0]=3 22571 B12R0.119 CCCCCCOCCC(F)(F)F 34a_100000210259_100011219754 [0,2,0,0,0,0|2,0,0]=4 22572 B12R0.119 CCCCCCOCCC(F)(F)F 34a_100000752437_100000210314 [0,2,0,0,0,0|2,0,0]=4 22573 B12R0.119 CCCCCCOCCC(F)(F)F 7a_100000210259_100011219754 [0,2,0,0,0,0|2,0,0]=4 22574 B12R0.119 CCCCCCSCCC(C)(C)C 62a_100000210314_100000755188 [0,2,0,0,0,0|2,0,0]=4 22575 B12R0.119 CCCCCCSCCC(C)(C)C 62a_100000755188_100000210757 [0,2,0,0,0,0|2,0,0]=4 22576 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000210314_100000702414 [0,2,0,0,0,0|1,0,0]=3 22577 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000702414_100000210757 [0,2,0,0,0,0|1,0,0]=3 22578 B12R0.119 CCCCCCSCCC(F)(F)F 62a_100000210314_100011219754 [0,2,0,0,0,0|2,0,0]=4 22579 B12R0.119 CCCCCCSCCC(F)(F)F 62a_100011219754_100000210757 [0,2,0,0,0,0|2,0,0]=4 22580 B12R0.119 CCCCCNCCCC(C)(C)O 2230a_100000209983_100009888830 [0,2,0,0,0,0|1,0,0]=3 22581 B12R0.119 CCCCCNCCCC(F)(F)F 2230a_100000209983_100011215983 [0,2,0,0,0,0|2,0,0]=4 22582 B12R0.119 CCCCCNCCCC(F)(F)F 2230a_100000727188_100000210326 [0,2,0,0,0,0|2,0,0]=4 22583 B12R0.119 CCCCCNCCCC(F)(F)F 34a_100000727188_100000718602 [0,2,0,0,0,0|2,0,0]=4 22584 B12R0.119 CCCCCOCCCC(C)(C)O 34a_100000210253_100009888830 [0,2,0,0,0,0|1,0,0]=3 22585 B12R0.119 CCCCCOCCCC(C)(C)O 7a_100000210253_100009888830 [0,2,0,0,0,0|1,0,0]=3 22586 B12R0.119 CCCCCOCCCC(F)(F)F 34a_100000210253_100011215983 [0,2,0,0,0,0|2,0,0]=4 22587 B12R0.119 CCCCCOCCCC(F)(F)F 34a_100000749235_100000718602 [0,2,0,0,0,0|2,0,0]=4 22588 B12R0.119 CCCCCOCCCC(F)(F)F 7a_100000210253_100011216173 [0,2,0,0,0,0|2,0,0]=4 22589 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100000210326_100009888830 [0,2,0,0,0,0|1,0,0]=3 22590 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100009888830_100000210326 [0,2,0,0,0,0|1,0,0]=3 22591 B12R0.119 CCCCCSCCCC(F)(F)F 62a_100000210326_100011216173 [0,2,0,0,0,0|2,0,0]=4 22592 B12R0.119 CCCCCSCCCC(F)(F)F 62a_100011216173_100000210326 [0,2,0,0,0,0|2,0,0]=4 22593 B12R0.119 CCCCNCCCCC(F)(F)F 2230a_100000102301_100000692467 [0,2,0,0,0,0|2,0,0]=4 22594 B12R0.119 CCCCNCCCCC(F)(F)F 7a_106832991798_100000692467 [0,2,0,0,0,0|2,0,0]=4 22595 B12R0.119 CCCCOCCCCC(F)(F)F 34a_100000210227_100000692467 [0,2,0,0,0,0|2,0,0]=4 22596 B12R0.119 CCCCOCCCCC(F)(F)F 34a_100000749236_100000210210 [0,2,0,0,0,0|2,0,0]=4 22597 B12R0.119 CCCCOCCCCC(F)(F)F 7a_100000210227_100000692467 [0,2,0,0,0,0|2,0,0]=4 22598 B12R0.119 CCCCOCCCCC(F)(F)F 7a_100000749236_100000210211 [0,2,0,0,0,0|2,0,0]=4 22599 B12R0.119 CCCCOCCNCC(C)(C)O 2230a_100000751335_100000743108 [0,2,0,0,0,0|2,0,0]=4 22600 B12R0.119 CCCCOCCOCC(C)(C)O 34a_100000210238_100000764493 [0,2,0,0,0,0|2,0,0]=4 22601 B12R0.119 CCCCOCCOCC(C)(C)O 7a_100000210238_100000764493 [0,2,0,0,0,0|2,0,0]=4 22602 B12R0.119 CCCCOCCSCC(C)(C)O 62a_100000743108_100000764493 [0,2,0,0,0,0|2,0,0]=4 22603 B12R0.119 CCCCOCCSCC(C)(C)O 62a_100000764493_100000743108 [0,2,0,0,0,0|2,0,0]=4 22604 B12R0.119 CCCCOCSCCC(C)(C)O 62a_100000702414_100011995733 [0,2,0,0,0,0|2,0,0]=4 22605 B12R0.119 CCCCOCSCCC(C)(C)O 62a_100011995733_100000702414 [0,2,0,0,0,0|2,0,0]=4 22606 B12R0.119 CCCCSCCCCC(F)(F)F 62a_100000210211_100000692467 [0,2,0,0,0,0|2,0,0]=4 22607 B12R0.119 CCCCSCCCCC(F)(F)F 62a_100000692467_100000210210 [0,2,0,0,0,0|2,0,0]=4 22608 B12R0.119 CCCCSCCOCC(C)(C)O 34a_200000230436_100000764493 [0,2,0,0,0,0|2,0,0]=4 22609 B12R0.119 CCCCSCCOCC(C)(C)O 7a_200000230436_100000764493 [0,2,0,0,0,0|2,0,0]=4 22610 B12R0.119 CCCOCCCCCC(C)(C)O 34a_100000210258_100010402123 [0,2,0,0,0,0|1,0,0]=3 22611 B12R0.119 CCCOCCCCCC(F)(F)F 34a_100000210258_100010187589 [0,2,0,0,0,0|2,0,0]=4 22612 B12R0.119 CCCOCCCNCC(C)(C)O 34a_100011217757_100000764493 [0,2,0,0,0,0|2,0,0]=4 22613 B12R0.119 CCCOCCNCCC(C)(C)O 2230a_100161115042_100000702414 [0,2,0,0,0,0|2,0,0]=4 22614 B12R0.119 CCCOCCNCCC(C)(C)O 34a_100161115042_100000702414 [0,2,0,0,0,0|2,0,0]=4 22615 B12R0.119 CCCOCCOCCC(C)(C)O 34a_100000752267_100000702414 [0,2,0,0,0,0|2,0,0]=4 22616 B12R0.119 CCCOCCOCCC(C)(C)O 7a_100000752267_100000702414 [0,2,0,0,0,0|2,0,0]=4 22617 B12R0.119 CCCOCCSCCC(C)(C)O 62a_100000702414_100011215938 [0,2,0,0,0,0|2,0,0]=4 22618 B12R0.119 CCCOCCSCCC(C)(C)O 62a_100011215938_100000702414 [0,2,0,0,0,0|2,0,0]=4 22619 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100000210303_100010402123 [0,2,0,0,0,0|1,0,0]=3 22620 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100010402123_100000210303 [0,2,0,0,0,0|1,0,0]=3 22621 B12R0.119 CCCSCCCCCC(F)(F)F 62a_100000210303_100010187589 [0,2,0,0,0,0|2,0,0]=4 22622 B12R0.119 CCCSCCCCCC(F)(F)F 62a_100010187589_100000210303 [0,2,0,0,0,0|2,0,0]=4 22623 B12R0.119 CCCSCCNCCC(C)(C)O 2230a_100020603323_100000702414 [0,2,0,0,0,0|2,0,0]=4 22624 B12R0.119 CCCSCCOCCC(C)(C)O 34a_200000230433_100000702414 [0,2,0,0,0,0|2,0,0]=4 22625 B12R0.119 CCCSCCOCCC(C)(C)O 7a_200000230433_100000702414 [0,2,0,0,0,0|2,0,0]=4 22626 B12R0.119 CCOCCCNCCC(C)(C)O 2230a_100000210961_100000702414 [0,2,0,0,0,0|2,0,0]=4 22627 B12R0.119 CCOCCCNCCC(C)(C)O 34a_100000210961_100000702414 [0,2,0,0,0,0|2,0,0]=4 22628 B12R0.119 CCOCCCOCCC(C)(C)O 34a_100000757476_100000702414 [0,2,0,0,0,0|2,0,0]=4 22629 B12R0.119 CCOCCCOCCC(C)(C)O 7a_100000757476_100000702414 [0,2,0,0,0,0|2,0,0]=4 22630 B12R0.119 CCOCCCSCCC(C)(C)O 62a_100000702414_100012232248 [0,2,0,0,0,0|2,0,0]=4 22631 B12R0.119 CCOCCCSCCC(C)(C)O 62a_100012232248_100000702414 [0,2,0,0,0,0|2,0,0]=4 22632 B12R0.119 CCOCCNCCCC(C)(C)O 2230a_102516460346_100009888830 [0,2,0,0,0,0|2,0,0]=4 22633 B12R0.119 CCOCCNCCCC(C)(C)O 34a_102516460346_100009888830 [0,2,0,0,0,0|2,0,0]=4 22634 B12R0.119 CCOCCOCCCC(C)(C)O 34a_100000210136_100009888830 [0,2,0,0,0,0|2,0,0]=4 22635 B12R0.119 CCOCCOCCCC(C)(C)O 7a_100000210136_100009888830 [0,2,0,0,0,0|2,0,0]=4 22636 B12R0.119 CCOCCSCCCC(C)(C)O 62a_100000210147_100009888830 [0,2,0,0,0,0|2,0,0]=4 22637 B12R0.119 CCOCCSCCCC(C)(C)O 62a_100009888830_100011215890 [0,2,0,0,0,0|2,0,0]=4 22638 B12R0.119 CCSCCCOCCC(C)(C)O 34a_100011216438_100000702414 [0,2,0,0,0,0|2,0,0]=4 22639 B12R0.119 CCSCCCOCCC(C)(C)O 7a_100011216438_100000702414 [0,2,0,0,0,0|2,0,0]=4 22640 B12R0.119 CCSCCNCCCC(C)(C)O 2230a_100000106463_100009888830 [0,2,0,0,0,0|2,0,0]=4 22641 B12R0.119 CCSCCOCCCC(C)(C)O 34a_100000212035_100009888830 [0,2,0,0,0,0|2,0,0]=4 22642 B12R0.119 CCSCCOCCCC(C)(C)O 7a_100000212035_100009888830 [0,2,0,0,0,0|2,0,0]=4 22643 B12R0.119 CCSCCSCCCC(C)(C)O 62a_100000757381_100009888830 [0,2,0,0,0,0|2,0,0]=4 22644 B12R0.119 CCSCCSCCCC(C)(C)O 62a_100009888830_100000757381 [0,2,0,0,0,0|2,0,0]=4 22645 B12R0.119 CNCCCCCOCC(C)(C)O 34a_100000722520_100000764493 [0,2,0,0,0,0|2,0,0]=4 22646 B12R0.119 CNCCCOCCCC(C)(C)O 34a_100000213112_100009888830 [0,2,0,0,0,0|2,0,0]=4 22647 B12R0.119 COCCCCCNCC(C)(C)O 34a_100000747528_100000764493 [0,2,0,0,0,0|2,0,0]=4 22648 B12R0.119 COCCCCOCCC(C)(C)O 34a_100000740925_100000702414 [0,2,0,0,0,0|2,0,0]=4 22649 B12R0.119 COCCCCSCCC(C)(C)O 62a_100000702414_100000730899 [0,2,0,0,0,0|2,0,0]=4 22650 B12R0.119 COCCCCSCCC(C)(C)O 62a_100000730899_100000702414 [0,2,0,0,0,0|2,0,0]=4 22651 B12R0.119 COCCCNCCCC(C)(C)O 34a_100150723488_100009888830 [0,2,0,0,0,0|2,0,0]=4 22652 B12R0.119 COCCCOCCCC(C)(C)O 34a_100000740835_100009888830 [0,2,0,0,0,0|2,0,0]=4 22653 B12R0.119 COCCCSCCCC(C)(C)O 62a_100000709357_100009888830 [0,2,0,0,0,0|2,0,0]=4 22654 B12R0.119 COCCCSCCCC(C)(C)O 62a_100009888830_100000709357 [0,2,0,0,0,0|2,0,0]=4 22655 B12R0.119 COCSCCCCCC(C)(C)O 62a_100000766300_100010402123 [0,2,0,0,0,0|2,0,0]=4 22656 B12R0.119 COCSCCCCCC(C)(C)O 62a_100010402123_100000766300 [0,2,0,0,0,0|2,0,0]=4 22657 B12R0.119 CS(=O)(=O)CCCNCCCCO 2230a_100000742409_100000210776 [0,2,0,0,0,0|2,0,0]=4 22658 B12R0.119 CS(=O)(=O)CCCNCCCCO 2230a_100000750430_100000754308 [0,2,0,0,0,0|2,0,0]=4 22659 B12R0.119 CS(=O)(=O)CCCNCCCCO 34a_100000742409_100011216708 [0,2,0,0,0,0|2,0,0]=4 22660 B12R0.119 CS(=O)(=O)CCCNCCCCO 34a_100000750430_100000754308 [0,2,0,0,0,0|2,0,0]=4 22661 B12R0.119 CS(=O)(=O)CCCOCCCCO 34a_100000689940_100011216708 [0,2,0,0,0,0|2,0,0]=4 22662 B12R0.119 CS(=O)(=O)CCCOCCCCO 7a_100000689940_100000210776 [0,2,0,0,0,0|2,0,0]=4 22663 B12R0.119 CS(=O)(=O)CCCSCCCCO 62a_100000210776_100000754308 [0,2,0,0,0,0|2,0,0]=4 22664 B12R0.119 CS(=O)(=O)CCCSCCCCO 62a_100000754308_100000210776 [0,2,0,0,0,0|2,0,0]=4 22665 B12R0.119 CS(=O)(=O)CCNCCCCCO 2230a_100000740961_100000746330 [0,2,0,0,0,0|2,0,0]=4 22666 B12R0.119 CS(=O)(=O)CCNCCCCCO 2230a_100000762737_100000731031 [0,2,0,0,0,0|2,0,0]=4 22667 B12R0.119 CS(=O)(=O)CCNCCCCCO 34a_100000740961_100000746330 [0,2,0,0,0,0|2,0,0]=4 22668 B12R0.119 CS(=O)(=O)CCNCCCCCO 34a_100000762737_100000731031 [0,2,0,0,0,0|2,0,0]=4 22669 B12R0.119 CS(=O)(=O)CCOCCCCCO 34a_100000211924_100000746330 [0,2,0,0,0,0|2,0,0]=4 22670 B12R0.119 CS(=O)(=O)CCOCCCCCO 7a_100000211924_100000746330 [0,2,0,0,0,0|2,0,0]=4 22671 B12R0.119 CS(=O)(=O)CCSCCCCCO 62a_100000731031_100000746330 [0,2,0,0,0,0|2,0,0]=4 22672 B12R0.119 CS(=O)(=O)CCSCCCCCO 62a_100000746330_100000230027 [0,2,0,0,0,0|2,0,0]=4 22673 B12R0.119 CS(=O)(=O)NCCCCCCCO 40a_100011996573_100000738038 [0,2,0,0,0,0|2,0,0]=4 22674 B12R0.119 CSCCCCOCCC(C)(C)O 34a_100011217163_100000702414 [0,2,0,0,0,0|2,0,0]=4 22675 B12R0.119 CSCCCCOCCC(C)(C)O 7a_100011217163_100000702414 [0,2,0,0,0,0|2,0,0]=4 22676 B12R0.119 CSCCCNCCCC(C)(C)O 2230a_100000749238_100009888830 [0,2,0,0,0,0|2,0,0]=4 22677 B12R0.119 CSCCCOCCCC(C)(C)O 34a_100000690336_100009888830 [0,2,0,0,0,0|2,0,0]=4 22678 B12R0.119 CSCCCOCCCC(C)(C)O 7a_100000690336_100009888830 [0,2,0,0,0,0|2,0,0]=4 22679 B12R0.119 CSCSCCCCCC(C)(C)O 62a_100010402123_100011218213 [0,2,0,0,0,0|2,0,0]=4 22680 B12R0.119 CSCSCCCCCC(C)(C)O 62a_100011218213_100010402123 [0,2,0,0,0,0|2,0,0]=4 22681 B12R0.119 C[N+](C)(C)CCCCCNCCO 2230a_100016997473_100009813293 [0,2,0,0,0,0|2,0,0]=4 22682 B12R0.119 C[N+](C)(C)CCCCCNCCO 34a_100016990907_100009813293 [0,2,0,0,0,0|2,0,0]=4 22683 B12R0.119 C[N+](C)(C)CCCCCSCCO 62a_100000211926_100009813293 [0,2,0,0,0,0|2,0,0]=4 22684 B12R0.119 C[N+](C)(C)CCCCCSCCO 62a_100009813293_100000211926 [0,2,0,0,0,0|2,0,0]=4 22685 B12R0.119 C[N+](C)(C)CCCNCCCCO 2230a_100000750430_100016990835 [0,2,0,0,0,0|2,0,0]=4 22686 B12R0.119 C[N+](C)(C)CCCNCCCCO 34a_100000750430_100016990835 [0,2,0,0,0,0|2,0,0]=4 22687 B12R0.119 C[N+](C)(C)CCCSCCCCO 62a_100000210776_100016990835 [0,2,0,0,0,0|2,0,0]=4 22688 B12R0.119 C[N+](C)(C)CCCSCCCCO 62a_100016990835_100000210776 [0,2,0,0,0,0|2,0,0]=4 22689 B12R0.119 C[N+](C)(C)CCNCCCCCO 34a_100000762737_100000085578 [0,2,0,0,0,0|2,0,0]=4 22690 B12R0.119 C[N+](C)(C)CCOCCCCCO 7a_200020618287_100000746330 [0,2,0,0,0,0|2,0,0]=4 22691 B12R0.119 C[N+](C)(C)CCSCCCCCO 62a_100000085578_100000746330 [0,2,0,0,0,0|2,0,0]=4 22692 B12R0.119 C[N+](C)(C)CCSCCCCCO 62a_100000746330_100000085578 [0,2,0,0,0,0|2,0,0]=4 22693 B12R0.119 C[N+](C)(C)CSCCCCCCO 62a_100000766143_200000036245 [0,2,0,0,0,0|2,0,0]=4 22694 B12R0.119 C[N+](C)(C)CSCCCCCCO 62a_200000036245_100000766143 [0,2,0,0,0,0|2,0,0]=4 22695 B12R0.119 C[Si](C)(C)CCCCOCCCO 7a_200009881916_100011215043 [0,2,0,0,0,0|1,1,0]=4 22696 B12R0.119 C[Si](C)(C)CCCNCCCCO 2230a_100000750430_100011219597 [0,2,0,0,0,0|1,1,0]=4 22697 B12R0.119 C[Si](C)(C)CCCNCCCCO 34a_100000750430_100011219597 [0,2,0,0,0,0|1,1,0]=4 22698 B12R0.119 C[Si](C)(C)CCCOCCCCO 7a_200011215415_100000210776 [0,2,0,0,0,0|1,1,0]=4 22699 B12R0.119 C[Si](C)(C)CCCSCCCCO 62a_100000210776_100011219597 [0,2,0,0,0,0|1,1,0]=4 22700 B12R0.119 C[Si](C)(C)CCCSCCCCO 62a_100011219597_100000210776 [0,2,0,0,0,0|1,1,0]=4 22701 B12R0.119 C[Si](C)(C)CCNCCCCCO 2230a_100000762737_200000733723 [0,2,0,0,0,0|1,1,0]=4 22702 B12R0.119 C[Si](C)(C)CCNCCCCCO 34a_100000762737_200000733723 [0,2,0,0,0,0|1,1,0]=4 22703 B12R0.119 C[Si](C)(C)CCOCCCCCO 7a_100000039746_100000746330 [0,2,0,0,0,0|1,1,0]=4 22704 B12R0.119 C[Si](C)(C)CCSCCCCCO 62a_100000746330_200000733723 [0,2,0,0,0,0|1,1,0]=4 22705 B12R0.119 C[Si](C)(C)CCSCCCCCO 62a_200000733723_100000746330 [0,2,0,0,0,0|1,1,0]=4 22706 B12R0.119 C[Si](C)(C)CNCCCCCCO 2230a_100000686447_100000037933 [0,2,0,0,0,0|1,1,0]=4 22707 B12R0.119 C[Si](C)(C)CSCCCCCCO 62a_100000037933_100000766143 [0,2,0,0,0,0|1,1,0]=4 22708 B12R0.119 C[Si](C)(C)CSCCCCCCO 62a_100000766143_100000037933 [0,2,0,0,0,0|1,1,0]=4 22709 B12R0.119 OCCCCCCCNC(F)(F)F 34a_100011996573_200103152311 [0,2,0,0,0,0|2,0,0]=4 22710 B12R0.119 OCCCCCCCSC(F)(F)F 62a_100000760002_200103152311 [0,2,0,0,0,0|2,0,0]=4 22711 B12R0.119 OCCCCCCCSC(F)(F)F 62a_200000243211_100000760002 [0,2,0,0,0,0|2,0,0]=4 22712 B12R0.119 OCCCCCCNCC(F)(F)F 2230a_100000686447_100000763148 [0,2,0,0,0,0|2,0,0]=4 22713 B12R0.119 OCCCCCCNCC(F)(F)F 34a_100000717047_100000766143 [0,2,0,0,0,0|2,0,0]=4 22714 B12R0.119 OCCCCCCOCC(F)(F)Br 34a_100011217949_100000766143 [0,2,0,0,0,0|2,0,0]=4 22715 B12R0.119 OCCCCCCOCC(F)(F)Cl 34a_100000734434_100000766143 [0,2,0,0,0,0|2,0,0]=4 22716 B12R0.119 OCCCCCCOCC(F)(F)F 34a_100000210435_100000766143 [0,2,0,0,0,0|2,0,0]=4 22717 B12R0.119 OCCCCCCSCC(F)(F)F 62a_100000763148_100000766143 [0,2,0,0,0,0|2,0,0]=4 22718 B12R0.119 OCCCCCCSCC(F)(F)F 62a_100000766143_100000763148 [0,2,0,0,0,0|2,0,0]=4 22719 B12R0.119 OCCCCCNCCC(F)(F)F 2230a_100000740434_100000746330 [0,2,0,0,0,0|2,0,0]=4 22720 B12R0.119 OCCCCCNCCC(F)(F)F 34a_100000740434_100000746330 [0,2,0,0,0,0|2,0,0]=4 22721 B12R0.119 OCCCCCNCCC(F)(F)F 34a_100000762737_100011219754 [0,2,0,0,0,0|2,0,0]=4 22722 B12R0.119 OCCCCCOCCC(F)(F)F 34a_100000752437_100000746330 [0,2,0,0,0,0|2,0,0]=4 22723 B12R0.119 OCCCCCSCCC(F)(F)F 62a_100000746330_100011219754 [0,2,0,0,0,0|2,0,0]=4 22724 B12R0.119 OCCCCCSCCC(F)(F)F 62a_100011219754_100000746330 [0,2,0,0,0,0|2,0,0]=4 22725 B12R0.119 OCCCCNCCCC(F)(F)F 2230a_100000727188_100000210776 [0,2,0,0,0,0|2,0,0]=4 22726 B12R0.119 OCCCCNCCCC(F)(F)F 2230a_100000750430_100011215983 [0,2,0,0,0,0|2,0,0]=4 22727 B12R0.119 OCCCCNCCCC(F)(F)F 34a_100000727188_100011216708 [0,2,0,0,0,0|2,0,0]=4 22728 B12R0.119 OCCCCNCCCC(F)(F)F 34a_100000750430_100011215983 [0,2,0,0,0,0|2,0,0]=4 22729 B12R0.119 OCCCCOCCCC(F)(F)F 34a_100000749235_100011216708 [0,2,0,0,0,0|2,0,0]=4 22730 B12R0.119 OCCCCSCCCC(F)(F)F 62a_100000210776_100011216173 [0,2,0,0,0,0|2,0,0]=4 22731 B12R0.119 OCCCCSCCCC(F)(F)F 62a_100011216173_100000210776 [0,2,0,0,0,0|2,0,0]=4 22732 B12R0.119 OCCCOCCCCC(F)(F)F 34a_100000749236_100000230001 [0,2,0,0,0,0|2,0,0]=4 22733 B12R0.119 OCCCOCCCCC(F)(F)F 7a_100000749236_100011215043 [0,2,0,0,0,0|2,0,0]=4 22734 B12R0.119 OCCCSCCCCC(F)(F)F 62a_100000692467_100011215043 [0,2,0,0,0,0|2,0,0]=4 22735 B12R0.119 OCCCSCCCCC(F)(F)F 62a_100011215043_100000692467 [0,2,0,0,0,0|2,0,0]=4 22736 B12R0.119 OCCNCCCCCC(F)(F)F 2230a_100016997473_100010187589 [0,2,0,0,0,0|2,0,0]=4 22737 B12R0.119 OCCNCCCCCC(F)(F)F 34a_100016990907_100010187589 [0,2,0,0,0,0|2,0,0]=4 22738 B12R0.119 OCCSCCCCCC(F)(F)F 62a_100000211926_100010187589 [0,2,0,0,0,0|2,0,0]=4 22739 B12R0.119 OCCSCCCCCC(F)(F)F 62a_100010187589_100000211926 [0,2,0,0,0,0|2,0,0]=4 22740 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,2,0,0,0,0|1,0,1]=4 22741 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,2,0,0,0,0|1,0,1]=4 22742 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,2,0,0,0,0|1,0,1]=4 22743 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,2,0,0,0,0|1,0,1]=4 22744 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,2,0,0,0,0|1,0,1]=4 22745 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,2,0,0,0,0|1,0,1]=4 22746 B12R0.268 CC(Br)CCOCCCCB(O)O 34a_100009893172_200009817182 [0,2,0,0,0,0|2,0,0]=4 22747 B12R0.268 CC(Br)COCCCCCB(O)O 34a_100012180447_200009817188 [0,2,0,0,0,0|2,0,0]=4 22748 B12R0.268 CC(C)CCCCCCNC(C)C 2230a_100000211014_100000210206 [0,2,0,0,0,0|2,0,0]=4 22749 B12R0.268 CC(C)CCCCCCNC(C)C 34a_100000211014_100000210206 [0,2,0,0,0,0|2,0,0]=4 22750 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,2,0,0,0,0|1,0,1]=4 22751 B12R0.268 CC(C)CCCCCNCC(C)C 2230a_100000210953_100000210682 [0,2,0,0,0,0|2,0,0]=4 22752 B12R0.268 CC(C)CCCCCNCC(C)C 2230a_100011290863_100000210760 [0,2,0,0,0,0|2,0,0]=4 22753 B12R0.268 CC(C)CCCCCNCC(C)C 270004a_100011290863_100000210432 [0,2,0,0,0,0|2,0,0]=4 22754 B12R0.268 CC(C)CCCCCNCC(C)C 34a_100000210953_100000210682 [0,2,0,0,0,0|2,0,0]=4 22755 B12R0.268 CC(C)CCCCCNCC(C)C 34a_100011290863_100000210624 [0,2,0,0,0,0|2,0,0]=4 22756 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100000210904_100000210682 [0,2,0,0,0,0|1,0,0]=3 22757 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100011290863_100011218427 [0,2,0,0,0,0|1,0,0]=3 22758 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100000210904_100000210682 [0,2,0,0,0,0|1,0,0]=3 22759 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100011290863_100011218427 [0,2,0,0,0,0|1,0,0]=3 22760 B12R0.268 CC(C)CCCCCNCC(F)F 2230a_100011290863_100011934356 [0,2,0,0,0,0|2,0,0]=4 22761 B12R0.268 CC(C)CCCCCNCC(F)F 34a_100000765723_100000210682 [0,2,0,0,0,0|2,0,0]=4 22762 B12R0.268 CC(C)CCCCCNCC(F)F 34a_100011290863_100011934356 [0,2,0,0,0,0|2,0,0]=4 22763 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 2230a_100011290863_100009817552 [0,2,0,0,0,0|1,0,0]=3 22764 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 34a_100011290863_100009817552 [0,2,0,0,0,0|1,0,0]=3 22765 B12R0.268 CC(C)CCCCCOCC(C)Br 34a_100012180447_100000210682 [0,2,0,0,0,0|2,0,0]=4 22766 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100000210257_100000210682 [0,2,0,0,0,0|2,0,0]=4 22767 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100011995859_100000210624 [0,2,0,0,0,0|2,0,0]=4 22768 B12R0.268 CC(C)CCCCCOCC(C)C 7a_100011995859_100000210760 [0,2,0,0,0,0|2,0,0]=4 22769 B12R0.268 CC(C)CCCCCOCC(C)F 34a_100015925927_100000210682 [0,2,0,0,0,0|2,0,0]=4 22770 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [0,2,0,0,0,0|1,0,0]=3 22771 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [0,2,0,0,0,0|1,0,0]=3 22772 B12R0.268 CC(C)CCCCCOCC(F)F 34a_100000743014_100000210682 [0,2,0,0,0,0|2,0,0]=4 22773 B12R0.268 CC(C)CCCCCOCC(F)F 34a_100011995859_100011934356 [0,2,0,0,0,0|2,0,0]=4 22774 B12R0.268 CC(C)CCCCCOCC(F)F 7a_100011995859_100011934356 [0,2,0,0,0,0|2,0,0]=4 22775 B12R0.268 CC(C)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000210682 [0,2,0,0,0,0|2,0,0]=4 22776 B12R0.268 CC(C)CCCCCOC[C@@H](C)N 34a_100000737577_100000210682 [0,2,0,0,0,0|2,0,0]=4 22777 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [0,2,0,0,0,0|1,0,0]=3 22778 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [0,2,0,0,0,0|1,0,0]=3 22779 B12R0.268 CC(C)CCCCCSCC(C)C 62a_100000210624_100000210682 [0,2,0,0,0,0|2,0,0]=4 22780 B12R0.268 CC(C)CCCCCSCC(C)C 62a_100000210682_100000210760 [0,2,0,0,0,0|2,0,0]=4 22781 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100000210682_100011218427 [0,2,0,0,0,0|1,0,0]=3 22782 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100011218427_100000210682 [0,2,0,0,0,0|1,0,0]=3 22783 B12R0.268 CC(C)CCCCCSCC(F)F 62a_100000210682_100011934356 [0,2,0,0,0,0|2,0,0]=4 22784 B12R0.268 CC(C)CCCCCSCC(F)F 62a_100011934356_100000210682 [0,2,0,0,0,0|2,0,0]=4 22785 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100000210682_100009817552 [0,2,0,0,0,0|1,0,0]=3 22786 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100009817552_100000210682 [0,2,0,0,0,0|1,0,0]=3 22787 B12R0.268 CC(C)CCCCNCCC(C)O 2230a_200000755665_100011216152 [0,2,0,0,0,0|1,0,0]=3 22788 B12R0.268 CC(C)CCCCOCCC(C)Br 34a_100009893172_100011216152 [0,2,0,0,0,0|2,0,0]=4 22789 B12R0.268 CC(C)CCCCOCCC(C)C 34a_100000210254_100011216152 [0,2,0,0,0,0|2,0,0]=4 22790 B12R0.268 CC(C)CCCCOCCC(C)C 34a_100011214890_100000210312 [0,2,0,0,0,0|2,0,0]=4 22791 B12R0.268 CC(C)CCCCOCCC(C)C 7a_100000210254_100011216152 [0,2,0,0,0,0|2,0,0]=4 22792 B12R0.268 CC(C)CCCCOCCC(C)C 7a_100011214890_100000210626 [0,2,0,0,0,0|2,0,0]=4 22793 B12R0.268 CC(C)CCCCOCCC(C)O 34a_100011214890_100012276601 [0,2,0,0,0,0|1,0,0]=3 22794 B12R0.268 CC(C)CCCCOCCC(C)O 7a_100011214890_100012276601 [0,2,0,0,0,0|1,0,0]=3 22795 B12R0.268 CC(C)CCCCOCCC(F)F 34a_100103093639_100011216152 [0,2,0,0,0,0|2,0,0]=4 22796 B12R0.268 CC(C)CCCCOCC[C@@H](C)N 34a_100000706166_100011216152 [0,2,0,0,0,0|2,0,0]=4 22797 B12R0.268 CC(C)CCCCSCCC(C)C 62a_100000210312_100011216152 [0,2,0,0,0,0|2,0,0]=4 22798 B12R0.268 CC(C)CCCCSCCC(C)C 62a_100011216152_100000210312 [0,2,0,0,0,0|2,0,0]=4 22799 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100011216152_100012276601 [0,2,0,0,0,0|1,0,0]=3 22800 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100012276601_100011216152 [0,2,0,0,0,0|1,0,0]=3 22801 B12R0.268 CC(C)CCCNCCCC(C)C 2230a_200000737386_100011214892 [0,2,0,0,0,0|2,0,0]=4 22802 B12R0.268 CC(C)CCCNCCCC(C)C 34a_200000737386_100011214892 [0,2,0,0,0,0|2,0,0]=4 22803 B12R0.268 CC(C)CCCNCCCC(C)O 2230a_200000737386_200000718107 [0,2,0,0,0,0|1,0,0]=3 22804 B12R0.268 CC(C)CCCNCCCC(C)O 34a_200000737386_200000718107 [0,2,0,0,0,0|1,0,0]=3 22805 B12R0.268 CC(C)CCCOCCCC(C)C 34a_100000210774_100011214892 [0,2,0,0,0,0|2,0,0]=4 22806 B12R0.268 CC(C)CCCOCCCC(C)C 7a_100000210774_100011214892 [0,2,0,0,0,0|2,0,0]=4 22807 B12R0.268 CC(C)CCCOCCCC(C)O 34a_100000210774_200000718107 [0,2,0,0,0,0|1,0,0]=3 22808 B12R0.268 CC(C)CCCOCCCC(C)O 7a_100000210774_200000718107 [0,2,0,0,0,0|1,0,0]=3 22809 B12R0.268 CC(C)CCCSCCCC(C)C 62a_100011214892_100011214892 [0,2,0,0,0,0|2,0,0]=4 22810 B12R0.268 CC(C)CCCSCCCC(C)O 62a_100011214892_200000718107 [0,2,0,0,0,0|1,0,0]=3 22811 B12R0.268 CC(C)CCCSCCCC(C)O 62a_200000718107_100011214892 [0,2,0,0,0,0|1,0,0]=3 22812 B12R0.268 CC(C)CCOCCCCB(O)O 34a_100000210254_200009817182 [0,2,0,0,0,0|2,0,0]=4 22813 B12R0.268 CC(C)CCOCCCCB(O)O 7a_100000210254_200009817182 [0,2,0,0,0,0|2,0,0]=4 22814 B12R0.268 CC(C)CCSCCCCB(O)O 62a_100000210312_200009817182 [0,2,0,0,0,0|2,0,0]=4 22815 B12R0.268 CC(C)CCSCCCCB(O)O 62a_200009817182_100000210312 [0,2,0,0,0,0|2,0,0]=4 22816 B12R0.268 CC(C)CNCCCCCB(O)O 2230a_100000210953_200009817188 [0,2,0,0,0,0|2,0,0]=4 22817 B12R0.268 CC(C)CNCCCCCB(O)O 34a_100000210953_200009817188 [0,2,0,0,0,0|2,0,0]=4 22818 B12R0.268 CC(C)CNCCOCCC(C)O 34a_100015185251_100012276601 [0,2,0,0,0,0|2,0,0]=4 22819 B12R0.268 CC(C)COCCCCCB(O)O 34a_100000210257_200009817188 [0,2,0,0,0,0|2,0,0]=4 22820 B12R0.268 CC(C)COCCCNCC(C)O 2230a_100000205972_100011218427 [0,2,0,0,0,0|2,0,0]=4 22821 B12R0.268 CC(C)COCCCNCC(C)O 34a_100000205972_100011218427 [0,2,0,0,0,0|2,0,0]=4 22822 B12R0.268 CC(C)COCCCNC[C@@H](C)O 2230a_100000205972_100009817552 [0,2,0,0,0,0|2,0,0]=4 22823 B12R0.268 CC(C)COCCCNC[C@@H](C)O 34a_100000205972_100009817552 [0,2,0,0,0,0|2,0,0]=4 22824 B12R0.268 CC(C)COCCOCCC(C)O 34a_100000703358_100012276601 [0,2,0,0,0,0|2,0,0]=4 22825 B12R0.268 CC(C)COCCOCCC(C)O 7a_100000703358_100012276601 [0,2,0,0,0,0|2,0,0]=4 22826 B12R0.268 CC(C)CSCCCCCB(O)O 62a_100000210624_200009817188 [0,2,0,0,0,0|2,0,0]=4 22827 B12R0.268 CC(C)CSCCCCCB(O)O 62a_200009817188_100000210760 [0,2,0,0,0,0|2,0,0]=4 22828 B12R0.268 CC(C)CSCCOCCC(C)O 34a_200000230437_100012276601 [0,2,0,0,0,0|2,0,0]=4 22829 B12R0.268 CC(C)CSCCOCCC(C)O 7a_200000230437_100012276601 [0,2,0,0,0,0|2,0,0]=4 22830 B12R0.268 CC(C)NCCCCCCB(O)O 2230a_100138425928_100009817187 [0,2,0,0,0,0|2,0,0]=4 22831 B12R0.268 CC(C)NCCCCCCB(O)O 34a_100138425928_100009817187 [0,2,0,0,0,0|2,0,0]=4 22832 B12R0.268 CC(C)NCCCCOC[C@@H](C)O 34a_100011521146_100009817552 [0,2,0,0,0,0|2,0,0]=4 22833 B12R0.268 CC(C)OCCCCCCB(O)O 34a_100000212225_100009817187 [0,2,0,0,0,0|2,0,0]=4 22834 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100000210206_100009817187 [0,2,0,0,0,0|2,0,0]=4 22835 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100009817187_100000210206 [0,2,0,0,0,0|2,0,0]=4 22836 B12R0.268 CC(F)COCCCCCB(O)O 34a_100015925927_200009817188 [0,2,0,0,0,0|2,0,0]=4 22837 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,2,0,0,0,0|2,0,0]=4 22838 B12R0.268 CC(O)CCCNCCOC(C)C 2230a_100000701111_200000718107 [0,2,0,0,0,0|2,0,0]=4 22839 B12R0.268 CC(O)CCCNCCOC(C)C 34a_100000701111_200000718107 [0,2,0,0,0,0|2,0,0]=4 22840 B12R0.268 CC(O)CCCNCCSC(C)C 2230a_100000731138_200000718107 [0,2,0,0,0,0|2,0,0]=4 22841 B12R0.268 CC(O)CCCNCCSC(C)C 34a_100000731138_200000718107 [0,2,0,0,0,0|2,0,0]=4 22842 B12R0.268 CC(O)CCCOCCNC(C)C 34a_100000224655_200000718107 [0,2,0,0,0,0|2,0,0]=4 22843 B12R0.268 CC(O)CCCOCCOC(C)C 34a_100000211219_200000718107 [0,2,0,0,0,0|2,0,0]=4 22844 B12R0.268 CC(O)CCCOCCOC(C)C 7a_100000211219_200000718107 [0,2,0,0,0,0|2,0,0]=4 22845 B12R0.268 CC(O)CCCOCCSC(C)C 34a_200011212901_200000718107 [0,2,0,0,0,0|2,0,0]=4 22846 B12R0.268 CC(O)CCCOCCSC(C)C 7a_200011212901_200000718107 [0,2,0,0,0,0|2,0,0]=4 22847 B12R0.268 CC(O)CCCSCCCC(C)O 62a_200000718107_200000718107 [0,2,0,0,0,0|1,0,0]=3 22848 B12R0.268 CC(O)CCCSCCCN(C)C 62a_200000718107_100000757444 [0,2,0,0,0,0|2,0,0]=4 22849 B12R0.268 CC(O)CCCSCCOC(C)C 62a_100000211751_200000718107 [0,2,0,0,0,0|2,0,0]=4 22850 B12R0.268 CC(O)CCCSCCOC(C)C 62a_200000718107_100000211751 [0,2,0,0,0,0|2,0,0]=4 22851 B12R0.268 CC(O)CCCSCCSC(C)C 62a_100000730970_200000718107 [0,2,0,0,0,0|2,0,0]=4 22852 B12R0.268 CC(O)CCCSCCSC(C)C 62a_200000718107_100000730970 [0,2,0,0,0,0|2,0,0]=4 22853 B12R0.268 CC(O)CCNCCCCB(O)O 2230a_200000755665_200009817182 [0,2,0,0,0,0|2,0,0]=4 22854 B12R0.268 CC(O)CCNCCCOC(C)C 2230a_100000737246_100012276601 [0,2,0,0,0,0|2,0,0]=4 22855 B12R0.268 CC(O)CCNCCCOC(C)C 34a_100000737246_100012276601 [0,2,0,0,0,0|2,0,0]=4 22856 B12R0.268 CC(O)CCOCCCNC(C)C 34a_100000182298_100012276601 [0,2,0,0,0,0|2,0,0]=4 22857 B12R0.268 CC(O)CCSCCCCB(O)O 62a_100012276601_200009817182 [0,2,0,0,0,0|2,0,0]=4 22858 B12R0.268 CC(O)CCSCCCCB(O)O 62a_200009817182_100012276601 [0,2,0,0,0,0|2,0,0]=4 22859 B12R0.268 CC(O)CCSCCCCN(C)C 62a_100012276601_100000690147 [0,2,0,0,0,0|2,0,0]=4 22860 B12R0.268 CC(O)CNCCCCCB(O)O 2230a_100000210904_200009817188 [0,2,0,0,0,0|2,0,0]=4 22861 B12R0.268 CC(O)CNCCCCCB(O)O 34a_100000210904_200009817188 [0,2,0,0,0,0|2,0,0]=4 22862 B12R0.268 CC(O)COCCCCNC(C)C 34a_100011521146_100011218427 [0,2,0,0,0,0|2,0,0]=4 22863 B12R0.268 CC(O)CSCCCCCB(O)O 62a_100011218427_200009817188 [0,2,0,0,0,0|2,0,0]=4 22864 B12R0.268 CC(O)CSCCCCCB(O)O 62a_200009817188_100011218427 [0,2,0,0,0,0|2,0,0]=4 22865 B12R0.268 C[C@@H](Cl)COCCCCCB(O)O 34a_100016084084_200009817188 [0,2,0,0,0,0|2,0,0]=4 22866 B12R0.268 C[C@@H](N)CCOCCCCB(O)O 34a_100000706166_200009817182 [0,2,0,0,0,0|2,0,0]=4 22867 B12R0.268 C[C@@H](N)COCCCCCB(O)O 34a_100000737577_200009817188 [0,2,0,0,0,0|2,0,0]=4 22868 B12R0.268 C[C@@H](O)CSCCCCCB(O)O 62a_100009817552_200009817188 [0,2,0,0,0,0|2,0,0]=4 22869 B12R0.268 C[C@@H](O)CSCCCCCB(O)O 62a_200009817188_100009817552 [0,2,0,0,0,0|2,0,0]=4 22870 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [1,0,0,1,0,0|2,0,0]=4 22871 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 22872 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 22873 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 22874 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 22875 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 22876 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [1,0,0,1,0,0|1,0,0]=3 22877 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [1,0,0,1,0,0|1,0,0]=3 22878 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [1,0,0,1,0,0|1,0,0]=3 22879 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,0]=3 22880 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,0]=3 22881 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,0]=3 22882 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,0]=3 22883 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,0]=3 22884 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,0]=3 22885 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [1,0,0,1,0,0|2,0,0]=4 22886 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [1,0,0,1,0,0|2,0,0]=4 22887 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [1,0,0,1,0,0|2,0,0]=4 22888 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [1,0,0,1,0,0|2,0,0]=4 22889 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [1,0,0,1,0,0|2,0,0]=4 22890 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [1,0,0,1,0,0|2,0,0]=4 22891 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [1,0,0,1,0,0|1,0,0]=3 22892 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [1,0,0,1,0,0|1,0,0]=3 22893 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [1,0,0,1,0,0|1,0,0]=3 22894 B10R1.4 CCCN1CCOC[C@@H]1C 2230a_100009815349_100000210303 [1,0,0,1,0,0|2,0,0]=4 22895 B10R1.4 CCCN1CCOC[C@@H]1C 269982a_100009815349_100000210303 [1,0,0,1,0,0|2,0,0]=4 22896 B10R1.4 CCCN1CCOC[C@@H]1C 34a_100009815349_100000210303 [1,0,0,1,0,0|2,0,0]=4 22897 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|1,0,0]=3 22898 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|1,0,0]=3 22899 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|1,0,0]=3 22900 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|1,0,0]=3 22901 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [1,0,0,1,0,0|2,0,0]=4 22902 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [1,0,0,1,0,0|2,0,0]=4 22903 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 22904 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 22905 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [1,0,0,1,0,0|2,0,0]=4 22906 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [1,0,0,1,0,0|2,0,0]=4 22907 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|1,0,0]=3 22908 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|1,0,0]=3 22909 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 22910 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 22911 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [1,0,0,1,0,0|2,0,0]=4 22912 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|1,0,0]=3 22913 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [1,0,0,1,0,0|2,0,0]=4 22914 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [1,0,0,1,0,0|2,0,0]=4 22915 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 22916 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 22917 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|2,0,0]=4 22918 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [1,0,0,1,0,0|2,0,0]=4 22919 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [1,0,0,1,0,0|2,0,0]=4 22920 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [1,0,0,1,0,0|1,0,0]=3 22921 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [1,0,0,1,0,0|1,0,0]=3 22922 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [1,0,0,1,0,0|1,0,0]=3 22923 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [1,0,0,1,0,0|1,0,0]=3 22924 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [1,0,0,1,0,0|1,0,0]=3 22925 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [1,0,0,1,0,0|2,0,0]=4 22926 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [1,0,0,1,0,0|2,0,0]=4 22927 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [1,0,0,1,0,0|2,0,0]=4 22928 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [1,0,0,1,0,0|2,0,0]=4 22929 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [1,0,0,1,0,0|1,0,0]=3 22930 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [1,0,0,1,0,0|2,0,0]=4 22931 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [1,0,0,1,0,0|2,0,0]=4 22932 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [1,0,0,1,0,0|2,0,0]=4 22933 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [1,0,0,1,0,0|2,0,0]=4 22934 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [1,0,0,1,0,0|2,0,0]=4 22935 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [1,0,0,1,0,0|2,0,0]=4 22936 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [1,0,0,1,0,0|2,0,0]=4 22937 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [1,0,0,1,0,0|2,0,0]=4 22938 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [1,0,0,1,0,0|2,0,0]=4 22939 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [1,0,0,1,0,0|2,0,0]=4 22940 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [1,0,0,1,0,0|2,0,0]=4 22941 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [1,0,0,1,0,0|2,0,0]=4 22942 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [1,0,0,1,0,0|2,0,0]=4 22943 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [1,0,0,1,0,0|2,0,0]=4 22944 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [1,0,0,1,0,0|2,0,0]=4 22945 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [1,0,0,1,0,0|2,0,0]=4 22946 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [1,0,0,1,0,0|2,0,0]=4 22947 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [1,0,0,1,0,0|2,0,0]=4 22948 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [1,0,0,1,0,0|2,0,0]=4 22949 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [1,0,0,1,0,0|2,0,0]=4 22950 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [1,0,0,1,0,0|2,0,0]=4 22951 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [1,0,0,1,0,0|2,0,0]=4 22952 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [1,0,0,1,0,0|2,0,0]=4 22953 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [1,0,0,1,0,0|1,0,0]=3 22954 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [1,0,0,1,0,0|1,0,0]=3 22955 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [1,0,0,1,0,0|1,0,0]=3 22956 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [1,0,0,1,0,0|1,0,0]=3 22957 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 22958 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 22959 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 22960 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [1,0,0,1,0,0|1,0,0]=3 22961 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [1,0,0,1,0,0|1,0,0]=3 22962 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [1,0,0,1,0,0|1,0,0]=3 22963 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [1,0,0,1,0,0|2,0,0]=4 22964 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [1,0,0,1,0,0|2,0,0]=4 22965 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [1,0,0,1,0,0|2,0,0]=4 22966 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [1,0,0,1,0,0|2,0,0]=4 22967 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [1,0,0,1,0,0|2,0,0]=4 22968 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,0]=3 22969 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,0]=3 22970 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|1,0,0]=3 22971 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|1,0,0]=3 22972 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|1,0,0]=3 22973 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [1,0,0,1,0,0|1,0,0]=3 22974 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [1,0,0,1,0,0|1,0,0]=3 22975 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [1,0,0,1,0,0|1,0,0]=3 22976 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [1,0,0,1,0,0|2,0,0]=4 22977 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [1,0,0,1,0,0|2,0,0]=4 22978 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [1,0,0,1,0,0|2,0,0]=4 22979 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [1,0,0,1,0,0|2,0,0]=4 22980 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [1,0,0,1,0,0|2,0,0]=4 22981 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [1,0,0,1,0,0|2,0,0]=4 22982 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [1,0,0,1,0,0|2,0,0]=4 22983 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [1,0,0,1,0,0|2,0,0]=4 22984 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [1,0,0,1,0,0|2,0,0]=4 22985 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|1,0,0]=3 22986 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|1,0,0]=3 22987 B10R1.5 COCN1CCC[C@@H]1CO 2230a_100000745186_100000766300 [1,0,0,1,0,0|2,0,0]=4 22988 B10R1.5 COCN1CCC[C@@H]1CO 269982a_100000745186_100000766300 [1,0,0,1,0,0|2,0,0]=4 22989 B10R1.5 CSCN1CCC[C@@H]1CO 2230a_100000745186_100011218213 [1,0,0,1,0,0|2,0,0]=4 22990 B10R1.5 CSCN1CCC[C@@H]1CO 269982a_100000745186_100011218213 [1,0,0,1,0,0|2,0,0]=4 22991 B10R1.5 CSCN1CCC[C@@H]1CO 34a_100000745186_100011218213 [1,0,0,1,0,0|2,0,0]=4 22992 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [1,0,0,1,0,0|2,0,0]=4 22993 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [1,0,0,1,0,0|2,0,0]=4 22994 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [1,0,0,1,0,0|2,0,0]=4 22995 B10R1.5 OC[C@H]1CCCN1CCF 2230a_100000745186_100011217306 [1,0,0,1,0,0|2,0,0]=4 22996 B10R1.5 OC[C@H]1CCCN1CCF 269982a_100000745186_100011217306 [1,0,0,1,0,0|2,0,0]=4 22997 B10R1.5 OC[C@H]1CCCN1CCF 34a_100000745186_100011217306 [1,0,0,1,0,0|2,0,0]=4 22998 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [1,0,0,1,0,0|2,0,0]=4 22999 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [1,0,0,1,0,0|2,0,0]=4 23000 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [1,0,0,1,0,0|2,0,0]=4 23001 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [1,0,0,1,0,0|2,0,0]=4 23002 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [1,0,0,1,0,0|2,0,0]=4 23003 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [1,0,0,1,0,0|2,0,0]=4 23004 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [1,0,0,1,0,0|2,0,0]=4 23005 B10R1.17 CCCCN1CCSCC1 2230a_100000737611_100000210211 [1,0,0,1,0,0|2,0,0]=4 23006 B10R1.17 CCCCN1CCSCC1 269982a_100000737611_100000210211 [1,0,0,1,0,0|2,0,0]=4 23007 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,1,0,0|1,0,0]=3 23008 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,1,0,0|1,0,0]=3 23009 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,1,0,0|1,0,0]=3 23010 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [1,0,0,1,0,0|2,0,0]=4 23011 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [1,0,0,1,0,0|2,0,0]=4 23012 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [1,0,0,1,0,0|2,0,0]=4 23013 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [1,0,0,1,0,0|2,0,0]=4 23014 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [1,0,0,1,0,0|2,0,0]=4 23015 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [1,0,0,1,0,0|2,0,0]=4 23016 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [1,0,0,1,0,0|2,0,0]=4 23017 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [1,0,0,1,0,0|2,0,0]=4 23018 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [1,0,0,1,0,0|2,0,0]=4 23019 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [1,0,0,1,0,0|2,0,0]=4 23020 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [1,0,0,1,0,0|2,0,0]=4 23021 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|1,0,0]=3 23022 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|1,0,0]=3 23023 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|1,0,0]=3 23024 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,0,0,1,0,0|1,0,0]=3 23025 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [1,0,0,1,0,0|2,0,0]=4 23026 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [1,0,0,1,0,0|2,0,0]=4 23027 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [1,0,0,1,0,0|2,0,0]=4 23028 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [1,0,0,1,0,0|2,0,0]=4 23029 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [1,0,0,1,0,0|2,0,0]=4 23030 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [1,0,0,1,0,0|2,0,0]=4 23031 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [1,0,0,1,0,0|2,0,0]=4 23032 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,1,0,0|1,0,0]=3 23033 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,1,0,0|1,0,0]=3 23034 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [1,0,0,1,0,0|2,0,0]=4 23035 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [1,0,0,1,0,0|2,0,0]=4 23036 B10R1.17 CCCSC1CCSCC1 62a_100000210303_100000069128 [1,0,0,1,0,0|2,0,0]=4 23037 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|1,0,0]=3 23038 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|1,0,0]=3 23039 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|1,0,0]=3 23040 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|1,0,0]=3 23041 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,1,0,0|1,0,0]=3 23042 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,1,0,0|1,0,0]=3 23043 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,1,0,0|1,0,0]=3 23044 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [1,0,0,1,0,0|2,0,0]=4 23045 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [1,0,0,1,0,0|2,0,0]=4 23046 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [1,0,0,1,0,0|2,0,0]=4 23047 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [1,0,0,1,0,0|2,0,0]=4 23048 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [1,0,0,1,0,0|2,0,0]=4 23049 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [1,0,0,1,0,0|2,0,0]=4 23050 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [1,0,0,1,0,0|2,0,0]=4 23051 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [1,0,0,1,0,0|2,0,0]=4 23052 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [1,0,0,1,0,0|2,0,0]=4 23053 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [1,0,0,1,0,0|2,0,0]=4 23054 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [1,0,0,1,0,0|2,0,0]=4 23055 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [1,0,0,1,0,0|2,0,0]=4 23056 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [1,0,0,1,0,0|2,0,0]=4 23057 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|1,0,0]=3 23058 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|1,0,0]=3 23059 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|1,0,0]=3 23060 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 23061 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|1,0,0]=3 23062 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|1,0,0]=3 23063 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|1,0,0]=3 23064 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,0,0,1,0,0|2,0,0]=4 23065 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,1,0,0|2,0,0]=4 23066 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,1,0,0|2,0,0]=4 23067 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [1,0,0,1,0,0|2,0,0]=4 23068 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [1,0,0,1,0,0|2,0,0]=4 23069 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [1,0,0,1,0,0|2,0,0]=4 23070 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [1,0,0,1,0,0|2,0,0]=4 23071 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [1,0,0,1,0,0|2,0,0]=4 23072 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [1,0,0,1,0,0|2,0,0]=4 23073 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [1,0,0,1,0,0|2,0,0]=4 23074 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|1,0,0]=3 23075 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|1,0,0]=3 23076 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,1,0,0|1,0,0]=3 23077 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,1,0,0|1,0,0]=3 23078 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [1,0,0,1,0,0|2,0,0]=4 23079 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [1,0,0,1,0,0|2,0,0]=4 23080 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [1,0,0,1,0,0|2,0,0]=4 23081 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [1,0,0,1,0,0|2,0,0]=4 23082 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,0]=3 23083 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,0]=3 23084 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,0]=3 23085 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,0]=3 23086 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,0]=3 23087 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,0]=3 23088 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,1,0,0|1,0,0]=3 23089 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,1,0,0|1,0,0]=3 23090 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [1,0,0,1,0,0|2,0,0]=4 23091 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [1,0,0,1,0,0|2,0,0]=4 23092 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [1,0,0,1,0,0|2,0,0]=4 23093 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [1,0,0,1,0,0|2,0,0]=4 23094 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [1,0,0,1,0,0|2,0,0]=4 23095 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [1,0,0,1,0,0|2,0,0]=4 23096 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [1,0,0,1,0,0|2,0,0]=4 23097 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [1,0,0,1,0,0|2,0,0]=4 23098 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [1,0,0,1,0,0|2,0,0]=4 23099 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [1,0,0,1,0,0|2,0,0]=4 23100 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [1,0,0,1,0,0|2,0,0]=4 23101 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [1,0,0,1,0,0|2,0,0]=4 23102 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [1,0,0,1,0,0|2,0,0]=4 23103 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [1,0,0,1,0,0|2,0,0]=4 23104 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|1,0,0]=3 23105 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|1,0,0]=3 23106 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|1,0,0]=3 23107 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 23108 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [1,0,0,1,0,0|2,0,0]=4 23109 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [1,0,0,1,0,0|2,0,0]=4 23110 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,1,0,0|2,0,0]=4 23111 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,1,0,0|2,0,0]=4 23112 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,1,0,0|2,0,0]=4 23113 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [1,0,0,1,0,0|2,0,0]=4 23114 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [1,0,0,1,0,0|2,0,0]=4 23115 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [1,0,0,1,0,0|2,0,0]=4 23116 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [1,0,0,1,0,0|2,0,0]=4 23117 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [1,0,0,1,0,0|2,0,0]=4 23118 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [1,0,0,1,0,0|2,0,0]=4 23119 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,0]=3 23120 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,0]=3 23121 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [1,0,0,1,0,0|2,0,0]=4 23122 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [1,0,0,1,0,0|2,0,0]=4 23123 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [1,0,0,1,0,0|2,0,0]=4 23124 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [1,0,0,1,0,0|2,0,0]=4 23125 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [1,0,0,1,0,0|2,0,0]=4 23126 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [1,0,0,1,0,0|2,0,0]=4 23127 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [1,0,0,1,0,0|2,0,0]=4 23128 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [1,0,0,1,0,0|2,0,0]=4 23129 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [1,0,0,1,0,0|2,0,0]=4 23130 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [1,0,0,1,0,0|2,0,0]=4 23131 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [1,0,0,1,0,0|2,0,0]=4 23132 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [1,0,0,1,0,0|2,0,0]=4 23133 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [1,0,0,1,0,0|2,0,0]=4 23134 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [1,0,0,1,0,0|2,0,0]=4 23135 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [1,0,0,1,0,0|2,0,0]=4 23136 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [1,0,0,1,0,0|2,0,0]=4 23137 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [1,0,0,1,0,0|2,0,0]=4 23138 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [1,0,0,1,0,0|2,0,0]=4 23139 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [1,0,0,1,0,0|2,0,0]=4 23140 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [1,0,0,1,0,0|2,0,0]=4 23141 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [1,0,0,1,0,0|2,0,0]=4 23142 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [1,0,0,1,0,0|2,0,0]=4 23143 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [1,0,0,1,0,0|2,0,0]=4 23144 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [1,0,0,1,0,0|2,0,0]=4 23145 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 23146 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 23147 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [1,0,0,1,0,0|2,0,0]=4 23148 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [1,0,0,1,0,0|2,0,0]=4 23149 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [1,0,0,1,0,0|2,0,0]=4 23150 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [1,0,0,1,0,0|2,0,0]=4 23151 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [1,0,0,1,0,0|2,0,0]=4 23152 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [1,0,0,1,0,0|2,0,0]=4 23153 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [1,0,0,1,0,0|2,0,0]=4 23154 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [1,0,0,1,0,0|2,0,0]=4 23155 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [1,0,0,1,0,0|2,0,0]=4 23156 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [1,0,0,1,0,0|2,0,0]=4 23157 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [1,0,0,1,0,0|2,0,0]=4 23158 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [1,0,0,1,0,0|2,0,0]=4 23159 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [1,0,0,1,0,0|2,0,0]=4 23160 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [1,0,0,1,0,0|2,0,0]=4 23161 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [1,0,0,1,0,0|2,0,0]=4 23162 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [1,0,0,1,0,0|1,0,0]=3 23163 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [1,0,0,1,0,0|1,0,0]=3 23164 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [1,0,0,1,0,0|1,0,0]=3 23165 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [1,0,0,1,0,0|1,0,0]=3 23166 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [1,0,0,1,0,0|2,0,0]=4 23167 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [1,0,0,1,0,0|2,0,0]=4 23168 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [1,0,0,1,0,0|2,0,0]=4 23169 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [1,0,0,1,0,0|2,0,0]=4 23170 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [1,0,0,1,0,0|2,0,0]=4 23171 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [1,0,0,1,0,0|2,0,0]=4 23172 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [1,0,0,1,0,0|2,0,0]=4 23173 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [1,0,0,1,0,0|2,0,0]=4 23174 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [1,0,0,1,0,0|2,0,0]=4 23175 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [1,0,0,1,0,0|2,0,0]=4 23176 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [1,0,0,1,0,0|2,0,0]=4 23177 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [1,0,0,1,0,0|2,0,0]=4 23178 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [1,0,0,1,0,0|2,0,0]=4 23179 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [1,0,0,1,0,0|1,0,0]=3 23180 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [1,0,0,1,0,0|1,0,0]=3 23181 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [1,0,0,1,0,0|2,0,0]=4 23182 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [1,0,0,1,0,0|2,0,0]=4 23183 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [1,0,0,1,0,0|2,0,0]=4 23184 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [1,0,0,1,0,0|2,0,0]=4 23185 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [1,0,0,1,0,0|2,0,0]=4 23186 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [1,0,0,1,0,0|2,0,0]=4 23187 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [1,0,0,1,0,0|1,0,0]=3 23188 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [1,0,0,1,0,0|1,0,0]=3 23189 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [1,0,0,1,0,0|2,0,0]=4 23190 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [1,0,0,1,0,0|2,0,0]=4 23191 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [1,0,0,1,0,0|2,0,0]=4 23192 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,0]=3 23193 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,0]=3 23194 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,1,0,0|1,0,0]=3 23195 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,1,0,0|1,0,0]=3 23196 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [1,0,0,1,0,0|2,0,0]=4 23197 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [1,0,0,1,0,0|2,0,0]=4 23198 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|1,0,0]=3 23199 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|1,0,0]=3 23200 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 23201 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [1,0,0,1,0,0|2,0,0]=4 23202 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [1,0,0,1,0,0|2,0,0]=4 23203 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,1,0,0|2,0,0]=4 23204 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,1,0,0|2,0,0]=4 23205 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,0]=3 23206 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,0]=3 23207 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [1,0,0,1,0,0|2,0,0]=4 23208 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [1,0,0,1,0,0|2,0,0]=4 23209 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [1,0,0,1,0,0|2,0,0]=4 23210 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [1,0,0,1,0,0|2,0,0]=4 23211 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [1,0,0,1,0,0|2,0,0]=4 23212 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [1,0,0,1,0,0|2,0,0]=4 23213 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [1,0,0,1,0,0|2,0,0]=4 23214 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [1,0,0,1,0,0|2,0,0]=4 23215 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,0]=3 23216 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,0]=3 23217 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|1,0,0]=3 23218 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|1,0,0]=3 23219 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|1,0,0]=3 23220 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|1,0,0]=3 23221 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|1,0,0]=3 23222 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|1,0,0]=3 23223 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|1,0,0]=3 23224 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 23225 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 23226 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [1,0,0,1,0,0|1,0,0]=3 23227 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [1,0,0,1,0,0|1,0,0]=3 23228 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [1,0,0,1,0,0|1,0,0]=3 23229 B10R1.20 CCN1CCOC[C@H]1CO 2230a_100000717676_100000210202 [1,0,0,1,0,0|2,0,0]=4 23230 B10R1.20 CCN1CCOC[C@H]1CO 269982a_100000717676_100000204670 [1,0,0,1,0,0|2,0,0]=4 23231 B10R1.20 CCN1CCOC[C@H]1CO 34a_100000717676_100000210202 [1,0,0,1,0,0|2,0,0]=4 23232 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [1,0,0,1,0,0|2,0,0]=4 23233 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [1,0,0,1,0,0|2,0,0]=4 23234 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [1,0,0,1,0,0|2,0,0]=4 23235 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [1,0,0,1,0,0|1,0,0]=3 23236 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [1,0,0,1,0,0|2,0,0]=4 23237 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [1,0,0,1,0,0|2,0,0]=4 23238 B10R1.20 CNC1CCOCC1CO 2230a_214813039666_200000210301 [1,0,0,1,0,0|2,0,0]=4 23239 B10R1.20 CNC1CCOCC1CO 34a_214813039666_200000210301 [1,0,0,1,0,0|2,0,0]=4 23240 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [1,0,0,1,0,0|2,0,0]=4 23241 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [1,0,0,1,0,0|2,0,0]=4 23242 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,0,0,1,0,0|2,0,0]=4 23243 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [1,0,0,1,0,0|2,0,0]=4 23244 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [1,0,0,1,0,0|2,0,0]=4 23245 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [1,0,0,1,0,0|2,0,0]=4 23246 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [1,0,0,1,0,0|2,0,0]=4 23247 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [1,0,0,1,0,0|2,0,0]=4 23248 B10R1.20 OCC1CCCCN1CF 269982a_100000210821_100015361967 [1,0,0,1,0,0|2,0,0]=4 23249 B10R1.20 OCC1CCCCN1CF 34a_100000210821_100015361967 [1,0,0,1,0,0|2,0,0]=4 23250 B10R1.20 [13CH3]NC1CCOCC1CO 2230a_214813039666_200025704644 [1,0,0,1,0,0|2,0,0]=4 23251 B10R1.20 [13CH3]NC1CCOCC1CO 34a_214813039666_200025704644 [1,0,0,1,0,0|2,0,0]=4 23252 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,0,0,1,0,0|2,0,0]=4 23253 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [1,0,0,1,0,0|2,0,0]=4 23254 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [1,0,0,1,0,0|2,0,0]=4 23255 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|1,0,0]=3 23256 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|1,0,0]=3 23257 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [1,0,0,1,0,0|2,0,0]=4 23258 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [1,0,0,1,0,0|2,0,0]=4 23259 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,0,0,1,0,0|1,0,0]=3 23260 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,0,0,1,0,0|1,0,0]=3 23261 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,0,0,1,0,0|1,0,0]=3 23262 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,0,0,1,0,0|1,0,0]=3 23263 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,0,0,1,0,0|1,0,0]=3 23264 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,0,0,1,0,0|2,0,0]=4 23265 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,0,0,1,0,0|2,0,0]=4 23266 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,0,0,1,0,0|2,0,0]=4 23267 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [1,0,0,1,0,0|2,0,0]=4 23268 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,0,0,1,0,0|2,0,0]=4 23269 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,0,0,1,0,0|2,0,0]=4 23270 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,0,0,1,0,0|2,0,0]=4 23271 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,0]=3 23272 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,0]=3 23273 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,0]=3 23274 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,0]=3 23275 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|1,0,0]=3 23276 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,0,0,1,0,0|2,0,0]=4 23277 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,0,0,1,0,0|2,0,0]=4 23278 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [1,0,0,1,0,0|2,0,0]=4 23279 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,0,0,1,0,0|2,0,0]=4 23280 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,0,0,1,0,0|1,0,0]=3 23281 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,0,0,1,0,0|1,0,0]=3 23282 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,0,0,1,0,0|2,0,0]=4 23283 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,1,0,0|1,0,0]=3 23284 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,1,0,0|1,0,0]=3 23285 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,1,0,0|1,0,0]=3 23286 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,0,0,1,0,0|2,0,0]=4 23287 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,0,0,1,0,0|2,0,0]=4 23288 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [1,0,0,1,0,0|2,0,0]=4 23289 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [1,0,0,1,0,0|2,0,0]=4 23290 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,1,0,0|1,0,0]=3 23291 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,1,0,0|1,0,0]=3 23292 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,1,0,0|1,0,0]=3 23293 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,1,0,0|1,0,0]=3 23294 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,1,0,0|1,0,0]=3 23295 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,1,0,0|1,0,0]=3 23296 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,1,0,0|1,0,0]=3 23297 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [1,0,0,1,0,0|2,0,0]=4 23298 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,1,0,0|2,0,0]=4 23299 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,1,0,0|2,0,0]=4 23300 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [1,0,0,1,0,0|2,0,0]=4 23301 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [1,0,0,1,0,0|2,0,0]=4 23302 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [1,0,0,1,0,0|2,0,0]=4 23303 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 23304 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,1,0,0|1,0,0]=3 23305 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,1,0,0|1,0,0]=3 23306 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,1,0,0|1,0,0]=3 23307 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,1,0,0|1,0,0]=3 23308 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,0,0,1,0,0|2,0,0]=4 23309 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,0,0,1,0,0|2,0,0]=4 23310 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [1,0,0,1,0,0|2,0,0]=4 23311 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [1,0,0,1,0,0|2,0,0]=4 23312 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|1,0,0]=3 23313 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|1,0,0]=3 23314 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|1,0,0]=3 23315 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [1,0,0,1,0,0|2,0,0]=4 23316 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [1,0,0,1,0,0|2,0,0]=4 23317 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [1,0,0,1,0,0|2,0,0]=4 23318 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|1,0,0]=3 23319 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|1,0,0]=3 23320 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|1,0,0]=3 23321 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [1,0,0,1,0,0|2,0,0]=4 23322 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|2,0,0]=4 23323 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [1,0,0,1,0,0|2,0,0]=4 23324 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [1,0,0,1,0,0|2,0,0]=4 23325 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [1,0,0,1,0,0|2,0,0]=4 23326 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [1,0,0,1,0,0|2,0,0]=4 23327 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [1,0,0,1,0,0|2,0,0]=4 23328 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|1,0,0]=3 23329 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|1,0,0]=3 23330 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [1,0,0,1,0,0|2,0,0]=4 23331 B10R1.21 CCSCCN1CCCC1 2230a_100000188435_100000757381 [1,0,0,1,0,0|2,0,0]=4 23332 B10R1.21 CCSCCN1CCCC1 269982a_100000188435_100000757381 [1,0,0,1,0,0|2,0,0]=4 23333 B10R1.21 CCSCCN1CCCC1 62a_100000210202_100000004467 [1,0,0,1,0,0|2,0,0]=4 23334 B10R1.21 CCSCCN1CCCC1 62a_100000700749_100000210202 [1,0,0,1,0,0|2,0,0]=4 23335 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,0]=3 23336 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,0]=3 23337 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,0]=3 23338 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,0]=3 23339 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,0]=3 23340 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [1,0,0,1,0,0|2,0,0]=4 23341 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [1,0,0,1,0,0|2,0,0]=4 23342 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [1,0,0,1,0,0|2,0,0]=4 23343 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [1,0,0,1,0,0|2,0,0]=4 23344 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [1,0,0,1,0,0|2,0,0]=4 23345 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [1,0,0,1,0,0|2,0,0]=4 23346 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [1,0,0,1,0,0|2,0,0]=4 23347 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|1,0,0]=3 23348 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|1,0,0]=3 23349 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|1,0,0]=3 23350 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [1,0,0,1,0,0|2,0,0]=4 23351 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [1,0,0,1,0,0|2,0,0]=4 23352 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [1,0,0,1,0,0|2,0,0]=4 23353 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [1,0,0,1,0,0|2,0,0]=4 23354 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [1,0,0,1,0,0|2,0,0]=4 23355 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [1,0,0,1,0,0|2,0,0]=4 23356 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [1,0,0,1,0,0|2,0,0]=4 23357 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [1,0,0,1,0,0|2,0,0]=4 23358 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [1,0,0,1,0,0|2,0,0]=4 23359 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [1,0,0,1,0,0|2,0,0]=4 23360 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [1,0,0,1,0,0|2,0,0]=4 23361 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [1,0,0,1,0,0|2,0,0]=4 23362 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [1,0,0,1,0,0|2,0,0]=4 23363 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [1,0,0,1,0,0|2,0,0]=4 23364 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [1,0,0,1,0,0|2,0,0]=4 23365 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [1,0,0,1,0,0|2,0,0]=4 23366 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [1,0,0,1,0,0|2,0,0]=4 23367 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [1,0,0,1,0,0|2,0,0]=4 23368 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [1,0,0,1,0,0|2,0,0]=4 23369 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [1,0,0,1,0,0|2,0,0]=4 23370 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [1,0,0,1,0,0|2,0,0]=4 23371 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [1,0,0,1,0,0|2,0,0]=4 23372 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [1,0,0,1,0,0|2,0,0]=4 23373 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [1,0,0,1,0,0|2,0,0]=4 23374 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [1,0,0,1,0,0|2,0,0]=4 23375 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,0]=3 23376 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,0]=3 23377 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [1,0,0,1,0,0|2,0,0]=4 23378 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [1,0,0,1,0,0|2,0,0]=4 23379 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [1,0,0,1,0,0|2,0,0]=4 23380 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [1,0,0,1,0,0|2,0,0]=4 23381 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [1,0,0,1,0,0|2,0,0]=4 23382 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [1,0,0,1,0,0|2,0,0]=4 23383 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [1,0,0,1,0,0|2,0,0]=4 23384 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [1,0,0,1,0,0|2,0,0]=4 23385 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [1,0,0,1,0,0|2,0,0]=4 23386 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [1,0,0,1,0,0|2,0,0]=4 23387 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [1,0,0,1,0,0|2,0,0]=4 23388 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [1,0,0,1,0,0|2,0,0]=4 23389 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [1,0,0,1,0,0|2,0,0]=4 23390 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [1,0,0,1,0,0|2,0,0]=4 23391 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [1,0,0,1,0,0|2,0,0]=4 23392 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [1,0,0,1,0,0|2,0,0]=4 23393 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [1,0,0,1,0,0|2,0,0]=4 23394 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [1,0,0,1,0,0|2,0,0]=4 23395 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [1,0,0,1,0,0|2,0,0]=4 23396 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [1,0,0,1,0,0|2,0,0]=4 23397 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [1,0,0,1,0,0|2,0,0]=4 23398 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [1,0,0,1,0,0|2,0,0]=4 23399 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [1,0,0,1,0,0|2,0,0]=4 23400 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [1,0,0,1,0,0|2,0,0]=4 23401 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [1,0,0,1,0,0|2,0,0]=4 23402 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [1,0,0,1,0,0|2,0,0]=4 23403 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [1,0,0,1,0,0|2,0,0]=4 23404 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [1,0,0,1,0,0|2,0,0]=4 23405 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [1,0,0,1,0,0|2,0,0]=4 23406 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [1,0,0,1,0,0|2,0,0]=4 23407 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [1,0,0,1,0,0|2,0,0]=4 23408 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [1,0,0,1,0,0|2,0,0]=4 23409 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [1,0,0,1,0,0|2,0,0]=4 23410 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [1,0,0,1,0,0|2,0,0]=4 23411 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [1,0,0,1,0,0|2,0,0]=4 23412 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [1,0,0,1,0,0|2,0,0]=4 23413 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [1,0,0,1,0,0|2,0,0]=4 23414 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [1,0,0,1,0,0|2,0,0]=4 23415 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [1,0,0,1,0,0|2,0,0]=4 23416 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [1,0,0,1,0,0|2,0,0]=4 23417 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [1,0,0,1,0,0|2,0,0]=4 23418 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [1,0,0,1,0,0|2,0,0]=4 23419 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [1,0,0,1,0,0|2,0,0]=4 23420 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [1,0,0,1,0,0|2,0,0]=4 23421 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [1,0,0,1,0,0|2,0,0]=4 23422 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [1,0,0,1,0,0|2,0,0]=4 23423 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [1,0,0,1,0,0|2,0,0]=4 23424 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [1,0,0,1,0,0|2,0,0]=4 23425 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [1,0,0,1,0,0|2,0,0]=4 23426 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [1,0,0,1,0,0|2,0,0]=4 23427 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [1,0,0,1,0,0|2,0,0]=4 23428 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [1,0,0,1,0,0|2,0,0]=4 23429 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [1,0,0,1,0,0|2,0,0]=4 23430 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 23431 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 23432 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [1,0,0,1,0,0|2,0,0]=4 23433 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [1,0,0,1,0,0|2,0,0]=4 23434 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [1,0,0,1,0,0|2,0,0]=4 23435 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [1,0,0,1,0,0|2,0,0]=4 23436 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [1,0,0,1,0,0|1,0,0]=3 23437 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [1,0,0,1,0,0|1,0,0]=3 23438 B10R1.21 OCCCCN1CCSC1 2230a_100011215254_100000210776 [1,0,0,1,0,0|2,0,0]=4 23439 B10R1.21 OCCCCN1CCSC1 269982a_100011215254_100000210776 [1,0,0,1,0,0|2,0,0]=4 23440 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [1,0,0,1,0,0|1,0,0]=3 23441 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [1,0,0,1,0,0|1,0,0]=3 23442 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [1,0,0,1,0,0|1,0,0]=3 23443 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [1,0,0,1,0,0|2,0,0]=4 23444 B10R1.21 OCCCNC1CCSC1 270004a_100000182051_100000212027 [1,0,0,1,0,0|2,0,0]=4 23445 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [1,0,0,1,0,0|2,0,0]=4 23446 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [1,0,0,1,0,0|2,0,0]=4 23447 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [1,0,0,1,0,0|2,0,0]=4 23448 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [1,0,0,1,0,0|1,0,0]=3 23449 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [1,0,0,1,0,0|1,0,0]=3 23450 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [1,0,0,1,0,0|2,0,0]=4 23451 B10R1.21 OCCCOC1CCSC1 7a_100011232664_100011215043 [1,0,0,1,0,0|2,0,0]=4 23452 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [1,0,0,1,0,0|2,0,0]=4 23453 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [1,0,0,1,0,0|1,0,0]=3 23454 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [1,0,0,1,0,0|1,0,0]=3 23455 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [1,0,0,1,0,0|2,0,0]=4 23456 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [1,0,0,1,0,0|1,0,0]=3 23457 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [1,0,0,1,0,0|1,0,0]=3 23458 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [1,0,0,1,0,0|1,0,0]=3 23459 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [1,0,0,1,0,0|1,0,0]=3 23460 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [1,0,0,1,0,0|1,0,0]=3 23461 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [1,0,0,1,0,0|2,0,0]=4 23462 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [1,0,0,1,0,0|2,0,0]=4 23463 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [1,0,0,1,0,0|2,0,0]=4 23464 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [1,0,0,1,0,0|2,0,0]=4 23465 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [1,0,0,1,0,0|2,0,0]=4 23466 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [1,0,0,1,0,0|2,0,0]=4 23467 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [1,0,0,1,0,0|2,0,0]=4 23468 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [1,0,0,1,0,0|1,0,0]=3 23469 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [1,0,0,1,0,0|1,0,0]=3 23470 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [1,0,0,1,0,0|2,0,0]=4 23471 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [1,0,0,1,0,0|2,0,0]=4 23472 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [1,0,0,1,0,0|2,0,0]=4 23473 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [1,0,0,1,0,0|2,0,0]=4 23474 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [1,0,0,1,0,0|2,0,0]=4 23475 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [1,0,0,1,0,0|1,0,0]=3 23476 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [1,0,0,1,0,0|1,0,0]=3 23477 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [1,0,0,1,0,0|2,0,0]=4 23478 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [1,0,0,1,0,0|2,0,0]=4 23479 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [1,0,0,1,0,0|2,0,0]=4 23480 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [1,0,0,1,0,0|2,0,0]=4 23481 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,0]=3 23482 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,0]=3 23483 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [1,0,0,1,0,0|2,0,0]=4 23484 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|1,0,0]=3 23485 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|1,0,0]=3 23486 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [1,0,0,1,0,0|2,0,0]=4 23487 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [1,0,0,1,0,0|2,0,0]=4 23488 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [1,0,0,1,0,0|2,0,0]=4 23489 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [1,0,0,1,0,0|2,0,0]=4 23490 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [1,0,0,1,0,0|2,0,0]=4 23491 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,0]=3 23492 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,0]=3 23493 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [1,0,0,1,0,0|2,0,0]=4 23494 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [1,0,0,1,0,0|2,0,0]=4 23495 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [1,0,0,1,0,0|2,0,0]=4 23496 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [1,0,0,1,0,0|2,0,0]=4 23497 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [1,0,0,1,0,0|1,0,0]=3 23498 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [1,0,0,1,0,0|2,0,0]=4 23499 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [1,0,0,1,0,0|2,0,0]=4 23500 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [1,0,0,1,0,0|1,0,0]=3 23501 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [1,0,0,1,0,0|1,0,0]=3 23502 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [1,0,0,1,0,0|2,0,0]=4 23503 B10R1.29 CC1SCCN1CCCO 2230a_200011216479_100000230001 [1,0,0,1,0,0|2,0,0]=4 23504 B10R1.29 CC1SCCN1CCCO 269982a_200011216479_100011215043 [1,0,0,1,0,0|2,0,0]=4 23505 B10R1.29 CC1SCCN1CCCO 34a_200011216479_100000230001 [1,0,0,1,0,0|2,0,0]=4 23506 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [1,0,0,1,0,0|1,0,0]=3 23507 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [1,0,0,1,0,0|1,0,0]=3 23508 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [1,0,0,1,0,0|1,0,0]=3 23509 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [1,0,0,1,0,0|1,0,0]=3 23510 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [1,0,0,1,0,0|1,0,0]=3 23511 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [1,0,0,1,0,0|2,0,0]=4 23512 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [1,0,0,1,0,0|2,0,0]=4 23513 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [1,0,0,1,0,0|2,0,0]=4 23514 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [1,0,0,1,0,0|1,0,0]=3 23515 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [1,0,0,1,0,0|2,0,0]=4 23516 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [1,0,0,1,0,0|2,0,0]=4 23517 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [1,0,0,1,0,0|1,0,0]=3 23518 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [1,0,0,1,0,0|1,0,0]=3 23519 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [1,0,0,1,0,0|2,0,0]=4 23520 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [1,0,0,1,0,0|2,0,0]=4 23521 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [1,0,0,1,0,0|2,0,0]=4 23522 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [1,0,0,1,0,0|2,0,0]=4 23523 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [1,0,0,1,0,0|2,0,0]=4 23524 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [1,0,0,1,0,0|2,0,0]=4 23525 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [1,0,0,1,0,0|1,0,0]=3 23526 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [1,0,0,1,0,0|1,0,0]=3 23527 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [1,0,0,1,0,0|2,0,0]=4 23528 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [1,0,0,1,0,0|2,0,0]=4 23529 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [1,0,0,1,0,0|2,0,0]=4 23530 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [1,0,0,1,0,0|2,0,0]=4 23531 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [1,0,0,1,0,0|2,0,0]=4 23532 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [1,0,0,1,0,0|2,0,0]=4 23533 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [1,0,0,1,0,0|2,0,0]=4 23534 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [1,0,0,1,0,0|2,0,0]=4 23535 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [1,0,0,1,0,0|2,0,0]=4 23536 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [1,0,0,1,0,0|2,0,0]=4 23537 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [1,0,0,1,0,0|2,0,0]=4 23538 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [1,0,0,1,0,0|2,0,0]=4 23539 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [1,0,0,1,0,0|2,0,0]=4 23540 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [1,0,0,1,0,0|2,0,0]=4 23541 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [1,0,0,1,0,0|2,0,0]=4 23542 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [1,0,0,1,0,0|2,0,0]=4 23543 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [1,0,0,1,0,0|2,0,0]=4 23544 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [1,0,0,1,0,0|2,0,0]=4 23545 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_100000766300_200016002552 [1,0,0,1,0,0|2,0,0]=4 23546 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000766300 [1,0,0,1,0,0|2,0,0]=4 23547 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [1,0,0,1,0,0|2,0,0]=4 23548 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [1,0,0,1,0,0|2,0,0]=4 23549 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [1,0,0,1,0,0|2,0,0]=4 23550 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [1,0,0,1,0,0|2,0,0]=4 23551 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [1,0,0,1,0,0|2,0,0]=4 23552 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [1,0,0,1,0,0|2,0,0]=4 23553 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [1,0,0,1,0,0|2,0,0]=4 23554 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [1,0,0,1,0,0|2,0,0]=4 23555 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_100011218213_200016002552 [1,0,0,1,0,0|2,0,0]=4 23556 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218213 [1,0,0,1,0,0|2,0,0]=4 23557 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 23558 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 23559 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 23560 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [1,0,0,1,0,0|1,0,0]=3 23561 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [1,0,0,1,0,0|1,0,0]=3 23562 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [1,0,0,1,0,0|1,0,0]=3 23563 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [1,0,0,1,0,0|2,0,0]=4 23564 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [1,0,0,1,0,0|2,0,0]=4 23565 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [1,0,0,1,0,0|2,0,0]=4 23566 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [1,0,0,1,0,0|1,0,0]=3 23567 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [1,0,0,1,0,0|1,0,0]=3 23568 B10R1.29 N[C@H]1CCC[C@@H]1OCCO 34a_100000748460_100000211926 [1,0,0,1,0,0|2,0,0]=4 23569 B10R1.29 OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211926 [1,0,0,1,0,0|2,0,0]=4 23570 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [1,0,0,1,0,0|2,0,0]=4 23571 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [1,0,0,1,0,0|2,0,0]=4 23572 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_100011217306_200016002552 [1,0,0,1,0,0|2,0,0]=4 23573 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_200016002552_100011217306 [1,0,0,1,0,0|2,0,0]=4 23574 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [1,0,0,1,0,0|2,0,0]=4 23575 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [1,0,0,1,0,0|2,0,0]=4 23576 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [1,0,0,1,0,0|1,0,0]=3 23577 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [1,0,0,1,0,0|1,0,0]=3 23578 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,1,0,0|1,0,0]=3 23579 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,1,0,0|1,0,0]=3 23580 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [1,0,0,1,0,0|2,0,0]=4 23581 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [1,0,0,1,0,0|2,0,0]=4 23582 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [1,0,0,1,0,0|2,0,0]=4 23583 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [1,0,0,1,0,0|2,0,0]=4 23584 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [1,0,0,1,0,0|2,0,0]=4 23585 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [1,0,0,1,0,0|2,0,0]=4 23586 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [1,0,0,1,0,0|2,0,0]=4 23587 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [1,0,0,1,0,0|2,0,0]=4 23588 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [1,0,0,1,0,0|1,0,0]=3 23589 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [1,0,0,1,0,0|1,0,0]=3 23590 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [1,0,0,1,0,0|2,0,0]=4 23591 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [1,0,0,1,0,0|2,0,0]=4 23592 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [1,0,0,1,0,0|2,0,0]=4 23593 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|1,0,0]=3 23594 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|1,0,0]=3 23595 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [1,0,0,1,0,0|2,0,0]=4 23596 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [1,0,0,1,0,0|2,0,0]=4 23597 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [1,0,0,1,0,0|2,0,0]=4 23598 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [1,0,0,1,0,0|2,0,0]=4 23599 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [1,0,0,1,0,0|2,0,0]=4 23600 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [1,0,0,1,0,0|2,0,0]=4 23601 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [1,0,0,1,0,0|2,0,0]=4 23602 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [1,0,0,1,0,0|2,0,0]=4 23603 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [1,0,0,1,0,0|2,0,0]=4 23604 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [1,0,0,1,0,0|2,0,0]=4 23605 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|1,0,0]=3 23606 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [1,0,0,1,0,0|1,0,0]=3 23607 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [1,0,0,1,0,0|1,0,0]=3 23608 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [1,0,0,1,0,0|1,0,0]=3 23609 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [1,0,0,1,0,0|2,0,0]=4 23610 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [1,0,0,1,0,0|1,0,0]=3 23611 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [1,0,0,1,0,0|1,0,0]=3 23612 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [1,0,0,1,0,0|2,0,0]=4 23613 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [1,0,0,1,0,0|2,0,0]=4 23614 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [1,0,0,1,0,0|2,0,0]=4 23615 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [1,0,0,1,0,0|1,0,0]=3 23616 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [1,0,0,1,0,0|2,0,0]=4 23617 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [1,0,0,1,0,0|1,0,0]=3 23618 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [1,0,0,1,0,0|1,0,0]=3 23619 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [1,0,0,1,0,0|1,0,0]=3 23620 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [1,0,0,1,0,0|1,0,0]=3 23621 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [1,0,0,1,0,0|1,0,0]=3 23622 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|1,0,0]=3 23623 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|1,0,0]=3 23624 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [1,0,0,1,0,0|2,0,0]=4 23625 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [1,0,0,1,0,0|2,0,0]=4 23626 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [1,0,0,1,0,0|2,0,0]=4 23627 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [1,0,0,1,0,0|2,0,0]=4 23628 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|1,0,0]=3 23629 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|1,0,0]=3 23630 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [1,0,0,1,0,0|1,0,0]=3 23631 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [1,0,0,1,0,0|1,0,0]=3 23632 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [1,0,0,1,0,0|1,0,0]=3 23633 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|1,0,0]=3 23634 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|1,0,0]=3 23635 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|1,0,0]=3 23636 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [1,0,0,1,0,0|2,0,0]=4 23637 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [1,0,0,1,0,0|2,0,0]=4 23638 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [1,0,0,1,0,0|2,0,0]=4 23639 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [1,0,0,1,0,0|2,0,0]=4 23640 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [1,0,0,1,0,0|2,0,0]=4 23641 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [1,0,0,1,0,0|1,0,0]=3 23642 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [1,0,0,1,0,0|1,0,0]=3 23643 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|1,0,0]=3 23644 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|1,0,0]=3 23645 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [1,0,0,1,0,0|2,0,0]=4 23646 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [1,0,0,1,0,0|2,0,0]=4 23647 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [1,0,0,1,0,0|2,0,0]=4 23648 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [1,0,0,1,0,0|2,0,0]=4 23649 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [1,0,0,1,0,0|2,0,0]=4 23650 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [1,0,0,1,0,0|2,0,0]=4 23651 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [1,0,0,1,0,0|2,0,0]=4 23652 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [1,0,0,1,0,0|2,0,0]=4 23653 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [1,0,0,1,0,0|2,0,0]=4 23654 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [1,0,0,1,0,0|2,0,0]=4 23655 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [1,0,0,1,0,0|2,0,0]=4 23656 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [1,0,0,1,0,0|2,0,0]=4 23657 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [1,0,0,1,0,0|2,0,0]=4 23658 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [1,0,0,1,0,0|2,0,0]=4 23659 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [1,0,0,1,0,0|2,0,0]=4 23660 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [1,0,0,1,0,0|2,0,0]=4 23661 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [1,0,0,1,0,0|2,0,0]=4 23662 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [1,0,0,1,0,0|2,0,0]=4 23663 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [1,0,0,1,0,0|2,0,0]=4 23664 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [1,0,0,1,0,0|2,0,0]=4 23665 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [1,0,0,1,0,0|2,0,0]=4 23666 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [1,0,0,1,0,0|2,0,0]=4 23667 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [1,0,0,1,0,0|2,0,0]=4 23668 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [1,0,0,1,0,0|2,0,0]=4 23669 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [1,0,0,1,0,0|2,0,0]=4 23670 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [1,0,0,1,0,0|2,0,0]=4 23671 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [1,0,0,1,0,0|2,0,0]=4 23672 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [1,0,0,1,0,0|2,0,0]=4 23673 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [1,0,0,1,0,0|2,0,0]=4 23674 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [1,0,0,1,0,0|2,0,0]=4 23675 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [1,0,0,1,0,0|2,0,0]=4 23676 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [1,0,0,1,0,0|2,0,0]=4 23677 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [1,0,0,1,0,0|2,0,0]=4 23678 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [1,0,0,1,0,0|2,0,0]=4 23679 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [1,0,0,1,0,0|2,0,0]=4 23680 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [1,0,0,1,0,0|2,0,0]=4 23681 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [1,0,0,1,0,0|2,0,0]=4 23682 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [1,0,0,1,0,0|2,0,0]=4 23683 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [1,0,0,1,0,0|2,0,0]=4 23684 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [1,0,0,1,0,0|2,0,0]=4 23685 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [1,0,0,1,0,0|2,0,0]=4 23686 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [1,0,0,1,0,0|2,0,0]=4 23687 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [1,0,0,1,0,0|2,0,0]=4 23688 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [1,0,0,1,0,0|2,0,0]=4 23689 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [1,0,0,1,0,0|2,0,0]=4 23690 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [1,0,0,1,0,0|2,0,0]=4 23691 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [1,0,0,1,0,0|2,0,0]=4 23692 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [1,0,0,1,0,0|2,0,0]=4 23693 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [1,0,0,1,0,0|2,0,0]=4 23694 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [1,0,0,1,0,0|2,0,0]=4 23695 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [1,0,0,1,0,0|2,0,0]=4 23696 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [1,0,0,1,0,0|2,0,0]=4 23697 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [1,0,0,1,0,0|2,0,0]=4 23698 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [1,0,0,1,0,0|2,0,0]=4 23699 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [1,0,0,1,0,0|2,0,0]=4 23700 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [1,0,0,1,0,0|2,0,0]=4 23701 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [1,0,0,1,0,0|2,0,0]=4 23702 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [1,0,0,1,0,0|2,0,0]=4 23703 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [1,0,0,1,0,0|2,0,0]=4 23704 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [1,0,0,1,0,0|2,0,0]=4 23705 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [1,0,0,1,0,0|2,0,0]=4 23706 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [1,0,0,1,0,0|2,0,0]=4 23707 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [1,0,0,1,0,0|2,0,0]=4 23708 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [1,0,0,1,0,0|2,0,0]=4 23709 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [1,0,0,1,0,0|2,0,0]=4 23710 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [1,0,0,1,0,0|2,0,0]=4 23711 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [1,0,0,1,0,0|2,0,0]=4 23712 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [1,0,0,1,0,0|2,0,0]=4 23713 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [1,0,0,1,0,0|2,0,0]=4 23714 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [1,0,0,1,0,0|2,0,0]=4 23715 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [1,0,0,1,0,0|2,0,0]=4 23716 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [1,0,0,1,0,0|2,0,0]=4 23717 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [1,0,0,1,0,0|2,0,0]=4 23718 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [1,0,0,1,0,0|2,0,0]=4 23719 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [1,0,0,1,0,0|2,0,0]=4 23720 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [1,0,0,1,0,0|2,0,0]=4 23721 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [1,0,0,1,0,0|2,0,0]=4 23722 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [1,0,0,1,0,0|2,0,0]=4 23723 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [1,0,0,1,0,0|2,0,0]=4 23724 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [1,0,0,1,0,0|2,0,0]=4 23725 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [1,0,0,1,0,0|2,0,0]=4 23726 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [1,0,0,1,0,0|2,0,0]=4 23727 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [1,0,0,1,0,0|2,0,0]=4 23728 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [1,0,0,1,0,0|2,0,0]=4 23729 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [1,0,0,1,0,0|2,0,0]=4 23730 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [1,0,0,1,0,0|2,0,0]=4 23731 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [1,0,0,1,0,0|2,0,0]=4 23732 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [1,0,0,1,0,0|2,0,0]=4 23733 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [1,0,0,1,0,0|2,0,0]=4 23734 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [1,0,0,1,0,0|2,0,0]=4 23735 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [1,0,0,1,0,0|2,0,0]=4 23736 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [1,0,0,1,0,0|2,0,0]=4 23737 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|2,0,0]=4 23738 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [1,0,0,1,0,0|2,0,0]=4 23739 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [1,0,0,1,0,0|2,0,0]=4 23740 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [1,0,0,1,0,0|1,0,0]=3 23741 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [1,0,0,1,0,0|1,0,0]=3 23742 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [1,0,0,1,0,0|1,0,0]=3 23743 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [1,0,0,1,0,0|1,0,0]=3 23744 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|1,0,0]=3 23745 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [1,0,0,1,0,0|2,0,0]=4 23746 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [1,0,0,1,0,0|2,0,0]=4 23747 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [1,0,0,1,0,0|1,0,0]=3 23748 B10R1.57 OCCCCOC1CSC1 7a_100000072292_100000210776 [1,0,0,1,0,0|2,0,0]=4 23749 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [1,0,0,1,0,0|1,0,0]=3 23750 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [1,0,0,1,0,0|2,0,0]=4 23751 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [1,0,0,1,0,0|1,0,0]=3 23752 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [1,0,0,1,0,0|1,0,0]=3 23753 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [1,0,0,1,0,0|1,0,0]=3 23754 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [1,0,0,1,0,0|2,0,0]=4 23755 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [1,0,0,1,0,0|2,0,0]=4 23756 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [1,0,0,1,0,0|2,0,0]=4 23757 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [1,0,0,1,0,0|2,0,0]=4 23758 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [1,0,0,1,0,0|1,0,0]=3 23759 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [1,0,0,1,0,0|2,0,0]=4 23760 B10R1.57 OCCCOCC1CNC1 34a_100016987283_100000230001 [1,0,0,1,0,0|2,0,0]=4 23761 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [1,0,0,1,0,0|2,0,0]=4 23762 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [1,0,0,1,0,0|1,0,0]=3 23763 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [1,0,0,1,0,0|1,0,0]=3 23764 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [1,0,0,1,0,0|2,0,0]=4 23765 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [1,0,0,1,0,0|2,0,0]=4 23766 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [1,0,0,1,0,0|2,0,0]=4 23767 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [1,0,0,1,0,0|2,0,0]=4 23768 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [1,0,0,1,0,0|2,0,0]=4 23769 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [1,0,0,1,0,0|2,0,0]=4 23770 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|1,0,0]=3 23771 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|1,0,0]=3 23772 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|1,0,0]=3 23773 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|1,0,0]=3 23774 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|1,0,0]=3 23775 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|1,0,0]=3 23776 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|1,0,0]=3 23777 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|1,0,0]=3 23778 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|1,0,0]=3 23779 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 23780 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 23781 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 23782 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|1,0,0]=3 23783 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|1,0,0]=3 23784 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|1,0,0]=3 23785 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [1,0,0,1,0,0|2,0,0]=4 23786 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 23787 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,0]=3 23788 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 23789 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|1,0,0]=3 23790 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|1,0,0]=3 23791 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,0]=3 23792 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,0]=3 23793 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,0]=3 23794 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,0]=3 23795 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,0]=3 23796 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,0]=3 23797 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|1,0,0]=3 23798 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|1,0,0]=3 23799 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|1,0,0]=3 23800 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [1,0,0,1,0,0|2,0,0]=4 23801 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [1,0,0,1,0,0|2,0,0]=4 23802 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,0]=3 23803 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,0]=3 23804 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [1,0,0,1,0,0|2,0,0]=4 23805 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [1,0,0,1,0,0|2,0,0]=4 23806 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [1,0,0,1,0,0|2,0,0]=4 23807 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 23808 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 23809 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 23810 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [1,0,0,1,0,0|2,0,0]=4 23811 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 23812 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 23813 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [1,0,0,1,0,0|2,0,0]=4 23814 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [1,0,0,1,0,0|2,0,0]=4 23815 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [1,0,0,1,0,0|1,0,0]=3 23816 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [1,0,0,1,0,0|1,0,0]=3 23817 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [1,0,0,1,0,0|1,0,0]=3 23818 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [1,0,0,1,0,0|2,0,0]=4 23819 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [1,0,0,1,0,0|2,0,0]=4 23820 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [1,0,0,1,0,0|2,0,0]=4 23821 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,0]=3 23822 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,0]=3 23823 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|1,0,0]=3 23824 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|1,0,0]=3 23825 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,0]=3 23826 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,0]=3 23827 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [1,0,0,1,0,0|2,0,0]=4 23828 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [1,0,0,1,0,0|2,0,0]=4 23829 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [1,0,0,1,0,0|2,0,0]=4 23830 B10R1.132 COCC1CCN1CCO 2230a_100015195929_100000211926 [1,0,0,1,0,0|2,0,0]=4 23831 B10R1.132 COCC1CCN1CCO 269982a_100015195929_100000211926 [1,0,0,1,0,0|2,0,0]=4 23832 B10R1.132 COCC1CCN1CCO 34a_100015195929_100000211926 [1,0,0,1,0,0|2,0,0]=4 23833 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|1,0,0]=3 23834 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|1,0,0]=3 23835 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|1,0,0]=3 23836 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,0]=3 23837 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,0]=3 23838 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,0]=3 23839 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|1,0,0]=3 23840 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|1,0,0]=3 23841 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 23842 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 23843 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,0]=3 23844 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,0]=3 23845 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|1,0,0]=3 23846 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|1,0,0]=3 23847 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [1,0,0,1,0,0|2,0,0]=4 23848 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [1,0,0,1,0,0|2,0,0]=4 23849 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [1,0,0,1,0,0|2,0,0]=4 23850 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [1,0,0,1,0,0|2,0,0]=4 23851 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [1,0,0,1,0,0|2,0,0]=4 23852 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [1,0,0,1,0,0|2,0,0]=4 23853 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|1,0,0]=3 23854 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|1,0,0]=3 23855 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|1,0,0]=3 23856 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|1,0,0]=3 23857 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|1,0,0]=3 23858 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|1,0,0]=3 23859 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|1,0,0]=3 23860 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [1,0,0,1,0,0|1,0,0]=3 23861 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|1,0,0]=3 23862 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|1,0,0]=3 23863 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|1,0,0]=3 23864 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [1,0,0,1,0,0|1,0,0]=3 23865 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [1,0,0,1,0,0|1,0,0]=3 23866 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [1,0,0,1,0,0|1,1,0]=4 23867 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [1,0,0,1,0,0|1,0,0]=3 23868 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [1,0,0,1,0,0|1,0,0]=3 23869 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|1,0,0]=3 23870 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|1,0,0]=3 23871 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [1,0,0,1,0,0|1,0,0]=3 23872 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [1,0,0,1,0,0|1,0,0]=3 23873 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [1,0,0,1,0,0|1,1,0]=4 23874 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [1,0,0,1,0,0|1,1,0]=4 23875 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [1,0,0,1,0,0|1,0,0]=3 23876 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [1,0,0,1,0,0|1,0,0]=3 23877 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|1,0,0]=3 23878 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|1,0,0]=3 23879 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|1,0,0]=3 23880 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [1,0,0,1,0,0|1,0,0]=3 23881 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [1,0,0,1,0,0|1,0,0]=3 23882 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|1,0,0]=3 23883 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|1,0,0]=3 23884 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|1,0,0]=3 23885 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|1,0,0]=3 23886 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,0]=3 23887 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,0]=3 23888 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,0]=3 23889 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [1,0,0,1,0,0|2,0,0]=4 23890 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [1,0,0,1,0,0|2,0,0]=4 23891 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|1,0,0]=3 23892 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|1,0,0]=3 23893 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [1,0,0,1,0,0|1,0,0]=3 23894 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [1,0,0,1,0,0|1,0,0]=3 23895 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [1,0,0,1,0,0|1,0,0]=3 23896 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [1,0,0,1,0,0|2,0,0]=4 23897 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [1,0,0,1,0,0|2,0,0]=4 23898 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [1,0,0,1,0,0|2,0,0]=4 23899 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [1,0,0,1,0,0|2,0,0]=4 23900 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [1,0,0,1,0,0|2,0,0]=4 23901 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [1,0,0,1,0,0|1,0,0]=3 23902 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [1,0,0,1,0,0|1,0,0]=3 23903 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [1,0,0,1,0,0|2,0,0]=4 23904 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [1,0,0,1,0,0|2,0,0]=4 23905 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [1,0,0,1,0,0|2,0,0]=4 23906 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [1,0,0,1,0,0|2,0,0]=4 23907 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [1,0,0,1,0,0|2,0,0]=4 23908 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [1,0,0,1,0,0|2,0,0]=4 23909 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [1,0,0,1,0,0|2,0,0]=4 23910 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [1,0,0,1,0,0|2,0,0]=4 23911 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [1,0,0,1,0,0|2,0,0]=4 23912 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [1,0,0,1,0,0|2,0,0]=4 23913 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [1,0,0,1,0,0|2,0,0]=4 23914 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [1,0,0,1,0,0|2,0,0]=4 23915 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [1,0,0,1,0,0|2,0,0]=4 23916 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [1,0,0,1,0,0|2,0,0]=4 23917 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [1,0,0,1,0,0|2,0,0]=4 23918 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [1,0,0,1,0,0|2,0,0]=4 23919 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [1,0,0,1,0,0|2,0,0]=4 23920 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [1,0,0,1,0,0|2,0,0]=4 23921 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [1,0,0,1,0,0|2,0,0]=4 23922 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [1,0,0,1,0,0|2,0,0]=4 23923 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [1,0,0,1,0,0|2,0,0]=4 23924 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [1,0,0,1,0,0|2,0,0]=4 23925 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [1,0,0,1,0,0|2,0,0]=4 23926 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [1,0,0,1,0,0|2,0,0]=4 23927 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [1,0,0,1,0,0|2,0,0]=4 23928 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [1,0,0,1,0,0|2,0,0]=4 23929 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [1,0,0,1,0,0|2,0,0]=4 23930 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [1,0,0,1,0,0|2,0,0]=4 23931 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [1,0,0,1,0,0|2,0,0]=4 23932 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [1,0,0,1,0,0|2,0,0]=4 23933 B10R1.177 CCSCCNCC1CC1 2230a_100000106463_100000742324 [1,0,0,1,0,0|2,0,0]=4 23934 B10R1.177 CCSCCNCC1CC1 2230a_100000735609_100000757381 [1,0,0,1,0,0|2,0,0]=4 23935 B10R1.177 CCSCCNCC1CC1 269862a_100000106463_100000741477 [1,0,0,1,0,0|2,0,0]=4 23936 B10R1.177 CCSCCNCC1CC1 34a_100000735609_100000757381 [1,0,0,1,0,0|2,0,0]=4 23937 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [1,0,0,1,0,0|2,0,0]=4 23938 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [1,0,0,1,0,0|2,0,0]=4 23939 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [1,0,0,1,0,0|2,0,0]=4 23940 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [1,0,0,1,0,0|2,0,0]=4 23941 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [1,0,0,1,0,0|2,0,0]=4 23942 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [1,0,0,1,0,0|2,0,0]=4 23943 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [1,0,0,1,0,0|2,0,0]=4 23944 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [1,0,0,1,0,0|2,0,0]=4 23945 B10R1.177 CCSCCSCC1CC1 62a_100000756562_100000757381 [1,0,0,1,0,0|2,0,0]=4 23946 B10R1.177 CCSCCSCC1CC1 62a_100000757381_100000742324 [1,0,0,1,0,0|2,0,0]=4 23947 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [1,0,0,1,0,0|2,0,0]=4 23948 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [1,0,0,1,0,0|2,0,0]=4 23949 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [1,0,0,1,0,0|2,0,0]=4 23950 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [1,0,0,1,0,0|2,0,0]=4 23951 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [1,0,0,1,0,0|2,0,0]=4 23952 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [1,0,0,1,0,0|2,0,0]=4 23953 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [1,0,0,1,0,0|2,0,0]=4 23954 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [1,0,0,1,0,0|2,0,0]=4 23955 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [1,0,0,1,0,0|2,0,0]=4 23956 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [1,0,0,1,0,0|2,0,0]=4 23957 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [1,0,0,1,0,0|2,0,0]=4 23958 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [1,0,0,1,0,0|2,0,0]=4 23959 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [1,0,0,1,0,0|2,0,0]=4 23960 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [1,0,0,1,0,0|2,0,0]=4 23961 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [1,0,0,1,0,0|2,0,0]=4 23962 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [1,0,0,1,0,0|2,0,0]=4 23963 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [1,0,0,1,0,0|2,0,0]=4 23964 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [1,0,0,1,0,0|2,0,0]=4 23965 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [1,0,0,1,0,0|2,0,0]=4 23966 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [1,0,0,1,0,0|2,0,0]=4 23967 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [1,0,0,1,0,0|2,0,0]=4 23968 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [1,0,0,1,0,0|2,0,0]=4 23969 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [1,0,0,1,0,0|2,0,0]=4 23970 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [1,0,0,1,0,0|2,0,0]=4 23971 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [1,0,0,1,0,0|2,0,0]=4 23972 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [1,0,0,1,0,0|2,0,0]=4 23973 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [1,0,0,1,0,0|2,0,0]=4 23974 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [1,0,0,1,0,0|2,0,0]=4 23975 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [1,0,0,1,0,0|2,0,0]=4 23976 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [1,0,0,1,0,0|2,0,0]=4 23977 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [1,0,0,1,0,0|2,0,0]=4 23978 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [1,0,0,1,0,0|2,0,0]=4 23979 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [1,0,0,1,0,0|2,0,0]=4 23980 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [1,0,0,1,0,0|2,0,0]=4 23981 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [1,0,0,1,0,0|2,0,0]=4 23982 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [1,0,0,1,0,0|2,0,0]=4 23983 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [1,0,0,1,0,0|2,0,0]=4 23984 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [1,0,0,1,0,0|2,0,0]=4 23985 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [1,0,0,1,0,0|2,0,0]=4 23986 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [1,0,0,1,0,0|2,0,0]=4 23987 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [1,0,0,1,0,0|2,0,0]=4 23988 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [1,0,0,1,0,0|2,0,0]=4 23989 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [1,0,0,1,0,0|2,0,0]=4 23990 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [1,0,0,1,0,0|2,0,0]=4 23991 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [1,0,0,1,0,0|2,0,0]=4 23992 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [1,0,0,1,0,0|2,0,0]=4 23993 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [1,0,0,1,0,0|2,0,0]=4 23994 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [1,0,0,1,0,0|2,0,0]=4 23995 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [1,0,0,1,0,0|2,0,0]=4 23996 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [1,0,0,1,0,0|2,0,0]=4 23997 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [1,0,0,1,0,0|2,0,0]=4 23998 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [1,0,0,1,0,0|2,0,0]=4 23999 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [1,0,0,1,0,0|2,0,0]=4 24000 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [1,0,0,1,0,0|2,0,0]=4 24001 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [1,0,0,1,0,0|2,0,0]=4 24002 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [1,0,0,1,0,0|2,0,0]=4 24003 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [1,0,0,1,0,0|2,0,0]=4 24004 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [1,0,0,1,0,0|2,0,0]=4 24005 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [1,0,0,1,0,0|2,0,0]=4 24006 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [1,0,0,1,0,0|2,0,0]=4 24007 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [1,0,0,1,0,0|2,0,0]=4 24008 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [1,0,0,1,0,0|2,0,0]=4 24009 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [1,0,0,1,0,0|2,0,0]=4 24010 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [1,0,0,1,0,0|2,0,0]=4 24011 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [1,0,0,1,0,0|2,0,0]=4 24012 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [1,0,0,1,0,0|2,0,0]=4 24013 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 24014 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 24015 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [1,0,0,1,0,0|2,0,0]=4 24016 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [1,0,0,1,0,0|2,0,0]=4 24017 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [1,0,0,1,0,0|2,0,0]=4 24018 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [1,0,0,1,0,0|2,0,0]=4 24019 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [1,0,0,1,0,0|2,0,0]=4 24020 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [1,0,0,1,0,0|2,0,0]=4 24021 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [1,0,0,1,0,0|2,0,0]=4 24022 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [1,0,0,1,0,0|2,0,0]=4 24023 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [1,0,0,1,0,0|2,0,0]=4 24024 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [1,0,0,1,0,0|2,0,0]=4 24025 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [1,0,0,1,0,0|2,0,0]=4 24026 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [1,0,0,1,0,0|2,0,0]=4 24027 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [1,0,0,1,0,0|2,0,0]=4 24028 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [1,0,0,1,0,0|2,0,0]=4 24029 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [1,0,0,1,0,0|2,0,0]=4 24030 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [1,0,0,1,0,0|2,0,0]=4 24031 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [1,0,0,1,0,0|2,0,0]=4 24032 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [1,0,0,1,0,0|2,0,0]=4 24033 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [1,0,0,1,0,0|2,0,0]=4 24034 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [1,0,0,1,0,0|2,0,0]=4 24035 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [1,0,0,1,0,0|2,0,0]=4 24036 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [1,0,0,1,0,0|2,0,0]=4 24037 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [1,0,0,1,0,0|2,0,0]=4 24038 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [1,0,0,1,0,0|2,0,0]=4 24039 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [1,0,0,1,0,0|2,0,0]=4 24040 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [1,0,0,1,0,0|2,0,0]=4 24041 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [1,0,0,1,0,0|2,0,0]=4 24042 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [1,0,0,1,0,0|2,0,0]=4 24043 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [1,0,0,1,0,0|2,0,0]=4 24044 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [1,0,0,1,0,0|2,0,0]=4 24045 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [1,0,0,1,0,0|2,0,0]=4 24046 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [1,0,0,1,0,0|2,0,0]=4 24047 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [1,0,0,1,0,0|2,0,0]=4 24048 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [1,0,0,1,0,0|2,0,0]=4 24049 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [1,0,0,1,0,0|2,0,0]=4 24050 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [1,0,0,1,0,0|2,0,0]=4 24051 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [1,0,0,1,0,0|2,0,0]=4 24052 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [1,0,0,1,0,0|2,0,0]=4 24053 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [1,0,0,1,0,0|2,0,0]=4 24054 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [1,0,0,1,0,0|2,0,0]=4 24055 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|2,0,0]=4 24056 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|2,0,0]=4 24057 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [1,0,0,1,0,0|2,0,0]=4 24058 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [1,0,0,1,0,0|2,0,0]=4 24059 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [1,0,0,1,0,0|2,0,0]=4 24060 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [1,0,0,1,0,0|2,0,0]=4 24061 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [1,0,0,1,0,0|1,0,0]=3 24062 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|1,0,0]=3 24063 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [1,0,0,1,0,0|1,0,0]=3 24064 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [1,0,0,1,0,0|1,0,0]=3 24065 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [1,0,0,1,0,0|1,0,0]=3 24066 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [1,0,0,1,0,0|1,0,0]=3 24067 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [1,0,0,1,0,0|1,0,0]=3 24068 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|1,0,0]=3 24069 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [1,0,0,1,0,0|2,0,0]=4 24070 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [1,0,0,1,0,0|2,0,0]=4 24071 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [1,0,0,1,0,0|1,0,0]=3 24072 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [1,0,0,1,0,0|2,0,0]=4 24073 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [1,0,0,1,0,0|1,0,0]=3 24074 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [1,0,0,1,0,0|1,0,0]=3 24075 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 24076 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [1,0,0,1,0,0|2,0,0]=4 24077 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [1,0,0,1,0,0|2,0,0]=4 24078 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [1,0,0,1,0,0|2,0,0]=4 24079 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [1,0,0,1,0,0|2,0,0]=4 24080 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [1,0,0,1,0,0|2,0,0]=4 24081 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [1,0,0,1,0,0|1,0,0]=3 24082 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [1,0,0,1,0,0|1,0,0]=3 24083 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [1,0,0,1,0,0|1,0,0]=3 24084 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [1,0,0,1,0,0|2,0,0]=4 24085 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [1,0,0,1,0,0|1,0,0]=3 24086 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [1,0,0,1,0,0|1,0,0]=3 24087 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [1,0,0,1,0,0|2,0,0]=4 24088 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [1,0,0,1,0,0|2,0,0]=4 24089 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [1,0,0,1,0,0|2,0,0]=4 24090 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [1,0,0,1,0,0|2,0,0]=4 24091 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [1,0,0,1,0,0|2,0,0]=4 24092 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [1,0,0,1,0,0|2,0,0]=4 24093 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [1,0,0,1,0,0|2,0,0]=4 24094 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [1,0,0,1,0,0|2,0,0]=4 24095 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [1,0,0,1,0,0|2,0,0]=4 24096 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [1,0,0,1,0,0|2,0,0]=4 24097 B12R1.8 BrCCCCOC1CCCCC1 34a_100011216708_100000210327 [0,1,0,1,0,0|1,0,0]=3 24098 B12R1.8 BrCCCCOC1CCCOC1 34a_100011216708_100000693364 [0,1,0,1,0,0|2,0,0]=4 24099 B12R1.8 BrCCCCOC1CCSCC1 34a_100011216708_100000069128 [0,1,0,1,0,0|2,0,0]=4 24100 B12R1.8 BrCCCOCC1CCCCC1 34a_100011217188_100000211423 [0,1,0,1,0,0|1,0,0]=3 24101 B12R1.8 BrCCCOCC1CCCCO1 34a_100011217188_100000211543 [0,1,0,1,0,0|1,0,0]=3 24102 B12R1.8 BrCCCOCC1CCCOC1 34a_100011217188_100000741521 [0,1,0,1,0,0|2,0,0]=4 24103 B12R1.8 BrCCCOCC1CCOCC1 34a_100011217188_100000754603 [0,1,0,1,0,0|2,0,0]=4 24104 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [0,1,0,1,0,0|1,0,0]=3 24105 B12R1.8 BrCCOCCC1CCOCC1 34a_100000211926_100011934994 [0,1,0,1,0,0|2,0,0]=4 24106 B12R1.8 BrCCOCCC1OCCCO1 34a_100000211926_100000764188 [0,1,0,1,0,0|2,0,0]=4 24107 B12R1.8 BrCCOCCN1CCCCC1 34a_100000211926_100000739454 [0,1,0,1,0,0|2,0,0]=4 24108 B12R1.8 BrCCOCOC1CCCCC1 34a_100000211926_100011935260 [0,1,0,1,0,0|2,0,0]=4 24109 B12R1.8 C#CCCCNC1CCCCC1 2230a_100000182618_100000731252 [0,1,0,1,0,0|1,0,1]=4 24110 B12R1.8 C#CCCCNC1CCCCC1 270004a_100000718082_100000210434 [0,1,0,1,0,0|1,0,1]=4 24111 B12R1.8 C#CCCCNC1CCCCC1 34a_100000182618_100000695029 [0,1,0,1,0,0|1,0,1]=4 24112 B12R1.8 C#CCCCNC1CCCCC1 34a_100000718082_100000210327 [0,1,0,1,0,0|1,0,1]=4 24113 B12R1.8 C#CCCCOC1CCCCC1 34a_100000210231_100000695029 [0,1,0,1,0,0|1,0,1]=4 24114 B12R1.8 C#CCCCOC1CCCCC1 34a_100000215630_100000210327 [0,1,0,1,0,0|1,0,1]=4 24115 B12R1.8 C#CCCCOC1CCCCC1 7a_100000210231_100011215417 [0,1,0,1,0,0|1,0,1]=4 24116 B12R1.8 C#CCCCOC1CCCCC1 7a_100000215630_100000210327 [0,1,0,1,0,0|1,0,1]=4 24117 B12R1.8 C#CCCCOC1CCCCO1 34a_100000033831_100000695029 [0,1,0,1,0,0|0,0,2]=4 24118 B12R1.8 C#CCCCSC1CCCCC1 62a_100000210327_100011215417 [0,1,0,1,0,0|1,0,1]=4 24119 B12R1.8 C#CCCCSC1CCCCC1 62a_100011215417_100000210327 [0,1,0,1,0,0|1,0,1]=4 24120 B12R1.8 C#CCCNCC1CCCCC1 2230a_100000210473_100000688953 [0,1,0,1,0,0|1,0,1]=4 24121 B12R1.8 C#CCCNCC1CCCCC1 34a_100000210473_100000688953 [0,1,0,1,0,0|1,0,1]=4 24122 B12R1.8 C#CCCNCC1CCCCC1 34a_100000755551_100000211423 [0,1,0,1,0,0|1,0,1]=4 24123 B12R1.8 C#CCCNCC1CCCCO1 2230a_100000174945_100000688953 [0,1,0,1,0,0|0,0,2]=4 24124 B12R1.8 C#CCCNCC1CCCCO1 34a_100000174945_100000688953 [0,1,0,1,0,0|0,0,2]=4 24125 B12R1.8 C#CCCNCC1CCCCO1 34a_100000755551_100000211543 [0,1,0,1,0,0|0,0,2]=4 24126 B12R1.8 C#CCCOCC1CCCCC1 34a_100000212181_100000688953 [0,1,0,1,0,0|1,0,1]=4 24127 B12R1.8 C#CCCOCC1CCCCC1 34a_100011215631_100000211423 [0,1,0,1,0,0|1,0,1]=4 24128 B12R1.8 C#CCCOCC1CCCCC1 7a_100000212181_100000688953 [0,1,0,1,0,0|1,0,1]=4 24129 B12R1.8 C#CCCOCC1CCCCO1 34a_100000211370_100000688953 [0,1,0,1,0,0|0,0,2]=4 24130 B12R1.8 C#CCCOCC1CCCCO1 34a_100011215631_100000211543 [0,1,0,1,0,0|0,0,2]=4 24131 B12R1.8 C#CCCOCC1CCCCO1 7a_100000211370_100000688953 [0,1,0,1,0,0|0,0,2]=4 24132 B12R1.8 C#CCCSCC1CCCCC1 62a_100000211423_100000688953 [0,1,0,1,0,0|1,0,1]=4 24133 B12R1.8 C#CCCSCC1CCCCC1 62a_100000688953_100000211423 [0,1,0,1,0,0|1,0,1]=4 24134 B12R1.8 C#CCCSCC1CCCCO1 62a_100000211543_100000688953 [0,1,0,1,0,0|0,0,2]=4 24135 B12R1.8 C#CCCSCC1CCCCO1 62a_100000688953_100000211543 [0,1,0,1,0,0|0,0,2]=4 24136 B12R1.8 C#CCNCCC1CCCCC1 2230a_100000738074_100000038162 [0,1,0,1,0,0|1,0,1]=4 24137 B12R1.8 C#CCNCCC1CCCCC1 34a_100000212058_100011209188 [0,1,0,1,0,0|1,0,1]=4 24138 B12R1.8 C#CCNCCC1CCCCC1 34a_100000738074_100000184674 [0,1,0,1,0,0|1,0,1]=4 24139 B12R1.8 C#CCNCCC1CCCCO1 2230a_100015183643_100000038162 [0,1,0,1,0,0|0,0,2]=4 24140 B12R1.8 C#CCNCCC1CCCCO1 34a_100015183643_100000184674 [0,1,0,1,0,0|0,0,2]=4 24141 B12R1.8 C#CCOCCC1CCCCC1 34a_100000210247_100011209188 [0,1,0,1,0,0|1,0,1]=4 24142 B12R1.8 C#CCOCCC1CCCCC1 34a_100011217863_100000184674 [0,1,0,1,0,0|1,0,1]=4 24143 B12R1.8 C#CCOCCC1CCCCC1 7a_100011217863_100000038162 [0,1,0,1,0,0|1,0,1]=4 24144 B12R1.8 C#CCSCCC1CCCCC1 62a_100000038162_100012355289 [0,1,0,1,0,0|1,0,1]=4 24145 B12R1.8 C/C=C/CNCC1CCCCO1 34a_100000174945_100102629194 [0,1,0,1,0,0|0,0,2]=4 24146 B12R1.8 C/C=C/COCC1CCCCO1 34a_100000211370_100102629194 [0,1,0,1,0,0|0,0,2]=4 24147 B12R1.8 C/C=C/COCC1CCCCO1 34a_100016270725_100000211543 [0,1,0,1,0,0|0,0,2]=4 24148 B12R1.8 C/C=C/COCC1CCCCO1 7a_100000211370_100102629194 [0,1,0,1,0,0|0,0,2]=4 24149 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100000211543_100102629194 [0,1,0,1,0,0|0,0,2]=4 24150 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100102629194_100000211543 [0,1,0,1,0,0|0,0,2]=4 24151 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [0,1,0,1,0,0|1,0,1]=4 24152 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [0,1,0,1,0,0|1,0,1]=4 24153 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [0,1,0,1,0,0|1,0,1]=4 24154 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [0,1,0,1,0,0|1,0,1]=4 24155 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,1,0,1,0,0|1,0,1]=4 24156 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,1,0,1,0,0|1,0,1]=4 24157 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,1,0,1,0,0|1,0,1]=4 24158 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,1,0,1,0,0|1,0,1]=4 24159 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,1,0,1,0,0|0,0,2]=4 24160 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [0,1,0,1,0,0|1,0,1]=4 24161 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [0,1,0,1,0,0|1,0,1]=4 24162 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [0,1,0,1,0,0|1,0,1]=4 24163 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [0,1,0,1,0,0|1,0,1]=4 24164 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [0,1,0,1,0,0|1,0,1]=4 24165 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [0,1,0,1,0,0|1,0,1]=4 24166 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,1,0,1,0,0|0,0,2]=4 24167 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,1,0,1,0,0|0,0,2]=4 24168 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,1,0,1,0,0|0,0,2]=4 24169 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,1,0,1,0,0|1,0,1]=4 24170 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,1,0,1,0,0|1,0,1]=4 24171 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,1,0,1,0,0|1,0,1]=4 24172 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,1,0,1,0,0|0,0,2]=4 24173 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,1,0,1,0,0|0,0,2]=4 24174 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,1,0,1,0,0|0,0,2]=4 24175 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [0,1,0,1,0,0|1,0,1]=4 24176 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [0,1,0,1,0,0|1,0,1]=4 24177 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,1,0,1,0,0|0,0,2]=4 24178 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,1,0,1,0,0|0,0,2]=4 24179 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [0,1,0,1,0,0|1,0,1]=4 24180 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [0,1,0,1,0,0|1,0,1]=4 24181 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [0,1,0,1,0,0|1,0,1]=4 24182 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [0,1,0,1,0,0|1,0,1]=4 24183 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,1,0,1,0,0|0,0,2]=4 24184 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,1,0,1,0,0|0,0,2]=4 24185 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,1,0,1,0,0|1,0,1]=4 24186 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,1,0,1,0,0|1,0,1]=4 24187 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,1,0,1,0,0|1,0,1]=4 24188 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [0,1,0,1,0,0|1,0,1]=4 24189 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [0,1,0,1,0,0|1,0,1]=4 24190 B12R1.8 CC#CCNCC1CCCCO1 2230a_100000174945_100000748600 [0,1,0,1,0,0|0,0,2]=4 24191 B12R1.8 CC#CCNCC1CCCCO1 2230a_100000685387_100000211543 [0,1,0,1,0,0|0,0,2]=4 24192 B12R1.8 CC#CCNCC1CCCCO1 34a_100000174945_100000748600 [0,1,0,1,0,0|0,0,2]=4 24193 B12R1.8 CC#CCNCC1CCCCO1 34a_100000685387_100000211543 [0,1,0,1,0,0|0,0,2]=4 24194 B12R1.8 CC#CCOCC1CCCCO1 34a_100000211370_100000748600 [0,1,0,1,0,0|0,0,2]=4 24195 B12R1.8 CC#CCOCC1CCCCO1 34a_100000761923_100000211543 [0,1,0,1,0,0|0,0,2]=4 24196 B12R1.8 CC#CCOCC1CCCCO1 7a_100000211370_100000748600 [0,1,0,1,0,0|0,0,2]=4 24197 B12R1.8 CC#CCSCC1CCCCO1 62a_100000211543_100000748600 [0,1,0,1,0,0|0,0,2]=4 24198 B12R1.8 CC#CCSCC1CCCCO1 62a_100000748600_100000211543 [0,1,0,1,0,0|0,0,2]=4 24199 B12R1.8 CC/C=C\COC1CCCCO1 34a_100000033831_100103147603 [0,1,0,1,0,0|0,0,2]=4 24200 B12R1.8 CC=CCNCC1CCCCO1 2230a_100000174945_100000070051 [0,1,0,1,0,0|0,0,2]=4 24201 B12R1.8 CC=CCNCC1CCCCO1 34a_100000174945_100000070051 [0,1,0,1,0,0|0,0,2]=4 24202 B12R1.8 CC=CCOCC1CCCCO1 34a_100000211370_100000070051 [0,1,0,1,0,0|0,0,2]=4 24203 B12R1.8 CC=CCOCC1CCCCO1 7a_100000211370_100000070051 [0,1,0,1,0,0|0,0,2]=4 24204 B12R1.8 CC=CCSCC1CCCCO1 62a_100000070051_100000211543 [0,1,0,1,0,0|0,0,2]=4 24205 B12R1.8 CC=CCSCC1CCCCO1 62a_100000211543_100000070051 [0,1,0,1,0,0|0,0,2]=4 24206 B12R1.8 CCC#CCOC1CCCCO1 34a_100000033831_100009813939 [0,1,0,1,0,0|0,0,2]=4 24207 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [0,1,0,1,0,0|1,0,0]=3 24208 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [0,1,0,1,0,0|1,0,0]=3 24209 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [0,1,0,1,0,0|1,0,0]=3 24210 B12R1.8 CCCCCCN1CCOCC1 2230a_100015191051_100000210314 [0,1,0,1,0,0|2,0,0]=4 24211 B12R1.8 CCCCCCN1CCOCC1 269982a_100015191051_100000210757 [0,1,0,1,0,0|2,0,0]=4 24212 B12R1.8 CCCCCCN1CCOCC1 34a_100015191051_100000210314 [0,1,0,1,0,0|2,0,0]=4 24213 B12R1.8 CCCCCCN1CCSCC1 2230a_100000737611_100000210314 [0,1,0,1,0,0|2,0,0]=4 24214 B12R1.8 CCCCCCN1CCSCC1 269982a_100000737611_100000210757 [0,1,0,1,0,0|2,0,0]=4 24215 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,1,0,1,0,0|1,0,1]=4 24216 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [0,1,0,1,0,0|1,0,0]=3 24217 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [0,1,0,1,0,0|1,0,0]=3 24218 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [0,1,0,1,0,0|1,0,0]=3 24219 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [0,1,0,1,0,0|1,0,0]=3 24220 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [0,1,0,1,0,0|1,0,0]=3 24221 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [0,1,0,1,0,0|1,0,0]=3 24222 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [0,1,0,1,0,0|1,1,0]=4 24223 B12R1.8 CCCCCNC1CCNCC1 270004a_100000209983_100015192401 [0,1,0,1,0,0|2,0,0]=4 24224 B12R1.8 CCCCCNC1CCOCC1 2230a_100000741149_100000210326 [0,1,0,1,0,0|2,0,0]=4 24225 B12R1.8 CCCCCNC1CCOCC1 270004a_100000209983_100011217826 [0,1,0,1,0,0|2,0,0]=4 24226 B12R1.8 CCCCCNC1CCOCC1 34a_100000741149_100000718602 [0,1,0,1,0,0|2,0,0]=4 24227 B12R1.8 CCCCCNC1CCSCC1 2230a_100000748639_100000210326 [0,1,0,1,0,0|2,0,0]=4 24228 B12R1.8 CCCCCNC1CCSCC1 270004a_100000209983_100000203788 [0,1,0,1,0,0|2,0,0]=4 24229 B12R1.8 CCCCCNC1CCSCC1 34a_100000748639_100000718602 [0,1,0,1,0,0|2,0,0]=4 24230 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,1,0,1,0,0|1,0,1]=4 24231 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,1,0,1,0,0|1,0,1]=4 24232 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [0,1,0,1,0,0|1,0,0]=3 24233 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [0,1,0,1,0,0|1,0,0]=3 24234 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [0,1,0,1,0,0|1,0,0]=3 24235 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [0,1,0,1,0,0|1,0,0]=3 24236 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,1,0,1,0,0|0,0,0]=2 24237 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [0,1,0,1,0,0|1,0,0]=3 24238 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [0,1,0,1,0,0|1,0,0]=3 24239 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [0,1,0,1,0,0|1,0,0]=3 24240 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [0,1,0,1,0,0|1,1,0]=4 24241 B12R1.8 CCCCCOC1CCOCC1 34a_100000744328_100000718602 [0,1,0,1,0,0|2,0,0]=4 24242 B12R1.8 CCCCCOC1CCOCC1 7a_100000210253_100000686592 [0,1,0,1,0,0|2,0,0]=4 24243 B12R1.8 CCCCCOC1CCSCC1 34a_100000210253_100000069128 [0,1,0,1,0,0|2,0,0]=4 24244 B12R1.8 CCCCCOC1CCSCC1 34a_100000731022_100000718602 [0,1,0,1,0,0|2,0,0]=4 24245 B12R1.8 CCCCCOC1CCSCC1 7a_100000210253_100011500858 [0,1,0,1,0,0|2,0,0]=4 24246 B12R1.8 CCCCCOC1CCSCC1 7a_100000731022_100000210326 [0,1,0,1,0,0|2,0,0]=4 24247 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,1,0,1,0,0|1,0,1]=4 24248 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,1,0,1,0,0|1,0,1]=4 24249 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [0,1,0,1,0,0|1,0,0]=3 24250 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [0,1,0,1,0,0|1,0,0]=3 24251 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [0,1,0,1,0,0|1,0,0]=3 24252 B12R1.8 CCCCCSC1CCOCC1 62a_100000210326_100011324220 [0,1,0,1,0,0|2,0,0]=4 24253 B12R1.8 CCCCCSC1CCSCC1 62a_100000210326_100000069128 [0,1,0,1,0,0|2,0,0]=4 24254 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [0,1,0,1,0,0|1,0,0]=3 24255 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [0,1,0,1,0,0|1,0,0]=3 24256 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [0,1,0,1,0,0|1,0,0]=3 24257 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [0,1,0,1,0,0|1,0,0]=3 24258 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [0,1,0,1,0,0|1,0,0]=3 24259 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,1,0,1,0,0|0,0,0]=2 24260 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,1,0,1,0,0|0,0,0]=2 24261 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,1,0,1,0,0|0,0,0]=2 24262 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,1,0,1,0,0|0,0,0]=2 24263 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [0,1,0,1,0,0|1,0,0]=3 24264 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [0,1,0,1,0,0|1,0,0]=3 24265 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [0,1,0,1,0,0|1,0,0]=3 24266 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [0,1,0,1,0,0|1,0,0]=3 24267 B12R1.8 CCCCNCC1CCOCC1 2230a_100000102301_100000754603 [0,1,0,1,0,0|2,0,0]=4 24268 B12R1.8 CCCCNCC1CCOCC1 2230a_100000746373_100000210211 [0,1,0,1,0,0|2,0,0]=4 24269 B12R1.8 CCCCNCC1CCOCC1 269862a_100000102301_100000749017 [0,1,0,1,0,0|2,0,0]=4 24270 B12R1.8 CCCCNCC1CCOCC1 34a_100000746373_100000210210 [0,1,0,1,0,0|2,0,0]=4 24271 B12R1.8 CCCCNCC1CCOCC1 7a_106832991798_100000754603 [0,1,0,1,0,0|2,0,0]=4 24272 B12R1.8 CCCCNCC1CCSCC1 2230a_100015188806_100000210211 [0,1,0,1,0,0|2,0,0]=4 24273 B12R1.8 CCCCNCC1CCSCC1 269862a_100000102301_100000067145 [0,1,0,1,0,0|2,0,0]=4 24274 B12R1.8 CCCCNCC1CCSCC1 270004a_100000102301_100000067145 [0,1,0,1,0,0|2,0,0]=4 24275 B12R1.8 CCCCNCC1CCSCC1 34a_100015188806_100000210210 [0,1,0,1,0,0|2,0,0]=4 24276 B12R1.8 CCCCNC[C@H]1COCCO1 2230a_100010981119_100000210211 [0,1,0,1,0,0|1,0,0]=3 24277 B12R1.8 CCCCNC[C@H]1COCCO1 34a_100010981119_100000210210 [0,1,0,1,0,0|1,0,0]=3 24278 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,1,0,1,0,0|0,0,2]=4 24279 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [0,1,0,1,0,0|1,0,0]=3 24280 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [0,1,0,1,0,0|1,0,0]=3 24281 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [0,1,0,1,0,0|1,0,0]=3 24282 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [0,1,0,1,0,0|1,0,0]=3 24283 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [0,1,0,1,0,0|1,0,0]=3 24284 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,1,0,1,0,0|0,0,0]=2 24285 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,1,0,1,0,0|0,0,0]=2 24286 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,1,0,1,0,0|0,0,0]=2 24287 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,1,0,1,0,0|0,0,0]=2 24288 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [0,1,0,1,0,0|2,0,0]=4 24289 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [0,1,0,1,0,0|1,0,0]=3 24290 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [0,1,0,1,0,0|1,0,0]=3 24291 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [0,1,0,1,0,0|1,0,0]=3 24292 B12R1.8 CCCCOCC1CCNCC1 34a_100000738675_100000210210 [0,1,0,1,0,0|2,0,0]=4 24293 B12R1.8 CCCCOCC1CCOCC1 34a_100000210227_100000754603 [0,1,0,1,0,0|2,0,0]=4 24294 B12R1.8 CCCCOCC1CCOCC1 34a_100000749013_100000210210 [0,1,0,1,0,0|2,0,0]=4 24295 B12R1.8 CCCCOCC1CCOCC1 7a_100000210227_100000754603 [0,1,0,1,0,0|2,0,0]=4 24296 B12R1.8 CCCCOCC1CCSCC1 34a_100000070558_100000210210 [0,1,0,1,0,0|2,0,0]=4 24297 B12R1.8 CCCCOCC1CCSCC1 7a_100000070558_100000210211 [0,1,0,1,0,0|2,0,0]=4 24298 B12R1.8 CCCCOCN1CCCOC1 2230a_100000131196_100011995733 [0,1,0,1,0,0|2,0,0]=4 24299 B12R1.8 CCCCOCN1CCCOC1 269982a_100000131196_100011995733 [0,1,0,1,0,0|2,0,0]=4 24300 B12R1.8 CCCCOCN1CCCOC1 34a_100000131196_100011995733 [0,1,0,1,0,0|2,0,0]=4 24301 B12R1.8 CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210210 [0,1,0,1,0,0|1,0,0]=3 24302 B12R1.8 CCCCOC[C@@H]1COCCN1 34a_100000717676_100000210210 [0,1,0,1,0,0|2,0,0]=4 24303 B12R1.8 CCCCOC[C@H]1COCCO1 34a_100009875890_100000210210 [0,1,0,1,0,0|1,0,0]=3 24304 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [0,1,0,1,0,0|1,0,0]=3 24305 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [0,1,0,1,0,0|1,0,0]=3 24306 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,1,0,1,0,0|0,0,0]=2 24307 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,1,0,1,0,0|0,0,0]=2 24308 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [0,1,0,1,0,0|1,0,0]=3 24309 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [0,1,0,1,0,0|1,0,0]=3 24310 B12R1.8 CCCCSCC1CCOCC1 62a_100000210211_100000749018 [0,1,0,1,0,0|2,0,0]=4 24311 B12R1.8 CCCCSCC1CCOCC1 62a_100000754603_100000210210 [0,1,0,1,0,0|2,0,0]=4 24312 B12R1.8 CCCNCCC1=CCCCC1 2230a_100000212019_100000210303 [0,1,0,1,0,0|1,0,1]=4 24313 B12R1.8 CCCNCCC1=CCCCC1 34a_100000212019_100000210303 [0,1,0,1,0,0|1,0,1]=4 24314 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [0,1,0,1,0,0|1,0,0]=3 24315 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [0,1,0,1,0,0|1,0,0]=3 24316 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [0,1,0,1,0,0|1,0,0]=3 24317 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,1,0,1,0,0|0,0,0]=2 24318 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,1,0,1,0,0|0,0,0]=2 24319 B12R1.8 CCCNCCC1CCOCC1 2230a_100000755988_100000210303 [0,1,0,1,0,0|2,0,0]=4 24320 B12R1.8 CCCNCCC1CCOCC1 34a_100000755988_100000210303 [0,1,0,1,0,0|2,0,0]=4 24321 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [0,1,0,1,0,0|1,0,0]=3 24322 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [0,1,0,1,0,0|1,0,0]=3 24323 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [0,1,0,1,0,0|1,0,0]=3 24324 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [0,1,0,1,0,0|1,0,0]=3 24325 B12R1.8 CCCOCCC1CCCNC1 34a_100000752241_100000210303 [0,1,0,1,0,0|2,0,0]=4 24326 B12R1.8 CCCOCCC1CCNCC1 34a_100015190746_100000210303 [0,1,0,1,0,0|2,0,0]=4 24327 B12R1.8 CCCOCCC1CCOCC1 34a_100000210258_100011934994 [0,1,0,1,0,0|2,0,0]=4 24328 B12R1.8 CCCOCCC1CCOCC1 34a_100011933979_100000210303 [0,1,0,1,0,0|2,0,0]=4 24329 B12R1.8 CCCOCCC1CCOCC1 7a_100011933979_100000210303 [0,1,0,1,0,0|2,0,0]=4 24330 B12R1.8 CCCOCCC1OCCCO1 34a_100000210258_100000764188 [0,1,0,1,0,0|1,0,0]=3 24331 B12R1.8 CCCOCCC1SCCCS1 34a_200011025297_100000210303 [0,1,0,1,0,0|1,1,0]=4 24332 B12R1.8 CCCOCCC1SCCCS1 7a_200011025297_100000210303 [0,1,0,1,0,0|1,1,0]=4 24333 B12R1.8 CCCOCCN1CCCCC1 34a_100000210258_100000739454 [0,1,0,1,0,0|2,0,0]=4 24334 B12R1.8 CCCOCCN1CCCOC1 2230a_100000131196_100011215938 [0,1,0,1,0,0|2,0,0]=4 24335 B12R1.8 CCCOCCN1CCCOC1 269982a_100000131196_100011215938 [0,1,0,1,0,0|2,0,0]=4 24336 B12R1.8 CCCOCCN1CCCOC1 34a_100000131196_100011215938 [0,1,0,1,0,0|2,0,0]=4 24337 B12R1.8 CCCOCC[C@@H]1CNCCN1 34a_100016989929_100000210303 [0,1,0,1,0,0|2,0,0]=4 24338 B12R1.8 CCCOCOC1CCCCC1 34a_100000210258_100011935260 [0,1,0,1,0,0|2,0,0]=4 24339 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [0,1,0,1,0,0|1,0,0]=3 24340 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [0,1,0,1,0,0|1,0,0]=3 24341 B12R1.8 CCCSCCC1CCOCC1 62a_100000210303_100011934994 [0,1,0,1,0,0|2,0,0]=4 24342 B12R1.8 CCCSCCC1CCOCC1 62a_100011934994_100000210303 [0,1,0,1,0,0|2,0,0]=4 24343 B12R1.8 CCCSCCC1OCCCO1 62a_100000210303_100000764188 [0,1,0,1,0,0|1,0,0]=3 24344 B12R1.8 CCCSCCC1OCCCO1 62a_100000764188_100000210303 [0,1,0,1,0,0|1,0,0]=3 24345 B12R1.8 CCCSCCN1CCCCC1 62a_100000210303_100000739454 [0,1,0,1,0,0|2,0,0]=4 24346 B12R1.8 CCCSCCN1CCCCC1 62a_100000739454_100000210303 [0,1,0,1,0,0|2,0,0]=4 24347 B12R1.8 CCCSCOC1CCCCC1 62a_100000210303_100011935260 [0,1,0,1,0,0|2,0,0]=4 24348 B12R1.8 CCCSCOC1CCCCC1 62a_100011935260_100000210303 [0,1,0,1,0,0|2,0,0]=4 24349 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [0,1,0,1,0,0|1,0,0]=3 24350 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [0,1,0,1,0,0|1,0,0]=3 24351 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [0,1,0,1,0,0|1,0,0]=3 24352 B12R1.8 CCNCCCN1CCCCC1 2230a_100015525214_100000690320 [0,1,0,1,0,0|2,0,0]=4 24353 B12R1.8 CCNCCOC1CCCCC1 2230a_100015525214_100011211530 [0,1,0,1,0,0|2,0,0]=4 24354 B12R1.8 CCNCCOC1CCCCC1 34a_100015206981_100000210202 [0,1,0,1,0,0|2,0,0]=4 24355 B12R1.8 CCNCCOC1CCCCO1 2230a_100015525214_100000744793 [0,1,0,1,0,0|1,0,0]=3 24356 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [0,1,0,1,0,0|1,0,0]=3 24357 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [0,1,0,1,0,0|1,0,0]=3 24358 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [0,1,0,1,0,0|1,0,0]=3 24359 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [0,1,0,1,0,0|1,0,0]=3 24360 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [0,1,0,1,0,0|2,0,0]=4 24361 B12R1.8 CCOCCCC1CCNCC1 34a_100016988962_100000210202 [0,1,0,1,0,0|2,0,0]=4 24362 B12R1.8 CCOCCCN1CCCCC1 34a_100000212458_100000210202 [0,1,0,1,0,0|2,0,0]=4 24363 B12R1.8 CCOCCCN1CCCCC1 34a_100121572206_100000690320 [0,1,0,1,0,0|2,0,0]=4 24364 B12R1.8 CCOCCCN1CCCOC1 2230a_100000131196_100012232248 [0,1,0,1,0,0|2,0,0]=4 24365 B12R1.8 CCOCCCN1CCCOC1 269982a_100000131196_100012232248 [0,1,0,1,0,0|2,0,0]=4 24366 B12R1.8 CCOCCCN1CCCOC1 34a_100000131196_100012232248 [0,1,0,1,0,0|2,0,0]=4 24367 B12R1.8 CCOCCNC1CCCCC1 2230a_100000182618_100011215890 [0,1,0,1,0,0|2,0,0]=4 24368 B12R1.8 CCOCCNC1CCCCC1 270004a_102516460346_100000210434 [0,1,0,1,0,0|2,0,0]=4 24369 B12R1.8 CCOCCNC1CCCCC1 34a_100000182618_100000210147 [0,1,0,1,0,0|2,0,0]=4 24370 B12R1.8 CCOCCNC1CCCCC1 34a_100000200466_100000210202 [0,1,0,1,0,0|2,0,0]=4 24371 B12R1.8 CCOCCNC1CCCCC1 34a_102516460346_100000210327 [0,1,0,1,0,0|2,0,0]=4 24372 B12R1.8 CCOCCNC1CCCOC1 2230a_100000719290_100011215890 [0,1,0,1,0,0|2,0,0]=4 24373 B12R1.8 CCOCCNC1CCCOC1 270004a_102516460346_100000753404 [0,1,0,1,0,0|2,0,0]=4 24374 B12R1.8 CCOCCNC1CCCOC1 34a_100000719290_100000210147 [0,1,0,1,0,0|2,0,0]=4 24375 B12R1.8 CCOCCNC1CCCOC1 34a_102516460346_100000693364 [0,1,0,1,0,0|2,0,0]=4 24376 B12R1.8 CCOCCOC1CCCCC1 34a_100000210136_100000210327 [0,1,0,1,0,0|2,0,0]=4 24377 B12R1.8 CCOCCOC1CCCCC1 34a_100000210231_100000210147 [0,1,0,1,0,0|2,0,0]=4 24378 B12R1.8 CCOCCOC1CCCCC1 34a_100011249652_100000210202 [0,1,0,1,0,0|2,0,0]=4 24379 B12R1.8 CCOCCOC1CCCCC1 34a_100121572206_100011211530 [0,1,0,1,0,0|2,0,0]=4 24380 B12R1.8 CCOCCOC1CCCCC1 7a_100000210136_100000210327 [0,1,0,1,0,0|2,0,0]=4 24381 B12R1.8 CCOCCOC1CCCCC1 7a_100000210231_100011215890 [0,1,0,1,0,0|2,0,0]=4 24382 B12R1.8 CCOCCOC1CCCCC1 7a_100011249652_100000210202 [0,1,0,1,0,0|2,0,0]=4 24383 B12R1.8 CCOCCOC1CCCCO1 34a_100000033831_100000210147 [0,1,0,1,0,0|1,0,0]=3 24384 B12R1.8 CCOCCOC1CCCCO1 34a_100000034223_100000210202 [0,1,0,1,0,0|1,0,0]=3 24385 B12R1.8 CCOCCOC1CCCCO1 34a_100121572206_100000744793 [0,1,0,1,0,0|1,0,0]=3 24386 B12R1.8 CCOCCOC1CCCCO1 7a_100000034223_100000210202 [0,1,0,1,0,0|1,0,0]=3 24387 B12R1.8 CCOCCOC1CCCOC1 34a_100000210136_100000693364 [0,1,0,1,0,0|2,0,0]=4 24388 B12R1.8 CCOCCOC1CCCOC1 34a_100000754041_100000210147 [0,1,0,1,0,0|2,0,0]=4 24389 B12R1.8 CCOCCOC1CCCOC1 7a_100000210136_100000693364 [0,1,0,1,0,0|2,0,0]=4 24390 B12R1.8 CCOCCSC1CCCCC1 62a_100000210147_100000210327 [0,1,0,1,0,0|2,0,0]=4 24391 B12R1.8 CCOCCSC1CCCCC1 62a_100000210327_100011215890 [0,1,0,1,0,0|2,0,0]=4 24392 B12R1.8 CCOCCSC1CCCOC1 62a_100000210147_100000693364 [0,1,0,1,0,0|2,0,0]=4 24393 B12R1.8 CCOCSCC1CCCCC1 62a_100000211423_100000739092 [0,1,0,1,0,0|2,0,0]=4 24394 B12R1.8 CCOCSCC1CCCCC1 62a_100000739092_100000211423 [0,1,0,1,0,0|2,0,0]=4 24395 B12R1.8 CCOCSCC1CCCCO1 62a_100000211543_100000739092 [0,1,0,1,0,0|1,0,0]=3 24396 B12R1.8 CCOCSCC1CCCCO1 62a_100000739092_100000211543 [0,1,0,1,0,0|1,0,0]=3 24397 B12R1.8 CCOCSCC1CCCOC1 62a_100000739092_100000741521 [0,1,0,1,0,0|2,0,0]=4 24398 B12R1.8 CCOCSCC1CCCOC1 62a_100000741521_100000739092 [0,1,0,1,0,0|2,0,0]=4 24399 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [0,1,0,1,0,0|1,0,0]=3 24400 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [0,1,0,1,0,0|1,0,0]=3 24401 B12R1.8 CCSCCCN1CCCCC1 62a_100000210202_100000007876 [0,1,0,1,0,0|2,0,0]=4 24402 B12R1.8 CCSCCCN1CCCCC1 62a_100132302099_100000210202 [0,1,0,1,0,0|2,0,0]=4 24403 B12R1.8 CCSCCNC1CCCCC1 2230a_100000182618_100000757381 [0,1,0,1,0,0|2,0,0]=4 24404 B12R1.8 CCSCCNC1CCCCC1 270004a_100000106463_100000210434 [0,1,0,1,0,0|2,0,0]=4 24405 B12R1.8 CCSCCNC1CCCCC1 34a_100000182618_100000757381 [0,1,0,1,0,0|2,0,0]=4 24406 B12R1.8 CCSCCNC1CCCOC1 2230a_100000719290_100000757381 [0,1,0,1,0,0|2,0,0]=4 24407 B12R1.8 CCSCCNC1CCCOC1 270004a_100000106463_100000753404 [0,1,0,1,0,0|2,0,0]=4 24408 B12R1.8 CCSCCNC1CCCOC1 34a_100000719290_100000757381 [0,1,0,1,0,0|2,0,0]=4 24409 B12R1.8 CCSCCOC1CCCCC1 34a_100000210231_100000757381 [0,1,0,1,0,0|2,0,0]=4 24410 B12R1.8 CCSCCOC1CCCCC1 34a_100000212035_100000210327 [0,1,0,1,0,0|2,0,0]=4 24411 B12R1.8 CCSCCOC1CCCCC1 62a_100000210202_100011211530 [0,1,0,1,0,0|2,0,0]=4 24412 B12R1.8 CCSCCOC1CCCCC1 62a_100011211530_100000210202 [0,1,0,1,0,0|2,0,0]=4 24413 B12R1.8 CCSCCOC1CCCCC1 7a_100000210231_100000757381 [0,1,0,1,0,0|2,0,0]=4 24414 B12R1.8 CCSCCOC1CCCCC1 7a_100000212035_100000210327 [0,1,0,1,0,0|2,0,0]=4 24415 B12R1.8 CCSCCOC1CCCCO1 34a_100000033831_100000757381 [0,1,0,1,0,0|1,0,0]=3 24416 B12R1.8 CCSCCOC1CCCCO1 62a_100000210202_100000744793 [0,1,0,1,0,0|1,0,0]=3 24417 B12R1.8 CCSCCOC1CCCCO1 62a_100000744793_100000210202 [0,1,0,1,0,0|1,0,0]=3 24418 B12R1.8 CCSCCOC1CCCOC1 34a_100000212035_100000693364 [0,1,0,1,0,0|2,0,0]=4 24419 B12R1.8 CCSCCOC1CCCOC1 34a_100000754041_100000757381 [0,1,0,1,0,0|2,0,0]=4 24420 B12R1.8 CCSCCOC1CCCOC1 7a_100000212035_100000693364 [0,1,0,1,0,0|2,0,0]=4 24421 B12R1.8 CCSCCSC1CCCCC1 62a_100000210327_100000757381 [0,1,0,1,0,0|2,0,0]=4 24422 B12R1.8 CCSCCSC1CCCCC1 62a_100000757381_100000210327 [0,1,0,1,0,0|2,0,0]=4 24423 B12R1.8 CCSCCSC1CCCOC1 62a_100000757381_100000693364 [0,1,0,1,0,0|2,0,0]=4 24424 B12R1.8 CNCCCOC1CCCCC1 34a_100000205933_200000210301 [0,1,0,1,0,0|2,0,0]=4 24425 B12R1.8 CNCCCOC1CCCCC1 34a_100000213112_100000210327 [0,1,0,1,0,0|2,0,0]=4 24426 B12R1.8 CNCCCOC1CCCCO1 2230a_106832991635_100000700653 [0,1,0,1,0,0|1,0,0]=3 24427 B12R1.8 CNCCCOC1CCCCO1 34a_100102657272_100000700653 [0,1,0,1,0,0|1,0,0]=3 24428 B12R1.8 CNCCCOC1CCCCO1 7a_106832991635_100000700653 [0,1,0,1,0,0|1,0,0]=3 24429 B12R1.8 CNCCCOC1CCCOC1 34a_100000213112_100000693364 [0,1,0,1,0,0|2,0,0]=4 24430 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,1,0,1,0,0|0,0,0]=2 24431 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,1,0,1,0,0|0,0,0]=2 24432 B12R1.8 COCCCCC1CCNCC1 34a_100016989291_200000210301 [0,1,0,1,0,0|1,0,0]=3 24433 B12R1.8 COCCCCN1CCCOC1 2230a_100000131196_100000730899 [0,1,0,1,0,0|2,0,0]=4 24434 B12R1.8 COCCCCN1CCCOC1 269982a_100000131196_100000730899 [0,1,0,1,0,0|2,0,0]=4 24435 B12R1.8 COCCCCN1CCCOC1 34a_100000131196_100000755781 [0,1,0,1,0,0|2,0,0]=4 24436 B12R1.8 COCCCCN1CCOCC1 2230a_100015191051_100000730899 [0,1,0,1,0,0|2,0,0]=4 24437 B12R1.8 COCCCCN1CCOCC1 269982a_100015191051_100000730899 [0,1,0,1,0,0|2,0,0]=4 24438 B12R1.8 COCCCCN1CCOCC1 34a_100000723369_200000210301 [0,1,0,1,0,0|2,0,0]=4 24439 B12R1.8 COCCCCN1CCOCC1 34a_100015191051_100000755781 [0,1,0,1,0,0|2,0,0]=4 24440 B12R1.8 COCCCCN1CCSCC1 2230a_100000737611_100000730899 [0,1,0,1,0,0|2,0,0]=4 24441 B12R1.8 COCCCCN1CCSCC1 269982a_100000737611_100000730899 [0,1,0,1,0,0|2,0,0]=4 24442 B12R1.8 COCCCNC1CCCCC1 2230a_100000182618_100000740836 [0,1,0,1,0,0|1,0,0]=3 24443 B12R1.8 COCCCNC1CCCCC1 270004a_100150723488_100000210434 [0,1,0,1,0,0|1,0,0]=3 24444 B12R1.8 COCCCNC1CCCCC1 34a_100000182618_100000740836 [0,1,0,1,0,0|1,0,0]=3 24445 B12R1.8 COCCCNC1CCCCC1 34a_100150723488_100000210327 [0,1,0,1,0,0|1,0,0]=3 24446 B12R1.8 COCCCNC1CCCOC1 2230a_100000719290_100000740836 [0,1,0,1,0,0|2,0,0]=4 24447 B12R1.8 COCCCNC1CCCOC1 270004a_100150723488_100000753404 [0,1,0,1,0,0|2,0,0]=4 24448 B12R1.8 COCCCNC1CCCOC1 34a_100000719290_100000740836 [0,1,0,1,0,0|2,0,0]=4 24449 B12R1.8 COCCCNC1CCCOC1 34a_100150723488_100000693364 [0,1,0,1,0,0|2,0,0]=4 24450 B12R1.8 COCCCNC1CCCSC1 270004a_100150723488_100000057913 [0,1,0,1,0,0|2,0,0]=4 24451 B12R1.8 COCCCNC1CCNCC1 270004a_100150723488_100015192401 [0,1,0,1,0,0|2,0,0]=4 24452 B12R1.8 COCCCNC1CCOCC1 2230a_100000741149_100000740836 [0,1,0,1,0,0|2,0,0]=4 24453 B12R1.8 COCCCNC1CCOCC1 270004a_100150723488_100011217826 [0,1,0,1,0,0|2,0,0]=4 24454 B12R1.8 COCCCNC1CCOCC1 34a_100000741149_100000740836 [0,1,0,1,0,0|2,0,0]=4 24455 B12R1.8 COCCCNC1CCSCC1 2230a_100000748639_100000740836 [0,1,0,1,0,0|2,0,0]=4 24456 B12R1.8 COCCCNC1CCSCC1 270004a_100150723488_100000203788 [0,1,0,1,0,0|2,0,0]=4 24457 B12R1.8 COCCCNC1CCSCC1 34a_100000748639_100000740836 [0,1,0,1,0,0|2,0,0]=4 24458 B12R1.8 COCCCNC1CCSCC1 34a_100150723488_100000069128 [0,1,0,1,0,0|2,0,0]=4 24459 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [0,1,0,1,0,0|1,0,0]=3 24460 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [0,1,0,1,0,0|1,0,0]=3 24461 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [0,1,0,1,0,0|1,0,0]=3 24462 B12R1.8 COCCCOC1CCCCO1 34a_100000033831_100000740836 [0,1,0,1,0,0|1,0,0]=3 24463 B12R1.8 COCCCOC1CCCCO1 34a_100138415774_100000700653 [0,1,0,1,0,0|1,0,0]=3 24464 B12R1.8 COCCCOC1CCCOC1 34a_100000740835_100000693364 [0,1,0,1,0,0|2,0,0]=4 24465 B12R1.8 COCCCOC1CCCOC1 34a_100000754041_100000740836 [0,1,0,1,0,0|2,0,0]=4 24466 B12R1.8 COCCCOC1CCCSC1 7a_100015962668_100000740836 [0,1,0,1,0,0|2,0,0]=4 24467 B12R1.8 COCCCOC1CCOCC1 34a_100000744328_100000740836 [0,1,0,1,0,0|2,0,0]=4 24468 B12R1.8 COCCCOC1CCSCC1 34a_100000731022_100000740836 [0,1,0,1,0,0|2,0,0]=4 24469 B12R1.8 COCCCOC1CCSCC1 34a_100000740835_100000069128 [0,1,0,1,0,0|2,0,0]=4 24470 B12R1.8 COCCCOC1CCSCC1 7a_100000731022_100000740836 [0,1,0,1,0,0|2,0,0]=4 24471 B12R1.8 COCCCSC1CCCCC1 62a_100000210327_100000709357 [0,1,0,1,0,0|1,0,0]=3 24472 B12R1.8 COCCCSC1CCCCC1 62a_100000709357_100000210327 [0,1,0,1,0,0|1,0,0]=3 24473 B12R1.8 COCCCSC1CCCOC1 62a_100000709357_100000693364 [0,1,0,1,0,0|2,0,0]=4 24474 B12R1.8 COCCCSC1CCOCC1 62a_100000709357_100011324220 [0,1,0,1,0,0|2,0,0]=4 24475 B12R1.8 COCCCSC1CCSCC1 62a_100000709357_100000069128 [0,1,0,1,0,0|2,0,0]=4 24476 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [0,1,0,1,0,0|1,0,0]=3 24477 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [0,1,0,1,0,0|1,0,0]=3 24478 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [0,1,0,1,0,0|1,0,0]=3 24479 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [0,1,0,1,0,0|1,0,0]=3 24480 B12R1.8 COCCNCC1CCCCO1 2230a_100000174945_100011201679 [0,1,0,1,0,0|1,0,0]=3 24481 B12R1.8 COCCNCC1CCCCO1 2230a_100000209980_100000211543 [0,1,0,1,0,0|1,0,0]=3 24482 B12R1.8 COCCNCC1CCCCO1 34a_100000174945_100011201679 [0,1,0,1,0,0|1,0,0]=3 24483 B12R1.8 COCCNCC1CCCOC1 2230a_100000209980_100000741521 [0,1,0,1,0,0|2,0,0]=4 24484 B12R1.8 COCCNCC1CCCOC1 2230a_100000720124_100011201679 [0,1,0,1,0,0|2,0,0]=4 24485 B12R1.8 COCCNCC1CCCOC1 34a_100000720124_100011201679 [0,1,0,1,0,0|2,0,0]=4 24486 B12R1.8 COCCNCC1CCOCC1 2230a_100000209980_100000754603 [0,1,0,1,0,0|2,0,0]=4 24487 B12R1.8 COCCNCC1CCOCC1 2230a_100000746373_100011201679 [0,1,0,1,0,0|2,0,0]=4 24488 B12R1.8 COCCNCC1CCOCC1 269862a_100000209980_100000749017 [0,1,0,1,0,0|2,0,0]=4 24489 B12R1.8 COCCNCC1CCOCC1 34a_100000746373_100011201679 [0,1,0,1,0,0|2,0,0]=4 24490 B12R1.8 COCCNCC1CCSCC1 2230a_100015188806_100011201679 [0,1,0,1,0,0|2,0,0]=4 24491 B12R1.8 COCCNCC1CCSCC1 269862a_100000209980_100000067145 [0,1,0,1,0,0|2,0,0]=4 24492 B12R1.8 COCCNCC1CCSCC1 270004a_100000209980_100000067145 [0,1,0,1,0,0|2,0,0]=4 24493 B12R1.8 COCCNCC1CCSCC1 34a_100015188806_100011201679 [0,1,0,1,0,0|2,0,0]=4 24494 B12R1.8 COCCNC[C@H]1COCCO1 2230a_100010981119_100011201679 [0,1,0,1,0,0|2,0,0]=4 24495 B12R1.8 COCCNC[C@H]1COCCO1 34a_100010981119_100011201679 [0,1,0,1,0,0|2,0,0]=4 24496 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [0,1,0,1,0,0|1,0,0]=3 24497 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [0,1,0,1,0,0|1,0,0]=3 24498 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [0,1,0,1,0,0|1,0,0]=3 24499 B12R1.8 COCCOCC1CCCCN1 34a_100000210821_100011201679 [0,1,0,1,0,0|2,0,0]=4 24500 B12R1.8 COCCOCC1CCCCO1 34a_100000210237_100000211543 [0,1,0,1,0,0|1,0,0]=3 24501 B12R1.8 COCCOCC1CCCCO1 34a_100000211370_100011201679 [0,1,0,1,0,0|1,0,0]=3 24502 B12R1.8 COCCOCC1CCCCO1 7a_100000211370_100000233755 [0,1,0,1,0,0|1,0,0]=3 24503 B12R1.8 COCCOCC1CCCNC1 34a_100000211344_100011201679 [0,1,0,1,0,0|2,0,0]=4 24504 B12R1.8 COCCOCC1CCCOC1 34a_100000210237_100000741521 [0,1,0,1,0,0|2,0,0]=4 24505 B12R1.8 COCCOCC1CCCOC1 34a_100000741520_100011201679 [0,1,0,1,0,0|2,0,0]=4 24506 B12R1.8 COCCOCC1CCNCC1 34a_100000738675_100011201679 [0,1,0,1,0,0|2,0,0]=4 24507 B12R1.8 COCCOCC1CCOCC1 34a_100000210237_100000754603 [0,1,0,1,0,0|2,0,0]=4 24508 B12R1.8 COCCOCC1CCOCC1 34a_100000749013_100011201679 [0,1,0,1,0,0|2,0,0]=4 24509 B12R1.8 COCCOCC1CCSCC1 34a_100000070558_100011201679 [0,1,0,1,0,0|2,0,0]=4 24510 B12R1.8 COCCOCC1CCSCC1 7a_100000070558_100000233755 [0,1,0,1,0,0|2,0,0]=4 24511 B12R1.8 COCCOC[C@@H]1CNCCO1 34a_100015189573_100011201679 [0,1,0,1,0,0|2,0,0]=4 24512 B12R1.8 COCCOC[C@H]1COCCO1 34a_100009875890_100011201679 [0,1,0,1,0,0|2,0,0]=4 24513 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [0,1,0,1,0,0|1,0,0]=3 24514 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [0,1,0,1,0,0|1,0,0]=3 24515 B12R1.8 COCCSCC1CCCCO1 62a_100000211543_100000233755 [0,1,0,1,0,0|1,0,0]=3 24516 B12R1.8 COCCSCC1CCCCO1 62a_100000233755_100000211543 [0,1,0,1,0,0|1,0,0]=3 24517 B12R1.8 COCCSCC1CCCOC1 62a_100000233755_100000741521 [0,1,0,1,0,0|2,0,0]=4 24518 B12R1.8 COCCSCC1CCCOC1 62a_100000741521_100000233755 [0,1,0,1,0,0|2,0,0]=4 24519 B12R1.8 COCCSCC1CCOCC1 62a_100000233755_100000749018 [0,1,0,1,0,0|2,0,0]=4 24520 B12R1.8 COCCSCC1CCOCC1 62a_100000754603_100000233755 [0,1,0,1,0,0|2,0,0]=4 24521 B12R1.8 COCNCCC1CCCCC1 2230a_100000738074_100000766300 [0,1,0,1,0,0|1,0,0]=3 24522 B12R1.8 COCNCCC1CCCCO1 2230a_100015183643_100000766300 [0,1,0,1,0,0|1,0,0]=3 24523 B12R1.8 COCNCCC1CCOCC1 2230a_100000755988_100000766300 [0,1,0,1,0,0|2,0,0]=4 24524 B12R1.8 COCSCCC1CCCCC1 62a_100000766300_100012355289 [0,1,0,1,0,0|1,0,0]=3 24525 B12R1.8 COCSCCC1CCCCC1 62a_100012355289_100000766300 [0,1,0,1,0,0|1,0,0]=3 24526 B12R1.8 COCSCCC1CCOCC1 62a_100000766300_100011934994 [0,1,0,1,0,0|2,0,0]=4 24527 B12R1.8 COCSCCC1CCOCC1 62a_100011934994_100000766300 [0,1,0,1,0,0|2,0,0]=4 24528 B12R1.8 COCSCCC1OCCCO1 62a_100000764188_100000766300 [0,1,0,1,0,0|2,0,0]=4 24529 B12R1.8 COCSCCC1OCCCO1 62a_100000766300_100000764188 [0,1,0,1,0,0|2,0,0]=4 24530 B12R1.8 COCSCCN1CCCCC1 62a_100000739454_100000766300 [0,1,0,1,0,0|2,0,0]=4 24531 B12R1.8 COCSCCN1CCCCC1 62a_100000766300_100000739454 [0,1,0,1,0,0|2,0,0]=4 24532 B12R1.8 COCSCOC1CCCCC1 62a_100000766300_100011935260 [0,1,0,1,0,0|2,0,0]=4 24533 B12R1.8 COCSCOC1CCCCC1 62a_100011935260_100000766300 [0,1,0,1,0,0|2,0,0]=4 24534 B12R1.8 CSCCCNC1CCCCC1 270004a_100000749238_100000210434 [0,1,0,1,0,0|1,1,0]=4 24535 B12R1.8 CSCCCNC1CCCOC1 270004a_100000749238_100000753404 [0,1,0,1,0,0|2,0,0]=4 24536 B12R1.8 CSCCCOC1CCCCC1 34a_100000690336_100000210327 [0,1,0,1,0,0|1,1,0]=4 24537 B12R1.8 CSCCCOC1CCCCC1 7a_100000690336_100000210327 [0,1,0,1,0,0|1,1,0]=4 24538 B12R1.8 CSCCCOC1CCCCO1 62a_100000700653_200000210301 [0,1,0,1,0,0|1,0,0]=3 24539 B12R1.8 CSCCCOC1CCCCO1 62a_200000210301_100000700653 [0,1,0,1,0,0|1,0,0]=3 24540 B12R1.8 CSCCCOC1CCCOC1 34a_100000690336_100000693364 [0,1,0,1,0,0|2,0,0]=4 24541 B12R1.8 CSCCCOC1CCCOC1 7a_100000690336_100000693364 [0,1,0,1,0,0|2,0,0]=4 24542 B12R1.8 CSCCNCC1CCCCC1 2230a_100000210473_100000751147 [0,1,0,1,0,0|1,1,0]=4 24543 B12R1.8 CSCCNCC1CCCCC1 2230a_100020590264_100000211423 [0,1,0,1,0,0|1,1,0]=4 24544 B12R1.8 CSCCNCC1CCCCC1 269862a_100020590264_100000211278 [0,1,0,1,0,0|1,1,0]=4 24545 B12R1.8 CSCCNCC1CCCCC1 34a_100000210473_100000212216 [0,1,0,1,0,0|1,1,0]=4 24546 B12R1.8 CSCCNCC1CCCCO1 2230a_100000174945_100000751147 [0,1,0,1,0,0|1,0,0]=3 24547 B12R1.8 CSCCNCC1CCCCO1 2230a_100020590264_100000211543 [0,1,0,1,0,0|1,0,0]=3 24548 B12R1.8 CSCCNCC1CCCCO1 34a_100000174945_100000212216 [0,1,0,1,0,0|1,0,0]=3 24549 B12R1.8 CSCCNCC1CCCOC1 2230a_100000720124_100000751147 [0,1,0,1,0,0|2,0,0]=4 24550 B12R1.8 CSCCNCC1CCCOC1 2230a_100020590264_100000741521 [0,1,0,1,0,0|2,0,0]=4 24551 B12R1.8 CSCCNCC1CCCOC1 34a_100000720124_100000212216 [0,1,0,1,0,0|2,0,0]=4 24552 B12R1.8 CSCCNC[C@H]1COCCO1 2230a_100010981119_100000751147 [0,1,0,1,0,0|2,0,0]=4 24553 B12R1.8 CSCCNC[C@H]1COCCO1 34a_100010981119_100000212216 [0,1,0,1,0,0|2,0,0]=4 24554 B12R1.8 CSCCOCC1CCCCC1 34a_100000212181_100000212216 [0,1,0,1,0,0|1,1,0]=4 24555 B12R1.8 CSCCOCC1CCCCC1 34a_100000230434_100000211423 [0,1,0,1,0,0|1,1,0]=4 24556 B12R1.8 CSCCOCC1CCCCC1 7a_100000212181_100000212216 [0,1,0,1,0,0|1,1,0]=4 24557 B12R1.8 CSCCOCC1CCCCC1 7a_100000230434_100000211423 [0,1,0,1,0,0|1,1,0]=4 24558 B12R1.8 CSCCOCC1CCCCN1 34a_100000210821_100000212216 [0,1,0,1,0,0|2,0,0]=4 24559 B12R1.8 CSCCOCC1CCCCO1 34a_100000211370_100000212216 [0,1,0,1,0,0|1,0,0]=3 24560 B12R1.8 CSCCOCC1CCCCO1 34a_100000230434_100000211543 [0,1,0,1,0,0|1,0,0]=3 24561 B12R1.8 CSCCOCC1CCCCO1 7a_100000211370_100000212216 [0,1,0,1,0,0|1,0,0]=3 24562 B12R1.8 CSCCOCC1CCCCO1 7a_100000230434_100000211543 [0,1,0,1,0,0|1,0,0]=3 24563 B12R1.8 CSCCOCC1CCCOC1 34a_100000230434_100000741521 [0,1,0,1,0,0|2,0,0]=4 24564 B12R1.8 CSCCOCC1CCCOC1 34a_100000741520_100000212216 [0,1,0,1,0,0|2,0,0]=4 24565 B12R1.8 CSCCOCC1CCCOC1 7a_100000230434_100000741521 [0,1,0,1,0,0|2,0,0]=4 24566 B12R1.8 CSCCOC[C@@H]1CNCCO1 34a_100015189573_100000212216 [0,1,0,1,0,0|2,0,0]=4 24567 B12R1.8 CSCCOC[C@H]1COCCO1 34a_100009875890_100000212216 [0,1,0,1,0,0|2,0,0]=4 24568 B12R1.8 CSCCSCC1CCCCC1 62a_100000211423_100000751147 [0,1,0,1,0,0|1,1,0]=4 24569 B12R1.8 CSCCSCC1CCCCC1 62a_100000212216_100000211423 [0,1,0,1,0,0|1,1,0]=4 24570 B12R1.8 CSCCSCC1CCCCO1 62a_100000211543_100000751147 [0,1,0,1,0,0|1,0,0]=3 24571 B12R1.8 CSCCSCC1CCCCO1 62a_100000212216_100000211543 [0,1,0,1,0,0|1,0,0]=3 24572 B12R1.8 CSCCSCC1CCCOC1 62a_100000212216_100000741521 [0,1,0,1,0,0|2,0,0]=4 24573 B12R1.8 CSCCSCC1CCCOC1 62a_100000741521_100000751147 [0,1,0,1,0,0|2,0,0]=4 24574 B12R1.8 CSCNCCC1CCCCC1 2230a_100000738074_100011218213 [0,1,0,1,0,0|1,1,0]=4 24575 B12R1.8 CSCNCCC1CCCCC1 34a_100000738074_100011218213 [0,1,0,1,0,0|1,1,0]=4 24576 B12R1.8 CSCNCCC1CCCCO1 2230a_100015183643_100011218213 [0,1,0,1,0,0|1,0,0]=3 24577 B12R1.8 CSCNCCC1CCCCO1 34a_100015183643_100011218213 [0,1,0,1,0,0|1,0,0]=3 24578 B12R1.8 CSCOCCC1CCCCC1 34a_100011217863_100011218213 [0,1,0,1,0,0|1,1,0]=4 24579 B12R1.8 CSCOCCC1CCCCN1 34a_100000211664_100011218213 [0,1,0,1,0,0|2,0,0]=4 24580 B12R1.8 CSCSCCC1CCCCC1 62a_100011218213_100012355289 [0,1,0,1,0,0|1,1,0]=4 24581 B12R1.8 CSCSCCC1CCCCC1 62a_100012355289_100011218213 [0,1,0,1,0,0|1,1,0]=4 24582 B12R1.8 CSCSCCC1OCCCO1 62a_100000764188_100011218213 [0,1,0,1,0,0|2,0,0]=4 24583 B12R1.8 CSCSCCC1OCCCO1 62a_100011218213_100000764188 [0,1,0,1,0,0|2,0,0]=4 24584 B12R1.8 ClCCCCOC1CCCCC1 34a_100000210776_100000210327 [0,1,0,1,0,0|1,0,0]=3 24585 B12R1.8 ClCCCCOC1CCCCC1 7a_100000210776_100000210327 [0,1,0,1,0,0|1,0,0]=3 24586 B12R1.8 ClCCCCOC1CCCOC1 34a_100000210776_100000693364 [0,1,0,1,0,0|2,0,0]=4 24587 B12R1.8 ClCCCCOC1CCCOC1 7a_100000210776_100000693364 [0,1,0,1,0,0|2,0,0]=4 24588 B12R1.8 ClCCCCOC1CCOCC1 7a_100000210776_100000686592 [0,1,0,1,0,0|2,0,0]=4 24589 B12R1.8 ClCCCCOC1CCSCC1 34a_100000210776_100000069128 [0,1,0,1,0,0|2,0,0]=4 24590 B12R1.8 ClCCCCOC1CCSCC1 7a_100000210776_100011500858 [0,1,0,1,0,0|2,0,0]=4 24591 B12R1.8 ClCCCOCC1CCCCC1 34a_100000230001_100000211423 [0,1,0,1,0,0|1,0,0]=3 24592 B12R1.8 ClCCCOCC1CCCCO1 34a_100000230001_100000211543 [0,1,0,1,0,0|1,0,0]=3 24593 B12R1.8 ClCCCOCC1CCCOC1 34a_100000230001_100000741521 [0,1,0,1,0,0|2,0,0]=4 24594 B12R1.8 ClCCCOCC1CCOCC1 34a_100000230001_100000754603 [0,1,0,1,0,0|2,0,0]=4 24595 B12R1.8 FCCCCCN1CCCOC1 2230a_100000131196_100000729378 [0,1,0,1,0,0|2,0,0]=4 24596 B12R1.8 FCCCCCN1CCCOC1 269982a_100000131196_100000729378 [0,1,0,1,0,0|2,0,0]=4 24597 B12R1.8 FCCCCCN1CCCOC1 34a_100000131196_100000729378 [0,1,0,1,0,0|2,0,0]=4 24598 B12R1.8 FCCCCCN1CCOCC1 2230a_100015191051_100000729378 [0,1,0,1,0,0|2,0,0]=4 24599 B12R1.8 FCCCCCN1CCOCC1 269982a_100015191051_100000729378 [0,1,0,1,0,0|2,0,0]=4 24600 B12R1.8 FCCCCCN1CCOCC1 34a_100015191051_100000729378 [0,1,0,1,0,0|2,0,0]=4 24601 B12R1.8 FCCCCCN1CCSCC1 2230a_100000737611_100000729378 [0,1,0,1,0,0|2,0,0]=4 24602 B12R1.8 FCCCCCN1CCSCC1 269982a_100000737611_100000729378 [0,1,0,1,0,0|2,0,0]=4 24603 B12R1.8 FCCCCNC1CCCCC1 2230a_100000182618_100000729493 [0,1,0,1,0,0|1,0,0]=3 24604 B12R1.8 FCCCCNC1CCCCC1 34a_100000182618_100000729493 [0,1,0,1,0,0|1,0,0]=3 24605 B12R1.8 FCCCCNC1CCCOC1 2230a_100000719290_100000729493 [0,1,0,1,0,0|2,0,0]=4 24606 B12R1.8 FCCCCNC1CCCOC1 34a_100000719290_100000729493 [0,1,0,1,0,0|2,0,0]=4 24607 B12R1.8 FCCCCNC1CCOCC1 2230a_100000741149_100000729493 [0,1,0,1,0,0|2,0,0]=4 24608 B12R1.8 FCCCCNC1CCOCC1 34a_100000741149_100000729493 [0,1,0,1,0,0|2,0,0]=4 24609 B12R1.8 FCCCCNC1CCSCC1 2230a_100000748639_100000729493 [0,1,0,1,0,0|2,0,0]=4 24610 B12R1.8 FCCCCNC1CCSCC1 34a_100000748639_100000729493 [0,1,0,1,0,0|2,0,0]=4 24611 B12R1.8 FCCCCOC1CCCCC1 34a_100000210231_100000729493 [0,1,0,1,0,0|1,0,0]=3 24612 B12R1.8 FCCCCOC1CCCCC1 34a_100011995726_100000210327 [0,1,0,1,0,0|1,0,0]=3 24613 B12R1.8 FCCCCOC1CCCCC1 7a_100000210231_100000729493 [0,1,0,1,0,0|1,0,0]=3 24614 B12R1.8 FCCCCOC1CCCCC1 7a_100011995726_100000210327 [0,1,0,1,0,0|1,0,0]=3 24615 B12R1.8 FCCCCOC1CCCCO1 34a_100000033831_100000729493 [0,1,0,1,0,0|1,0,0]=3 24616 B12R1.8 FCCCCOC1CCCOC1 34a_100000754041_100000729493 [0,1,0,1,0,0|2,0,0]=4 24617 B12R1.8 FCCCCOC1CCCOC1 34a_100011995726_100000693364 [0,1,0,1,0,0|2,0,0]=4 24618 B12R1.8 FCCCCOC1CCCOC1 7a_100011995726_100000693364 [0,1,0,1,0,0|2,0,0]=4 24619 B12R1.8 FCCCCOC1CCCSC1 7a_100015962668_100000729493 [0,1,0,1,0,0|2,0,0]=4 24620 B12R1.8 FCCCCOC1CCOCC1 34a_100000744328_100000729493 [0,1,0,1,0,0|2,0,0]=4 24621 B12R1.8 FCCCCOC1CCOCC1 7a_100011995726_100000686592 [0,1,0,1,0,0|2,0,0]=4 24622 B12R1.8 FCCCCOC1CCSCC1 34a_100000731022_100000729493 [0,1,0,1,0,0|2,0,0]=4 24623 B12R1.8 FCCCCOC1CCSCC1 34a_100011995726_100000069128 [0,1,0,1,0,0|2,0,0]=4 24624 B12R1.8 FCCCCOC1CCSCC1 7a_100000731022_100000729493 [0,1,0,1,0,0|2,0,0]=4 24625 B12R1.8 FCCCCOC1CCSCC1 7a_100011995726_100011500858 [0,1,0,1,0,0|2,0,0]=4 24626 B12R1.8 FCCCCSC1CCCCC1 62a_100000210327_100000729493 [0,1,0,1,0,0|1,0,0]=3 24627 B12R1.8 FCCCCSC1CCCCC1 62a_100000729493_100000210327 [0,1,0,1,0,0|1,0,0]=3 24628 B12R1.8 FCCCCSC1CCCOC1 62a_100000729493_100000693364 [0,1,0,1,0,0|2,0,0]=4 24629 B12R1.8 FCCCCSC1CCOCC1 62a_100000729493_100011324220 [0,1,0,1,0,0|2,0,0]=4 24630 B12R1.8 FCCCCSC1CCSCC1 62a_100000729493_100000069128 [0,1,0,1,0,0|2,0,0]=4 24631 B12R1.8 FCCCNCC1CCCCC1 2230a_100000210473_100011934791 [0,1,0,1,0,0|1,0,0]=3 24632 B12R1.8 FCCCNCC1CCCCC1 2230a_100015189416_100000211423 [0,1,0,1,0,0|1,0,0]=3 24633 B12R1.8 FCCCNCC1CCCCC1 269862a_100015189416_100000211278 [0,1,0,1,0,0|1,0,0]=3 24634 B12R1.8 FCCCNCC1CCCCC1 34a_100000210473_100011934791 [0,1,0,1,0,0|1,0,0]=3 24635 B12R1.8 FCCCNCC1CCCCC1 34a_100015189416_100000211423 [0,1,0,1,0,0|1,0,0]=3 24636 B12R1.8 FCCCNCC1CCCCO1 2230a_100000174945_100011934791 [0,1,0,1,0,0|1,0,0]=3 24637 B12R1.8 FCCCNCC1CCCCO1 2230a_100015189416_100000211543 [0,1,0,1,0,0|1,0,0]=3 24638 B12R1.8 FCCCNCC1CCCCO1 34a_100000174945_100011934791 [0,1,0,1,0,0|1,0,0]=3 24639 B12R1.8 FCCCNCC1CCCCO1 34a_100015189416_100000211543 [0,1,0,1,0,0|1,0,0]=3 24640 B12R1.8 FCCCNCC1CCCOC1 2230a_100000720124_100011934791 [0,1,0,1,0,0|2,0,0]=4 24641 B12R1.8 FCCCNCC1CCCOC1 2230a_100015189416_100000741521 [0,1,0,1,0,0|2,0,0]=4 24642 B12R1.8 FCCCNCC1CCCOC1 34a_100000720124_100011934791 [0,1,0,1,0,0|2,0,0]=4 24643 B12R1.8 FCCCNCC1CCCOC1 34a_100015189416_100000741521 [0,1,0,1,0,0|2,0,0]=4 24644 B12R1.8 FCCCNCC1CCOCC1 2230a_100000746373_100011934791 [0,1,0,1,0,0|2,0,0]=4 24645 B12R1.8 FCCCNCC1CCOCC1 2230a_100015189416_100000754603 [0,1,0,1,0,0|2,0,0]=4 24646 B12R1.8 FCCCNCC1CCOCC1 269862a_100015189416_100000749017 [0,1,0,1,0,0|2,0,0]=4 24647 B12R1.8 FCCCNCC1CCOCC1 34a_100000746373_100011934791 [0,1,0,1,0,0|2,0,0]=4 24648 B12R1.8 FCCCNCC1CCOCC1 34a_100015189416_100000754603 [0,1,0,1,0,0|2,0,0]=4 24649 B12R1.8 FCCCNCC1CCSCC1 2230a_100015188806_100011934791 [0,1,0,1,0,0|2,0,0]=4 24650 B12R1.8 FCCCNCC1CCSCC1 269862a_100015189416_100000067145 [0,1,0,1,0,0|2,0,0]=4 24651 B12R1.8 FCCCNCC1CCSCC1 270004a_100015189416_100000067145 [0,1,0,1,0,0|2,0,0]=4 24652 B12R1.8 FCCCNCC1CCSCC1 34a_100015188806_100011934791 [0,1,0,1,0,0|2,0,0]=4 24653 B12R1.8 FCCCNC[C@H]1COCCO1 2230a_100010981119_100011934791 [0,1,0,1,0,0|2,0,0]=4 24654 B12R1.8 FCCCNC[C@H]1COCCO1 34a_100010981119_100011934791 [0,1,0,1,0,0|2,0,0]=4 24655 B12R1.8 FCCCOCC1CCCCC1 34a_100000212181_100011934791 [0,1,0,1,0,0|1,0,0]=3 24656 B12R1.8 FCCCOCC1CCCCC1 34a_100000759539_100000211423 [0,1,0,1,0,0|1,0,0]=3 24657 B12R1.8 FCCCOCC1CCCCC1 7a_100000212181_100011934791 [0,1,0,1,0,0|1,0,0]=3 24658 B12R1.8 FCCCOCC1CCCCN1 34a_100000210821_100011934791 [0,1,0,1,0,0|2,0,0]=4 24659 B12R1.8 FCCCOCC1CCCCO1 34a_100000211370_100011934791 [0,1,0,1,0,0|1,0,0]=3 24660 B12R1.8 FCCCOCC1CCCCO1 34a_100000759539_100000211543 [0,1,0,1,0,0|1,0,0]=3 24661 B12R1.8 FCCCOCC1CCCCO1 7a_100000211370_100011934791 [0,1,0,1,0,0|1,0,0]=3 24662 B12R1.8 FCCCOCC1CCCNC1 34a_100000211344_100011934791 [0,1,0,1,0,0|2,0,0]=4 24663 B12R1.8 FCCCOCC1CCCOC1 34a_100000741520_100011934791 [0,1,0,1,0,0|2,0,0]=4 24664 B12R1.8 FCCCOCC1CCCOC1 34a_100000759539_100000741521 [0,1,0,1,0,0|2,0,0]=4 24665 B12R1.8 FCCCOCC1CCNCC1 34a_100000738675_100011934791 [0,1,0,1,0,0|2,0,0]=4 24666 B12R1.8 FCCCOCC1CCOCC1 34a_100000749013_100011934791 [0,1,0,1,0,0|2,0,0]=4 24667 B12R1.8 FCCCOCC1CCOCC1 34a_100000759539_100000754603 [0,1,0,1,0,0|2,0,0]=4 24668 B12R1.8 FCCCOCC1CCSCC1 34a_100000070558_100011934791 [0,1,0,1,0,0|2,0,0]=4 24669 B12R1.8 FCCCOCC1CCSCC1 7a_100000070558_100011934791 [0,1,0,1,0,0|2,0,0]=4 24670 B12R1.8 FCCCOC[C@@H]1CNCCO1 34a_100015189573_100011934791 [0,1,0,1,0,0|2,0,0]=4 24671 B12R1.8 FCCCOC[C@H]1COCCO1 34a_100009875890_100011934791 [0,1,0,1,0,0|2,0,0]=4 24672 B12R1.8 FCCCSCC1CCCCC1 62a_100000211423_100011934791 [0,1,0,1,0,0|1,0,0]=3 24673 B12R1.8 FCCCSCC1CCCCC1 62a_100011934791_100000211423 [0,1,0,1,0,0|1,0,0]=3 24674 B12R1.8 FCCCSCC1CCCCO1 62a_100000211543_100011934791 [0,1,0,1,0,0|1,0,0]=3 24675 B12R1.8 FCCCSCC1CCCCO1 62a_100011934791_100000211543 [0,1,0,1,0,0|1,0,0]=3 24676 B12R1.8 FCCCSCC1CCCOC1 62a_100000741521_100011934791 [0,1,0,1,0,0|2,0,0]=4 24677 B12R1.8 FCCCSCC1CCCOC1 62a_100011934791_100000741521 [0,1,0,1,0,0|2,0,0]=4 24678 B12R1.8 FCCCSCC1CCOCC1 62a_100000754603_100011934791 [0,1,0,1,0,0|2,0,0]=4 24679 B12R1.8 FCCCSCC1CCOCC1 62a_100011934791_100000749018 [0,1,0,1,0,0|2,0,0]=4 24680 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [0,1,0,1,0,0|1,0,0]=3 24681 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [0,1,0,1,0,0|1,0,0]=3 24682 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [0,1,0,1,0,0|1,0,0]=3 24683 B12R1.8 FCCNCCC1CCCCO1 2230a_100015183643_100011217306 [0,1,0,1,0,0|1,0,0]=3 24684 B12R1.8 FCCNCCC1CCCCO1 34a_100015183643_100011217306 [0,1,0,1,0,0|1,0,0]=3 24685 B12R1.8 FCCNCCC1CCOCC1 2230a_100000755988_100011217306 [0,1,0,1,0,0|2,0,0]=4 24686 B12R1.8 FCCNCCC1CCOCC1 34a_100000724931_100011934994 [0,1,0,1,0,0|2,0,0]=4 24687 B12R1.8 FCCNCCC1CCOCC1 34a_100000755988_100011217306 [0,1,0,1,0,0|2,0,0]=4 24688 B12R1.8 FCCNCCC1OCCCO1 34a_100000724931_100000764188 [0,1,0,1,0,0|2,0,0]=4 24689 B12R1.8 FCCNCCN1CCCCC1 34a_100000724931_100000739454 [0,1,0,1,0,0|2,0,0]=4 24690 B12R1.8 FCCNCOC1CCCCC1 34a_100000724931_100011935260 [0,1,0,1,0,0|2,0,0]=4 24691 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [0,1,0,1,0,0|1,0,0]=3 24692 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [0,1,0,1,0,0|1,0,0]=3 24693 B12R1.8 FCCOCCC1CCCCN1 34a_100000211664_100011217306 [0,1,0,1,0,0|2,0,0]=4 24694 B12R1.8 FCCOCCC1CCCNC1 34a_100000752241_100011217306 [0,1,0,1,0,0|2,0,0]=4 24695 B12R1.8 FCCOCCC1CCNCC1 34a_100015190746_100011217306 [0,1,0,1,0,0|2,0,0]=4 24696 B12R1.8 FCCOCCC1CCOCC1 34a_100011933979_100011217306 [0,1,0,1,0,0|2,0,0]=4 24697 B12R1.8 FCCOCCC1CCOCC1 7a_100011933979_100011217306 [0,1,0,1,0,0|2,0,0]=4 24698 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [0,1,0,1,0,0|1,0,0]=3 24699 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [0,1,0,1,0,0|1,0,0]=3 24700 B12R1.8 FCCSCCC1CCOCC1 62a_100011217306_100011934994 [0,1,0,1,0,0|2,0,0]=4 24701 B12R1.8 FCCSCCC1CCOCC1 62a_100011934994_100011217306 [0,1,0,1,0,0|2,0,0]=4 24702 B12R1.8 FCCSCCC1OCCCO1 62a_100000764188_100011217306 [0,1,0,1,0,0|2,0,0]=4 24703 B12R1.8 FCCSCCC1OCCCO1 62a_100011217306_100000764188 [0,1,0,1,0,0|2,0,0]=4 24704 B12R1.8 FCCSCCN1CCCCC1 62a_100000739454_100011217306 [0,1,0,1,0,0|2,0,0]=4 24705 B12R1.8 FCCSCCN1CCCCC1 62a_100011217306_100000739454 [0,1,0,1,0,0|2,0,0]=4 24706 B12R1.8 FCCSCOC1CCCCC1 62a_100011217306_100011935260 [0,1,0,1,0,0|2,0,0]=4 24707 B12R1.8 FCCSCOC1CCCCC1 62a_100011935260_100011217306 [0,1,0,1,0,0|2,0,0]=4 24708 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [0,1,0,1,0,0|1,0,0]=3 24709 B12R1.8 FCNCCOC1CCCCC1 34a_100015206981_100015361967 [0,1,0,1,0,0|2,0,0]=4 24710 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [0,1,0,1,0,0|1,0,0]=3 24711 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [0,1,0,1,0,0|1,0,0]=3 24712 B12R1.8 FCOCCCC1CCCCN1 34a_100011934581_100015361967 [0,1,0,1,0,0|2,0,0]=4 24713 B12R1.8 FCOCCCC1CCCNC1 34a_100150707839_100015361967 [0,1,0,1,0,0|2,0,0]=4 24714 B12R1.8 FCOCCCC1CCNCC1 34a_100016988962_100015361967 [0,1,0,1,0,0|2,0,0]=4 24715 B12R1.8 FCOCCCN1CCCCC1 34a_100000212458_100015361967 [0,1,0,1,0,0|2,0,0]=4 24716 B12R1.8 FCOCCNC1CCCCC1 34a_100000200466_100015361967 [0,1,0,1,0,0|2,0,0]=4 24717 B12R1.8 FCOCCOC1CCCCC1 34a_100011249652_100015361967 [0,1,0,1,0,0|2,0,0]=4 24718 B12R1.8 FCOCCOC1CCCCC1 7a_100011249652_100015361967 [0,1,0,1,0,0|2,0,0]=4 24719 B12R1.8 FCOCCOC1CCCCO1 34a_100000034223_100015361967 [0,1,0,1,0,0|2,0,0]=4 24720 B12R1.8 FCOCCOC1CCCCO1 7a_100000034223_100015361967 [0,1,0,1,0,0|2,0,0]=4 24721 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [0,1,0,1,0,0|1,0,0]=3 24722 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [0,1,0,1,0,0|1,0,0]=3 24723 B12R1.8 FCSCCCN1CCCCC1 62a_100015361967_100000007876 [0,1,0,1,0,0|2,0,0]=4 24724 B12R1.8 FCSCCCN1CCCCC1 62a_100132302099_100015361967 [0,1,0,1,0,0|2,0,0]=4 24725 B12R1.8 FCSCCOC1CCCCC1 62a_100011211530_100015361967 [0,1,0,1,0,0|2,0,0]=4 24726 B12R1.8 FCSCCOC1CCCCC1 62a_100015361967_100011211530 [0,1,0,1,0,0|2,0,0]=4 24727 B12R1.8 FCSCCOC1CCCCO1 62a_100000744793_100015361967 [0,1,0,1,0,0|2,0,0]=4 24728 B12R1.8 FCSCCOC1CCCCO1 62a_100015361967_100000744793 [0,1,0,1,0,0|2,0,0]=4 24729 B12R1.8 ICCCCOC1CCCCC1 34a_200012148704_100000210327 [0,1,0,1,0,0|1,0,0]=3 24730 B12R1.8 ICCCCOC1CCCOC1 34a_200012148704_100000693364 [0,1,0,1,0,0|2,0,0]=4 24731 B12R1.8 ICCCCOC1CCSCC1 34a_200012148704_100000069128 [0,1,0,1,0,0|2,0,0]=4 24732 B12R1.8 N#CCCCNC1CCCCC1 2230a_100000182618_100000687738 [0,1,0,1,0,0|1,0,1]=4 24733 B12R1.8 N#CCCCOC1CCCCC1 7a_100000210231_100000687738 [0,1,0,1,0,0|1,0,1]=4 24734 B12R1.8 N#CCCCSC1CCCCC1 62a_100000210327_100000687738 [0,1,0,1,0,0|1,0,1]=4 24735 B12R1.8 N#CCCCSC1CCCCC1 62a_100000687738_100000210327 [0,1,0,1,0,0|1,0,1]=4 24736 B12R1.8 N#CCCNCC1CCCCC1 2230a_100000210473_100011215226 [0,1,0,1,0,0|1,0,1]=4 24737 B12R1.8 N#CCCNCC1CCCCO1 2230a_100000174945_100011215226 [0,1,0,1,0,0|1,0,1]=4 24738 B12R1.8 N#CCCOCC1CCCCC1 7a_100000212181_100000184422 [0,1,0,1,0,0|1,0,1]=4 24739 B12R1.8 N#CCCOCC1CCCCO1 7a_100000211370_100000184422 [0,1,0,1,0,0|1,0,1]=4 24740 B12R1.8 N#CCCSCC1CCCCC1 62a_100000211423_100011215226 [0,1,0,1,0,0|1,0,1]=4 24741 B12R1.8 N#CCCSCC1CCCCC1 62a_100011215226_100000211423 [0,1,0,1,0,0|1,0,1]=4 24742 B12R1.8 N#CCCSCC1CCCCO1 62a_100000211543_100011215226 [0,1,0,1,0,0|1,0,1]=4 24743 B12R1.8 N#CCCSCC1CCCCO1 62a_100011215226_100000211543 [0,1,0,1,0,0|1,0,1]=4 24744 B12R1.8 N#CCNCCC1CCCCC1 2230a_100000738074_100011215382 [0,1,0,1,0,0|1,0,1]=4 24745 B12R1.8 N#CCNCCC1CCCCO1 2230a_100015183643_100011215382 [0,1,0,1,0,0|1,0,1]=4 24746 B12R1.8 N#CCOCCC1CCCCC1 7a_100011217863_100011215382 [0,1,0,1,0,0|1,0,1]=4 24747 B12R1.8 N#CCSCCC1CCCCC1 62a_100011215382_100012355289 [0,1,0,1,0,0|1,0,1]=4 24748 B12R1.8 N#CCSCCC1CCCCC1 62a_100012355289_100011215382 [0,1,0,1,0,0|1,0,1]=4 24749 B12R1.8 NCCCCOC1CCCCC1 34a_100000750430_100000210327 [0,1,0,1,0,0|1,0,0]=3 24750 B12R1.8 NCCCCOC1CCCOC1 34a_100000750430_100000693364 [0,1,0,1,0,0|2,0,0]=4 24751 B12R1.8 NCCCCOC1CCSCC1 34a_100000750430_100000069128 [0,1,0,1,0,0|2,0,0]=4 24752 B12R1.8 NCCCOCC1CCCCC1 34a_100000182051_100000211423 [0,1,0,1,0,0|1,0,0]=3 24753 B12R1.8 NCCCOCC1CCCCO1 34a_100000182051_100000211543 [0,1,0,1,0,0|1,0,0]=3 24754 B12R1.8 NCCCOCC1CCCOC1 34a_100000182051_100000741521 [0,1,0,1,0,0|2,0,0]=4 24755 B12R1.8 NCCCOCC1CCOCC1 34a_100000182051_100000754603 [0,1,0,1,0,0|2,0,0]=4 24756 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [0,1,0,1,0,0|1,0,0]=3 24757 B12R1.8 NCCOCCC1CCOCC1 34a_100000210304_100011934994 [0,1,0,1,0,0|2,0,0]=4 24758 B12R1.8 NCCOCCC1OCCCO1 34a_100000210304_100000764188 [0,1,0,1,0,0|2,0,0]=4 24759 B12R1.8 NCCOCCN1CCCCC1 34a_100000210304_100000739454 [0,1,0,1,0,0|2,0,0]=4 24760 B12R1.8 NCCOCOC1CCCCC1 34a_100000210304_100011935260 [0,1,0,1,0,0|2,0,0]=4 24761 B12R1.8 NOCCOCC1CCCCC1 34a_100000700252_100000211423 [0,1,0,1,0,0|1,0,0]=3 24762 B12R1.8 NOCCOCC1CCCCO1 34a_100000700252_100000211543 [0,1,0,1,0,0|2,0,0]=4 24763 B12R1.8 NOCCOCC1CCCOC1 34a_100000700252_100000741521 [0,1,0,1,0,0|2,0,0]=4 24764 B12R1.8 NOCCOCC1CCOCC1 34a_100000700252_100000754603 [0,1,0,1,0,0|2,0,0]=4 24765 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,1,0,1,0,0|0,0,2]=4 24766 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,1,0,1,0,0|0,0,2]=4 24767 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,1,0,1,0,0|0,0,2]=4 24768 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,1,0,1,0,0|0,0,2]=4 24769 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,1,0,1,0,0|0,0,2]=4 24770 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,1,0,1,0,0|0,0,2]=4 24771 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,1,0,1,0,0|1,0,1]=4 24772 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,1,0,1,0,0|1,0,1]=4 24773 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,1,0,1,0,0|0,0,2]=4 24774 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,1,0,1,0,0|0,0,2]=4 24775 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,1,0,1,0,0|0,0,2]=4 24776 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,1,0,1,0,0|0,0,2]=4 24777 B12R1.8 OCC#CCNC1CCCCC1 2230a_100000182618_200000047223 [0,1,0,1,0,0|0,0,2]=4 24778 B12R1.8 OCC#CCNC1CCCCC1 34a_100000182618_200000047223 [0,1,0,1,0,0|0,0,2]=4 24779 B12R1.8 OCC#CCOC1CCCCC1 34a_100000210231_200000047223 [0,1,0,1,0,0|0,0,2]=4 24780 B12R1.8 OCC#CCOC1CCCCC1 7a_100000210231_200000047223 [0,1,0,1,0,0|0,0,2]=4 24781 B12R1.8 OCC#CCSC1CCCCC1 62a_100000210327_200000047223 [0,1,0,1,0,0|0,0,2]=4 24782 B12R1.8 OCC#CCSC1CCCCC1 62a_200000047223_100000210327 [0,1,0,1,0,0|0,0,2]=4 24783 B12R1.8 OCCCCCN1CC=CCC1 2230a_100000698166_100000746330 [0,1,0,1,0,0|0,0,2]=4 24784 B12R1.8 OCCCCCN1CC=CCC1 269982a_100000698166_100000746330 [0,1,0,1,0,0|0,0,2]=4 24785 B12R1.8 OCCCCCN1CC=CCC1 34a_100000698166_100000746330 [0,1,0,1,0,0|0,0,2]=4 24786 B12R1.8 OCCCCCN1CCCOC1 2230a_100000131196_100000746330 [0,1,0,1,0,0|1,0,0]=3 24787 B12R1.8 OCCCCCN1CCCOC1 269982a_100000131196_100000746330 [0,1,0,1,0,0|1,0,0]=3 24788 B12R1.8 OCCCCCN1CCCOC1 34a_100000131196_100000746330 [0,1,0,1,0,0|1,0,0]=3 24789 B12R1.8 OCCCCCN1CCOCC1 2230a_100015191051_100000746330 [0,1,0,1,0,0|1,0,0]=3 24790 B12R1.8 OCCCCCN1CCOCC1 269982a_100015191051_100000746330 [0,1,0,1,0,0|1,0,0]=3 24791 B12R1.8 OCCCCCN1CCOCC1 34a_100015191051_100000746330 [0,1,0,1,0,0|1,0,0]=3 24792 B12R1.8 OCCCCCN1CCSCC1 2230a_100000737611_100000746330 [0,1,0,1,0,0|1,0,0]=3 24793 B12R1.8 OCCCCCN1CCSCC1 269982a_100000737611_100000746330 [0,1,0,1,0,0|1,0,0]=3 24794 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [0,1,0,1,0,0|0,0,2]=4 24795 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,1,0,1,0,0|0,0,0]=2 24796 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,1,0,1,0,0|0,0,0]=2 24797 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,1,0,1,0,0|0,0,0]=2 24798 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,1,0,1,0,0|0,0,0]=2 24799 B12R1.8 OCCCCNC1CCCOC1 2230a_100000719290_100000210776 [0,1,0,1,0,0|1,0,0]=3 24800 B12R1.8 OCCCCNC1CCCOC1 270004a_100000750430_100000753404 [0,1,0,1,0,0|1,0,0]=3 24801 B12R1.8 OCCCCNC1CCCOC1 34a_100000719290_100011216708 [0,1,0,1,0,0|1,0,0]=3 24802 B12R1.8 OCCCCNC1CCCOC1 34a_100000750430_100000693364 [0,1,0,1,0,0|1,0,0]=3 24803 B12R1.8 OCCCCNC1CCCSC1 270004a_100000750430_100000057913 [0,1,0,1,0,0|1,0,0]=3 24804 B12R1.8 OCCCCNC1CCNCC1 270004a_100000750430_100015192401 [0,1,0,1,0,0|1,0,0]=3 24805 B12R1.8 OCCCCNC1CCOCC1 2230a_100000741149_100000210776 [0,1,0,1,0,0|1,0,0]=3 24806 B12R1.8 OCCCCNC1CCOCC1 270004a_100000750430_100011217826 [0,1,0,1,0,0|1,0,0]=3 24807 B12R1.8 OCCCCNC1CCOCC1 34a_100000741149_100011216708 [0,1,0,1,0,0|1,0,0]=3 24808 B12R1.8 OCCCCNC1CCSCC1 2230a_100000748639_100000210776 [0,1,0,1,0,0|1,0,0]=3 24809 B12R1.8 OCCCCNC1CCSCC1 270004a_100000750430_100000203788 [0,1,0,1,0,0|1,0,0]=3 24810 B12R1.8 OCCCCNC1CCSCC1 34a_100000748639_100011216708 [0,1,0,1,0,0|1,0,0]=3 24811 B12R1.8 OCCCCNC1CCSCC1 34a_100000750430_100000069128 [0,1,0,1,0,0|1,0,0]=3 24812 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,1,0,1,0,0|0,0,2]=4 24813 B12R1.8 OCCCCOC1CC=CCC1 34a_100000073881_100011216708 [0,1,0,1,0,0|0,0,2]=4 24814 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,1,0,1,0,0|0,0,0]=2 24815 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,1,0,1,0,0|0,0,0]=2 24816 B12R1.8 OCCCCOC1CCCCO1 34a_100000033831_100011216708 [0,1,0,1,0,0|1,0,0]=3 24817 B12R1.8 OCCCCOC1CCCOC1 34a_100000754041_100011216708 [0,1,0,1,0,0|1,0,0]=3 24818 B12R1.8 OCCCCOC1CCCSC1 7a_100015962668_100000210776 [0,1,0,1,0,0|1,0,0]=3 24819 B12R1.8 OCCCCOC1CCOCC1 34a_100000744328_100011216708 [0,1,0,1,0,0|1,0,0]=3 24820 B12R1.8 OCCCCOC1CCSCC1 34a_100000731022_100011216708 [0,1,0,1,0,0|1,0,0]=3 24821 B12R1.8 OCCCCOC1CCSCC1 7a_100000731022_100000210776 [0,1,0,1,0,0|1,0,0]=3 24822 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [0,1,0,1,0,0|0,0,2]=4 24823 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [0,1,0,1,0,0|0,0,2]=4 24824 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,1,0,1,0,0|0,0,0]=2 24825 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,1,0,1,0,0|0,0,0]=2 24826 B12R1.8 OCCCCSC1CCCOC1 62a_100000210776_100000693364 [0,1,0,1,0,0|1,0,0]=3 24827 B12R1.8 OCCCCSC1CCOCC1 62a_100000210776_100011324220 [0,1,0,1,0,0|1,0,0]=3 24828 B12R1.8 OCCCCSC1CCSCC1 62a_100000210776_100000069128 [0,1,0,1,0,0|1,0,0]=3 24829 B12R1.8 OCCCNCC1CC=CCC1 270004a_100000182051_100000189434 [0,1,0,1,0,0|0,0,2]=4 24830 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,1,0,1,0,0|0,0,0]=2 24831 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,1,0,1,0,0|0,0,0]=2 24832 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,1,0,1,0,0|0,0,0]=2 24833 B12R1.8 OCCCNCC1CCCCO1 2230a_100000174945_100000230001 [0,1,0,1,0,0|1,0,0]=3 24834 B12R1.8 OCCCNCC1CCCCO1 34a_100000174945_100000230001 [0,1,0,1,0,0|1,0,0]=3 24835 B12R1.8 OCCCNCC1CCCOC1 2230a_100000720124_100000230001 [0,1,0,1,0,0|1,0,0]=3 24836 B12R1.8 OCCCNCC1CCCOC1 34a_100000720124_100000230001 [0,1,0,1,0,0|1,0,0]=3 24837 B12R1.8 OCCCNCC1CCOCC1 2230a_100000746373_100000230001 [0,1,0,1,0,0|1,0,0]=3 24838 B12R1.8 OCCCNCC1CCOCC1 269862a_100000182051_100000749017 [0,1,0,1,0,0|1,0,0]=3 24839 B12R1.8 OCCCNCC1CCOCC1 34a_100000746373_100000230001 [0,1,0,1,0,0|1,0,0]=3 24840 B12R1.8 OCCCNCC1CCSCC1 2230a_100015188806_100000230001 [0,1,0,1,0,0|1,0,0]=3 24841 B12R1.8 OCCCNCC1CCSCC1 269862a_100000182051_100000067145 [0,1,0,1,0,0|1,0,0]=3 24842 B12R1.8 OCCCNCC1CCSCC1 270004a_100000182051_100000067145 [0,1,0,1,0,0|1,0,0]=3 24843 B12R1.8 OCCCNCC1CCSCC1 34a_100015188806_100000230001 [0,1,0,1,0,0|1,0,0]=3 24844 B12R1.8 OCCCNC[C@H]1COCCO1 2230a_100010981119_100000230001 [0,1,0,1,0,0|2,0,0]=4 24845 B12R1.8 OCCCNC[C@H]1COCCO1 34a_100010981119_100000230001 [0,1,0,1,0,0|2,0,0]=4 24846 B12R1.8 OCCCOCC1CC=CCC1 34a_100000210713_100000230001 [0,1,0,1,0,0|0,0,2]=4 24847 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,1,0,1,0,0|0,0,0]=2 24848 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,1,0,1,0,0|0,0,0]=2 24849 B12R1.8 OCCCOCC1CCCCN1 34a_100000210821_100000230001 [0,1,0,1,0,0|1,0,0]=3 24850 B12R1.8 OCCCOCC1CCCCO1 34a_100000211370_100000230001 [0,1,0,1,0,0|1,0,0]=3 24851 B12R1.8 OCCCOCC1CCCCO1 7a_100000211370_100011215043 [0,1,0,1,0,0|1,0,0]=3 24852 B12R1.8 OCCCOCC1CCCNC1 34a_100000211344_100000230001 [0,1,0,1,0,0|1,0,0]=3 24853 B12R1.8 OCCCOCC1CCCOC1 34a_100000741520_100000230001 [0,1,0,1,0,0|1,0,0]=3 24854 B12R1.8 OCCCOCC1CCNCC1 34a_100000738675_100000230001 [0,1,0,1,0,0|1,0,0]=3 24855 B12R1.8 OCCCOCC1CCOCC1 34a_100000749013_100000230001 [0,1,0,1,0,0|1,0,0]=3 24856 B12R1.8 OCCCOCC1CCSCC1 34a_100000070558_100000230001 [0,1,0,1,0,0|1,0,0]=3 24857 B12R1.8 OCCCOCC1CCSCC1 7a_100000070558_100011215043 [0,1,0,1,0,0|1,0,0]=3 24858 B12R1.8 OCCCOC[C@@H]1CNCCO1 34a_100015189573_100000230001 [0,1,0,1,0,0|2,0,0]=4 24859 B12R1.8 OCCCOC[C@@H]1COCCN1 34a_100000717676_100000230001 [0,1,0,1,0,0|2,0,0]=4 24860 B12R1.8 OCCCOC[C@H]1COCCO1 34a_100009875890_100000230001 [0,1,0,1,0,0|2,0,0]=4 24861 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,1,0,1,0,0|0,0,0]=2 24862 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,1,0,1,0,0|0,0,0]=2 24863 B12R1.8 OCCCSCC1CCCCO1 62a_100000211543_100011215043 [0,1,0,1,0,0|1,0,0]=3 24864 B12R1.8 OCCCSCC1CCCCO1 62a_100011215043_100000211543 [0,1,0,1,0,0|1,0,0]=3 24865 B12R1.8 OCCCSCC1CCCOC1 62a_100000741521_100011215043 [0,1,0,1,0,0|1,0,0]=3 24866 B12R1.8 OCCCSCC1CCCOC1 62a_100011215043_100000741521 [0,1,0,1,0,0|1,0,0]=3 24867 B12R1.8 OCCCSCC1CCOCC1 62a_100000754603_100011215043 [0,1,0,1,0,0|1,0,0]=3 24868 B12R1.8 OCCCSCC1CCOCC1 62a_100011215043_100000749018 [0,1,0,1,0,0|1,0,0]=3 24869 B12R1.8 OCCNCCC1=CCCCC1 2230a_100000212019_100000211926 [0,1,0,1,0,0|0,0,2]=4 24870 B12R1.8 OCCNCCC1=CCCCC1 34a_100000212019_100000211926 [0,1,0,1,0,0|0,0,2]=4 24871 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,1,0,1,0,0|0,0,0]=2 24872 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,1,0,1,0,0|0,0,0]=2 24873 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,1,0,1,0,0|0,0,0]=2 24874 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,1,0,1,0,0|0,0,0]=2 24875 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,1,0,1,0,0|0,0,0]=2 24876 B12R1.8 OCCNCCC1CCCCO1 2230a_100015183643_100000211926 [0,1,0,1,0,0|1,0,0]=3 24877 B12R1.8 OCCNCCC1CCCCO1 34a_100015183643_100000211926 [0,1,0,1,0,0|1,0,0]=3 24878 B12R1.8 OCCNCCC1CCOCC1 2230a_100000755988_100000211926 [0,1,0,1,0,0|1,0,0]=3 24879 B12R1.8 OCCNCCC1CCOCC1 2230a_100016997473_100011934994 [0,1,0,1,0,0|1,0,0]=3 24880 B12R1.8 OCCNCCC1CCOCC1 34a_100000755988_100000211926 [0,1,0,1,0,0|1,0,0]=3 24881 B12R1.8 OCCNCCC1CCOCC1 34a_100016990907_100011934994 [0,1,0,1,0,0|1,0,0]=3 24882 B12R1.8 OCCNCCC1OCCCO1 2230a_100016997473_100000764188 [0,1,0,1,0,0|2,0,0]=4 24883 B12R1.8 OCCNCCC1OCCCO1 34a_100016990907_100000764188 [0,1,0,1,0,0|2,0,0]=4 24884 B12R1.8 OCCNCCN1CCCCC1 2230a_100016997473_100000739454 [0,1,0,1,0,0|1,0,0]=3 24885 B12R1.8 OCCNCCN1CCCCC1 34a_100016990907_100000739454 [0,1,0,1,0,0|1,0,0]=3 24886 B12R1.8 OCCNCCN1CCOCC1 2230a_100016997473_100025781966 [0,1,0,1,0,0|2,0,0]=4 24887 B12R1.8 OCCNCCN1CCSCC1 2230a_100000755026_100000211926 [0,1,0,1,0,0|2,0,0]=4 24888 B12R1.8 OCCNCOC1CCCCC1 2230a_100016997473_100011935260 [0,1,0,1,0,0|1,0,0]=3 24889 B12R1.8 OCCNCOC1CCCCC1 34a_100016990907_100011935260 [0,1,0,1,0,0|1,0,0]=3 24890 B12R1.8 OCCNN=CC1CCCCC1 4a_100000210001_100000211278 [0,1,0,1,0,0|1,0,1]=4 24891 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,1,0,1,0,0|0,0,0]=2 24892 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,1,0,1,0,0|0,0,0]=2 24893 B12R1.8 OCCOCCC1CCCCN1 34a_100000211664_100000211926 [0,1,0,1,0,0|1,0,0]=3 24894 B12R1.8 OCCOCCC1CCCNC1 34a_100000752241_100000211926 [0,1,0,1,0,0|1,0,0]=3 24895 B12R1.8 OCCOCCC1CCNCC1 34a_100015190746_100000211926 [0,1,0,1,0,0|1,0,0]=3 24896 B12R1.8 OCCOCCC1CCOCC1 34a_100011933979_100000211926 [0,1,0,1,0,0|1,0,0]=3 24897 B12R1.8 OCCOCCC1CCOCC1 7a_100011933979_100000211926 [0,1,0,1,0,0|1,0,0]=3 24898 B12R1.8 OCCOCCC1SCCCS1 34a_200011025297_100000211926 [0,1,0,1,0,0|2,0,0]=4 24899 B12R1.8 OCCOCCC1SCCCS1 7a_200011025297_100000211926 [0,1,0,1,0,0|2,0,0]=4 24900 B12R1.8 OCCOCCN1CCCOC1 2230a_100000131196_100011215305 [0,1,0,1,0,0|2,0,0]=4 24901 B12R1.8 OCCOCCN1CCCOC1 269982a_100000131196_100011215305 [0,1,0,1,0,0|2,0,0]=4 24902 B12R1.8 OCCOCCN1CCCOC1 34a_100000131196_100000692535 [0,1,0,1,0,0|2,0,0]=4 24903 B12R1.8 OCCOCCN1CCOCC1 2230a_100015191051_100011215305 [0,1,0,1,0,0|2,0,0]=4 24904 B12R1.8 OCCOCCN1CCOCC1 269982a_100015191051_100011215305 [0,1,0,1,0,0|2,0,0]=4 24905 B12R1.8 OCCOCCN1CCOCC1 34a_100015191051_100000692535 [0,1,0,1,0,0|2,0,0]=4 24906 B12R1.8 OCCOCCN1CCSCC1 2230a_100000737611_100011215305 [0,1,0,1,0,0|2,0,0]=4 24907 B12R1.8 OCCOCCN1CCSCC1 269982a_100000737611_100011215305 [0,1,0,1,0,0|2,0,0]=4 24908 B12R1.8 OCCOCCN1CCSCC1 7a_100000686052_100000211926 [0,1,0,1,0,0|2,0,0]=4 24909 B12R1.8 OCCOCC[C@@H]1CNCCN1 34a_100016989929_100000211926 [0,1,0,1,0,0|2,0,0]=4 24910 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,1,0,1,0,0|0,0,0]=2 24911 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,1,0,1,0,0|0,0,0]=2 24912 B12R1.8 OCCSCCC1CCOCC1 62a_100000211926_100011934994 [0,1,0,1,0,0|1,0,0]=3 24913 B12R1.8 OCCSCCC1CCOCC1 62a_100011934994_100000211926 [0,1,0,1,0,0|1,0,0]=3 24914 B12R1.8 OCCSCCC1OCCCO1 62a_100000211926_100000764188 [0,1,0,1,0,0|2,0,0]=4 24915 B12R1.8 OCCSCCC1OCCCO1 62a_100000764188_100000211926 [0,1,0,1,0,0|2,0,0]=4 24916 B12R1.8 OCCSCCN1CCCCC1 62a_100000211926_100000739454 [0,1,0,1,0,0|1,0,0]=3 24917 B12R1.8 OCCSCCN1CCCCC1 62a_100000739454_100000211926 [0,1,0,1,0,0|1,0,0]=3 24918 B12R1.8 OCCSCCN1CCOCC1 62a_100000211926_100000211760 [0,1,0,1,0,0|2,0,0]=4 24919 B12R1.8 OCCSCOC1CCCCC1 62a_100000211926_100011935260 [0,1,0,1,0,0|1,0,0]=3 24920 B12R1.8 OCCSCOC1CCCCC1 62a_100011935260_100000211926 [0,1,0,1,0,0|1,0,0]=3 24921 B12R1.8 [13CH3]NCCCOC1CCCCC1 34a_100000205933_200025704644 [0,1,0,1,0,0|2,0,0]=4 24922 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,1,0,1,0,0|0,0,0]=2 24923 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,1,0,1,0,0|0,0,0]=2 24924 B12R1.8 [13CH3]OCCCCC1CCNCC1 34a_100016989291_200025704644 [0,1,0,1,0,0|1,0,0]=3 24925 B12R1.8 [13CH3]OCCCCN1CCOCC1 34a_100000723369_200025704644 [0,1,0,1,0,0|2,0,0]=4 24926 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_100000700653_200025704644 [0,1,0,1,0,0|1,0,0]=3 24927 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_200025704644_100000700653 [0,1,0,1,0,0|1,0,0]=3 24928 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,1,0,1,0,0|0,0,2]=4 24929 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,1,0,1,0,0|0,0,2]=4 24930 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,1,0,1,0,0|1,0,1]=4 24931 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,1,0,1,0,0|1,0,1]=4 24932 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [0,1,0,1,0,0|1,0,0]=3 24933 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [0,1,0,1,0,0|1,0,0]=3 24934 B12R1.37 BrCCCCCOC1CCOC1 34a_100000746331_100000690089 [0,1,0,1,0,0|2,0,0]=4 24935 B12R1.37 BrCCCCCOC1CCOC1 7a_100000746331_100000731011 [0,1,0,1,0,0|2,0,0]=4 24936 B12R1.37 BrCCCCOCC1CCCC1 34a_100011216708_100000740388 [0,1,0,1,0,0|1,0,0]=3 24937 B12R1.37 BrCCCCOCC1CCOC1 34a_100011216708_100011261433 [0,1,0,1,0,0|2,0,0]=4 24938 B12R1.37 BrCCCCOCC1OCCO1 34a_100011216708_100000755774 [0,1,0,1,0,0|2,0,0]=4 24939 B12R1.37 BrCCCOCCC1CCCC1 34a_100011217188_100000760354 [0,1,0,1,0,0|1,0,0]=3 24940 B12R1.37 BrCCCOCCC1OCCO1 34a_100011217188_100000740749 [0,1,0,1,0,0|2,0,0]=4 24941 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [0,1,0,1,0,0|1,0,0]=3 24942 B12R1.37 BrCCOCCCC1OCCO1 34a_100000211926_100009861162 [0,1,0,1,0,0|2,0,0]=4 24943 B12R1.37 BrCCOCCCN1CCCC1 34a_100000211926_100016991639 [0,1,0,1,0,0|2,0,0]=4 24944 B12R1.37 BrCCOCCOC1CCCC1 34a_100000692535_100000179811 [0,1,0,1,0,0|2,0,0]=4 24945 B12R1.37 BrCCOCCOC1CCCC1 7a_100000692535_100000179811 [0,1,0,1,0,0|2,0,0]=4 24946 B12R1.37 C#CCCCCCN1CCCC1 2230a_100000188435_100012094781 [0,1,0,1,0,0|1,0,1]=4 24947 B12R1.37 C#CCCCCCN1CCCC1 269982a_100000188435_100012094781 [0,1,0,1,0,0|1,0,1]=4 24948 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000211070_100010269958 [0,1,0,1,0,0|1,0,1]=4 24949 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000706060_100000179811 [0,1,0,1,0,0|1,0,1]=4 24950 B12R1.37 C#CCCCCNC1CCCC1 34a_100000211070_100010269958 [0,1,0,1,0,0|1,0,1]=4 24951 B12R1.37 C#CCCCCNC1CCCC1 34a_100000706060_100000179811 [0,1,0,1,0,0|1,0,1]=4 24952 B12R1.37 C#CCCCCOC1CCCC1 34a_100000210269_100010269958 [0,1,0,1,0,0|1,0,1]=4 24953 B12R1.37 C#CCCCCOC1CCCC1 34a_100000766709_100000179811 [0,1,0,1,0,0|1,0,1]=4 24954 B12R1.37 C#CCCCCOC1CCCC1 7a_100000210269_100010269958 [0,1,0,1,0,0|1,0,1]=4 24955 B12R1.37 C#CCCCCOC1CCCC1 7a_100000766709_100000179811 [0,1,0,1,0,0|1,0,1]=4 24956 B12R1.37 C#CCCCCOC1CCCO1 34a_100000085407_100010269958 [0,1,0,1,0,0|0,0,2]=4 24957 B12R1.37 C#CCCCCSC1CCCC1 62a_100010269958_100000179811 [0,1,0,1,0,0|1,0,1]=4 24958 B12R1.37 C#CCCCCSC1CCCC1 62a_100011217020_100010269958 [0,1,0,1,0,0|1,0,1]=4 24959 B12R1.37 C#CCCCNCC1CCCC1 2230a_100000737975_100000731252 [0,1,0,1,0,0|1,0,1]=4 24960 B12R1.37 C#CCCCNCC1CCCC1 34a_100000718082_100000740388 [0,1,0,1,0,0|1,0,1]=4 24961 B12R1.37 C#CCCCNCC1CCCC1 34a_100000737975_100000695029 [0,1,0,1,0,0|1,0,1]=4 24962 B12R1.37 C#CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000731252 [0,1,0,1,0,0|0,0,2]=4 24963 B12R1.37 C#CCCCNC[C@@H]1CCCO1 34a_100020590478_100000695029 [0,1,0,1,0,0|0,0,2]=4 24964 B12R1.37 C#CCCCOCC1CCCC1 34a_100000215630_100000740388 [0,1,0,1,0,0|1,0,1]=4 24965 B12R1.37 C#CCCCOCC1CCCC1 34a_100000742336_100000695029 [0,1,0,1,0,0|1,0,1]=4 24966 B12R1.37 C#CCCCOCC1CCCC1 7a_100000215630_100000740388 [0,1,0,1,0,0|1,0,1]=4 24967 B12R1.37 C#CCCCOCC1CCCC1 7a_100000742336_100011215417 [0,1,0,1,0,0|1,0,1]=4 24968 B12R1.37 C#CCCCOCC1CCCO1 34a_100000210270_100000695029 [0,1,0,1,0,0|0,0,2]=4 24969 B12R1.37 C#CCCCOCC1CCCO1 7a_100000210270_100011215417 [0,1,0,1,0,0|0,0,2]=4 24970 B12R1.37 C#CCCCOCC1CCCO1 7a_100000215630_100000203698 [0,1,0,1,0,0|0,0,2]=4 24971 B12R1.37 C#CCCCSCC1CCCC1 62a_100000740388_100011215417 [0,1,0,1,0,0|1,0,1]=4 24972 B12R1.37 C#CCCCSCC1CCCC1 62a_100011215417_100000740388 [0,1,0,1,0,0|1,0,1]=4 24973 B12R1.37 C#CCCCSCC1CCCO1 62a_100000203698_100011215417 [0,1,0,1,0,0|0,0,2]=4 24974 B12R1.37 C#CCCCSCC1CCCO1 62a_100011215417_100000203698 [0,1,0,1,0,0|0,0,2]=4 24975 B12R1.37 C#CCCNCCC1CCCC1 2230a_100000739158_100000688953 [0,1,0,1,0,0|1,0,1]=4 24976 B12R1.37 C#CCCNCCC1CCCC1 34a_100000739158_100000688953 [0,1,0,1,0,0|1,0,1]=4 24977 B12R1.37 C#CCCNCCC1CCCC1 34a_100000755551_100000760354 [0,1,0,1,0,0|1,0,1]=4 24978 B12R1.37 C#CCCOCCC1CCCC1 34a_100000749090_100000688953 [0,1,0,1,0,0|1,0,1]=4 24979 B12R1.37 C#CCCOCCC1CCCC1 34a_100011215631_100000760354 [0,1,0,1,0,0|1,0,1]=4 24980 B12R1.37 C#CCCOCCC1CCCC1 7a_100000749090_100000688953 [0,1,0,1,0,0|1,0,1]=4 24981 B12R1.37 C#CCCSCCC1CCCC1 62a_100000688953_100000760354 [0,1,0,1,0,0|1,0,1]=4 24982 B12R1.37 C#CCCSCCC1CCCC1 62a_100000760354_100000688953 [0,1,0,1,0,0|1,0,1]=4 24983 B12R1.37 C#CCNCCCC1CCCC1 2230a_100000736752_100000038162 [0,1,0,1,0,0|1,0,1]=4 24984 B12R1.37 C#CCNCCCC1CCCC1 34a_100000212058_100011713738 [0,1,0,1,0,0|1,0,1]=4 24985 B12R1.37 C#CCNCCCC1CCCC1 34a_100000736752_100000184674 [0,1,0,1,0,0|1,0,1]=4 24986 B12R1.37 C#CCOCCCC1CCCC1 34a_100000210247_100011713738 [0,1,0,1,0,0|1,0,1]=4 24987 B12R1.37 C#CCOCCCC1CCCC1 34a_100011215328_100000184674 [0,1,0,1,0,0|1,0,1]=4 24988 B12R1.37 C#CCOCCCC1CCCC1 7a_100011215328_100000038162 [0,1,0,1,0,0|1,0,1]=4 24989 B12R1.37 C#CCSCCCC1CCCC1 62a_100000038162_100011713738 [0,1,0,1,0,0|1,0,1]=4 24990 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,1,0,1,0,0|1,0,1]=4 24991 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,1,0,1,0,0|1,0,1]=4 24992 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,1,0,1,0,0|1,0,1]=4 24993 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,1,0,1,0,0|1,0,1]=4 24994 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,1,0,1,0,0|1,0,1]=4 24995 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,1,0,1,0,0|1,0,1]=4 24996 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,1,0,1,0,0|1,0,1]=4 24997 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,1,0,1,0,0|1,0,1]=4 24998 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,1,0,1,0,0|1,0,1]=4 24999 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,1,0,1,0,0|1,0,1]=4 25000 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,1,0,1,0,0|1,0,1]=4 25001 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,1,0,1,0,0|0,0,2]=4 25002 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,1,0,1,0,0|1,0,1]=4 25003 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,1,0,1,0,0|1,0,1]=4 25004 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [0,1,0,1,0,0|1,0,1]=4 25005 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [0,1,0,1,0,0|1,0,1]=4 25006 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [0,1,0,1,0,0|1,0,1]=4 25007 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [0,1,0,1,0,0|1,0,1]=4 25008 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [0,1,0,1,0,0|1,0,1]=4 25009 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [0,1,0,1,0,0|0,0,2]=4 25010 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [0,1,0,1,0,0|0,0,2]=4 25011 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [0,1,0,1,0,0|0,0,2]=4 25012 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,1,0,1,0,0|1,0,1]=4 25013 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,1,0,1,0,0|1,0,1]=4 25014 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,1,0,1,0,0|1,0,1]=4 25015 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,1,0,1,0,0|1,0,1]=4 25016 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,1,0,1,0,0|0,0,2]=4 25017 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,1,0,1,0,0|0,0,2]=4 25018 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,1,0,1,0,0|0,0,2]=4 25019 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [0,1,0,1,0,0|1,0,1]=4 25020 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [0,1,0,1,0,0|1,0,1]=4 25021 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [0,1,0,1,0,0|0,0,2]=4 25022 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [0,1,0,1,0,0|0,0,2]=4 25023 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [0,1,0,1,0,0|1,0,1]=4 25024 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [0,1,0,1,0,0|1,0,1]=4 25025 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [0,1,0,1,0,0|1,0,1]=4 25026 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [0,1,0,1,0,0|1,0,1]=4 25027 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [0,1,0,1,0,0|1,0,1]=4 25028 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [0,1,0,1,0,0|1,0,1]=4 25029 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [0,1,0,1,0,0|1,0,1]=4 25030 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [0,1,0,1,0,0|1,0,1]=4 25031 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [0,1,0,1,0,0|1,0,1]=4 25032 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [0,1,0,1,0,0|1,0,1]=4 25033 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [0,1,0,1,0,0|1,0,1]=4 25034 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [0,1,0,1,0,0|1,0,1]=4 25035 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [0,1,0,1,0,0|1,0,1]=4 25036 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [0,1,0,1,0,0|1,0,1]=4 25037 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [0,1,0,1,0,0|1,0,1]=4 25038 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [0,1,0,1,0,0|1,0,1]=4 25039 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [0,1,0,1,0,0|0,0,2]=4 25040 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 2230a_100020590478_100103147603 [0,1,0,1,0,0|0,0,2]=4 25041 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 34a_100020590478_100103147603 [0,1,0,1,0,0|0,0,2]=4 25042 B12R1.37 CC/C=C\COCC1CCCO1 34a_100000210270_100103147603 [0,1,0,1,0,0|0,0,2]=4 25043 B12R1.37 CC/C=C\COCC1CCCO1 7a_100000210270_100103147603 [0,1,0,1,0,0|0,0,2]=4 25044 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100000203698_100103147603 [0,1,0,1,0,0|0,0,2]=4 25045 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100103147603_100000203698 [0,1,0,1,0,0|0,0,2]=4 25046 B12R1.37 CCC#CCNC[C@@H]1CCCO1 2230a_100020590478_100009813939 [0,1,0,1,0,0|0,0,2]=4 25047 B12R1.37 CCC#CCNC[C@@H]1CCCO1 34a_100020590478_100009813939 [0,1,0,1,0,0|0,0,2]=4 25048 B12R1.37 CCC#CCOCC1CCCO1 34a_100000210270_100009813939 [0,1,0,1,0,0|0,0,2]=4 25049 B12R1.37 CCC#CCOCC1CCCO1 7a_100000210270_100009813939 [0,1,0,1,0,0|0,0,2]=4 25050 B12R1.37 CCC#CCSCC1CCCO1 62a_100000203698_100009813939 [0,1,0,1,0,0|0,0,2]=4 25051 B12R1.37 CCC#CCSCC1CCCO1 62a_100009813939_100000203698 [0,1,0,1,0,0|0,0,2]=4 25052 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,1,0,1,0,0|1,0,0]=3 25053 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,1,0,1,0,0|1,0,0]=3 25054 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,1,0,1,0,0|1,1,0]=4 25055 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,1,0,1,0,0|1,1,0]=4 25056 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [0,1,0,1,0,0|1,0,0]=3 25057 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [0,1,0,1,0,0|1,0,0]=3 25058 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [0,1,0,1,0,0|1,0,0]=3 25059 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [0,1,0,1,0,0|1,0,0]=3 25060 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [0,1,0,1,0,0|1,0,0]=3 25061 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [0,1,0,1,0,0|1,0,0]=3 25062 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [0,1,0,1,0,0|1,1,0]=4 25063 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [0,1,0,1,0,0|1,0,0]=3 25064 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [0,1,0,1,0,0|1,0,0]=3 25065 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [0,1,0,1,0,0|1,0,0]=3 25066 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,1,0,1,0,0|1,0,0]=3 25067 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,1,0,1,0,0|1,0,0]=3 25068 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,1,0,1,0,0|1,0,0]=3 25069 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,1,0,1,0,0|1,0,0]=3 25070 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,1,0,1,0,0|0,0,0]=2 25071 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [0,1,0,1,0,0|1,0,0]=3 25072 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [0,1,0,1,0,0|1,0,0]=3 25073 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [0,1,0,1,0,0|1,1,0]=4 25074 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [0,1,0,1,0,0|1,0,0]=3 25075 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [0,1,0,1,0,0|1,0,0]=3 25076 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [0,1,0,1,0,0|1,0,0]=3 25077 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [0,1,0,1,0,0|1,0,0]=3 25078 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [0,1,0,1,0,0|1,0,0]=3 25079 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [0,1,0,1,0,0|1,0,0]=3 25080 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [0,1,0,1,0,0|1,0,0]=3 25081 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [0,1,0,1,0,0|1,0,0]=3 25082 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,1,0,1,0,0|0,0,0]=2 25083 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [0,1,0,1,0,0|1,0,0]=3 25084 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [0,1,0,1,0,0|1,0,0]=3 25085 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [0,1,0,1,0,0|1,0,0]=3 25086 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,1,0,1,0,0|1,0,0]=3 25087 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,1,0,1,0,0|1,0,0]=3 25088 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,1,0,1,0,0|1,0,0]=3 25089 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,1,0,1,0,0|0,0,0]=2 25090 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,1,0,1,0,0|0,0,0]=2 25091 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,1,0,1,0,0|1,0,0]=3 25092 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,1,0,1,0,0|1,0,0]=3 25093 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,1,0,1,0,0|1,0,0]=3 25094 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,1,0,1,0,0|1,0,0]=3 25095 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,1,0,1,0,0|0,0,0]=2 25096 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,1,0,1,0,0|0,0,0]=2 25097 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,1,0,1,0,0|0,0,0]=2 25098 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [0,1,0,1,0,0|2,0,0]=4 25099 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [0,1,0,1,0,0|1,0,0]=3 25100 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [0,1,0,1,0,0|1,0,0]=3 25101 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [0,1,0,1,0,0|1,0,0]=3 25102 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [0,1,0,1,0,0|1,0,0]=3 25103 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,1,0,1,0,0|1,0,0]=3 25104 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,1,0,1,0,0|1,0,0]=3 25105 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,1,0,1,0,0|1,0,0]=3 25106 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,1,0,1,0,0|1,0,0]=3 25107 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [0,1,0,1,0,0|1,0,0]=3 25108 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [0,1,0,1,0,0|1,0,0]=3 25109 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,1,0,1,0,0|0,0,0]=2 25110 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,1,0,1,0,0|0,0,0]=2 25111 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [0,1,0,1,0,0|1,0,0]=3 25112 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [0,1,0,1,0,0|1,0,0]=3 25113 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,1,0,1,0,0|1,0,0]=3 25114 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,1,0,1,0,0|1,0,0]=3 25115 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [0,1,0,1,0,0|1,0,0]=3 25116 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [0,1,0,1,0,0|1,0,0]=3 25117 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [0,1,0,1,0,0|1,0,0]=3 25118 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [0,1,0,1,0,0|1,0,0]=3 25119 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,1,0,1,0,0|1,0,0]=3 25120 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,1,0,1,0,0|1,0,0]=3 25121 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,1,0,1,0,0|1,0,0]=3 25122 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,1,0,1,0,0|1,0,0]=3 25123 B12R1.37 CCCCNCCN1CCCC1 7a_106832991798_100000004467 [0,1,0,1,0,0|2,0,0]=4 25124 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,1,0,1,0,0|1,0,0]=3 25125 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,1,0,1,0,0|1,0,0]=3 25126 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,1,0,1,0,0|1,0,0]=3 25127 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,1,0,1,0,0|1,0,0]=3 25128 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,1,0,1,0,0|2,0,0]=4 25129 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,1,0,1,0,0|1,0,0]=3 25130 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,1,0,1,0,0|1,0,0]=3 25131 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,1,0,1,0,0|1,0,0]=3 25132 B12R1.37 CCCCOCCN1CCCC1 2230a_100000188435_100000743108 [0,1,0,1,0,0|2,0,0]=4 25133 B12R1.37 CCCCOCCN1CCCC1 269982a_100000188435_100000743108 [0,1,0,1,0,0|2,0,0]=4 25134 B12R1.37 CCCCOCCN1CCCC1 7a_100000210227_100000004467 [0,1,0,1,0,0|2,0,0]=4 25135 B12R1.37 CCCCOCNC1CCCC1 2230a_100000211070_100011995733 [0,1,0,1,0,0|2,0,0]=4 25136 B12R1.37 CCCCOCNC1CCCC1 34a_100000211070_100011995733 [0,1,0,1,0,0|2,0,0]=4 25137 B12R1.37 CCCCOCN[C@@H]1CCOC1 2230a_200015188469_100011995733 [0,1,0,1,0,0|2,0,0]=4 25138 B12R1.37 CCCCOCN[C@H]1CCOC1 2230a_100015188467_100011995733 [0,1,0,1,0,0|2,0,0]=4 25139 B12R1.37 CCCCOCN[C@H]1CCOC1 34a_100015188467_100011995733 [0,1,0,1,0,0|2,0,0]=4 25140 B12R1.37 CCCCOCOC1CCCC1 34a_100000210269_100011995733 [0,1,0,1,0,0|2,0,0]=4 25141 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [0,1,0,1,0,0|1,0,0]=3 25142 B12R1.37 CCCCOCO[C@H]1CCOC1 34a_100000717292_100011995733 [0,1,0,1,0,0|2,0,0]=4 25143 B12R1.37 CCCCOCSC1CCCC1 62a_100011217020_100011995733 [0,1,0,1,0,0|2,0,0]=4 25144 B12R1.37 CCCCOCSC1CCCC1 62a_100011995733_100000179811 [0,1,0,1,0,0|2,0,0]=4 25145 B12R1.37 CCCCOCSC1CCOC1 62a_100011995733_100000690089 [0,1,0,1,0,0|2,0,0]=4 25146 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [0,1,0,1,0,0|1,0,0]=3 25147 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [0,1,0,1,0,0|1,0,0]=3 25148 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,1,0,1,0,0|1,0,0]=3 25149 B12R1.37 CCCCSCCN1CCCC1 62a_100000210211_100000004467 [0,1,0,1,0,0|2,0,0]=4 25150 B12R1.37 CCCCSCCN1CCCC1 62a_100000700749_100000210210 [0,1,0,1,0,0|2,0,0]=4 25151 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,1,0,1,0,0|1,0,0]=3 25152 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,1,0,1,0,0|1,0,0]=3 25153 B12R1.37 CCCNCCOC1CCCC1 34a_100000741755_100000210303 [0,1,0,1,0,0|2,0,0]=4 25154 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,1,0,1,0,0|1,0,0]=3 25155 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,1,0,1,0,0|1,0,0]=3 25156 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,1,0,1,0,0|1,0,0]=3 25157 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [0,1,0,1,0,0|1,0,0]=3 25158 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [0,1,0,1,0,0|1,0,0]=3 25159 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [0,1,0,1,0,0|1,0,0]=3 25160 B12R1.37 CCCOCCCN1CCCC1 34a_100000210258_100016991639 [0,1,0,1,0,0|2,0,0]=4 25161 B12R1.37 CCCOCCNC1CCCC1 2230a_100000211070_100011215938 [0,1,0,1,0,0|2,0,0]=4 25162 B12R1.37 CCCOCCNC1CCCC1 2230a_100161115042_100000179811 [0,1,0,1,0,0|2,0,0]=4 25163 B12R1.37 CCCOCCNC1CCCC1 270004a_100161115042_100000210133 [0,1,0,1,0,0|2,0,0]=4 25164 B12R1.37 CCCOCCNC1CCCC1 34a_100000211070_100011215938 [0,1,0,1,0,0|2,0,0]=4 25165 B12R1.37 CCCOCCNC1CCCC1 34a_100161115042_100000179811 [0,1,0,1,0,0|2,0,0]=4 25166 B12R1.37 CCCOCCNC1CCCC1 34a_200000200444_100000210303 [0,1,0,1,0,0|2,0,0]=4 25167 B12R1.37 CCCOCCNC1CCOC1 2230a_100161115042_100000731011 [0,1,0,1,0,0|2,0,0]=4 25168 B12R1.37 CCCOCCNC1CCOC1 270004a_100161115042_100000752484 [0,1,0,1,0,0|2,0,0]=4 25169 B12R1.37 CCCOCCNC1CCOC1 34a_100161115042_100000690089 [0,1,0,1,0,0|2,0,0]=4 25170 B12R1.37 CCCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215938 [0,1,0,1,0,0|2,0,0]=4 25171 B12R1.37 CCCOCCN[C@H]1CCOC1 2230a_100015188467_100011215938 [0,1,0,1,0,0|2,0,0]=4 25172 B12R1.37 CCCOCCN[C@H]1CCOC1 34a_100015188467_100011215938 [0,1,0,1,0,0|2,0,0]=4 25173 B12R1.37 CCCOCCOC1CCCC1 34a_100000210269_100011215938 [0,1,0,1,0,0|2,0,0]=4 25174 B12R1.37 CCCOCCOC1CCCC1 34a_100000738311_100000210303 [0,1,0,1,0,0|2,0,0]=4 25175 B12R1.37 CCCOCCOC1CCCC1 34a_100000752267_100000179811 [0,1,0,1,0,0|2,0,0]=4 25176 B12R1.37 CCCOCCOC1CCCC1 7a_100000210269_100011215938 [0,1,0,1,0,0|2,0,0]=4 25177 B12R1.37 CCCOCCOC1CCCC1 7a_100000738311_100000210303 [0,1,0,1,0,0|2,0,0]=4 25178 B12R1.37 CCCOCCOC1CCCC1 7a_100000752267_100000179811 [0,1,0,1,0,0|2,0,0]=4 25179 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [0,1,0,1,0,0|1,0,0]=3 25180 B12R1.37 CCCOCCOC1CCOC1 34a_100000752267_100000690089 [0,1,0,1,0,0|2,0,0]=4 25181 B12R1.37 CCCOCCOC1CCOC1 7a_100000752267_100000731011 [0,1,0,1,0,0|2,0,0]=4 25182 B12R1.37 CCCOCCO[C@H]1CCOC1 34a_100000717292_100011215938 [0,1,0,1,0,0|2,0,0]=4 25183 B12R1.37 CCCOCCSC1CCCC1 62a_100011215938_100000179811 [0,1,0,1,0,0|2,0,0]=4 25184 B12R1.37 CCCOCCSC1CCCC1 62a_100011217020_100011215938 [0,1,0,1,0,0|2,0,0]=4 25185 B12R1.37 CCCOCCSC1CCOC1 62a_100011215938_100000690089 [0,1,0,1,0,0|2,0,0]=4 25186 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,1,0,1,0,0|1,0,0]=3 25187 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,1,0,1,0,0|1,0,0]=3 25188 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [0,1,0,1,0,0|1,0,0]=3 25189 B12R1.37 CCCSCCCN1CCCC1 62a_100000210303_100011445909 [0,1,0,1,0,0|2,0,0]=4 25190 B12R1.37 CCCSCCCN1CCCC1 62a_100016991639_100000210303 [0,1,0,1,0,0|2,0,0]=4 25191 B12R1.37 CCCSCCNC1CCCC1 2230a_100020603323_100000179811 [0,1,0,1,0,0|2,0,0]=4 25192 B12R1.37 CCCSCCNC1CCCC1 270004a_100020603323_100000210133 [0,1,0,1,0,0|2,0,0]=4 25193 B12R1.37 CCCSCCNC1CCOC1 2230a_100020603323_100000731011 [0,1,0,1,0,0|2,0,0]=4 25194 B12R1.37 CCCSCCNC1CCOC1 270004a_100020603323_100000752484 [0,1,0,1,0,0|2,0,0]=4 25195 B12R1.37 CCCSCCOC1CCCC1 34a_200000230433_100000179811 [0,1,0,1,0,0|2,0,0]=4 25196 B12R1.37 CCCSCCOC1CCCC1 7a_200000230433_100000179811 [0,1,0,1,0,0|2,0,0]=4 25197 B12R1.37 CCCSCCOC1CCOC1 34a_200000230433_100000690089 [0,1,0,1,0,0|2,0,0]=4 25198 B12R1.37 CCCSCCOC1CCOC1 7a_200000230433_100000731011 [0,1,0,1,0,0|2,0,0]=4 25199 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [0,1,0,1,0,0|1,0,0]=3 25200 B12R1.37 CCNCCCOC1CCCC1 34a_100000747560_100000210202 [0,1,0,1,0,0|2,0,0]=4 25201 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [0,1,0,1,0,0|1,0,0]=3 25202 B12R1.37 CCOCCCNC1CCCC1 2230a_100000210961_100000179811 [0,1,0,1,0,0|2,0,0]=4 25203 B12R1.37 CCOCCCNC1CCCC1 2230a_100000211070_100012232248 [0,1,0,1,0,0|2,0,0]=4 25204 B12R1.37 CCOCCCNC1CCCC1 270004a_100000210961_100000210133 [0,1,0,1,0,0|2,0,0]=4 25205 B12R1.37 CCOCCCNC1CCCC1 34a_100000210961_100000179811 [0,1,0,1,0,0|2,0,0]=4 25206 B12R1.37 CCOCCCNC1CCCC1 34a_100000211070_100012232248 [0,1,0,1,0,0|2,0,0]=4 25207 B12R1.37 CCOCCCNC1CCOC1 2230a_100000210961_100000731011 [0,1,0,1,0,0|2,0,0]=4 25208 B12R1.37 CCOCCCNC1CCOC1 270004a_100000210961_100000752484 [0,1,0,1,0,0|2,0,0]=4 25209 B12R1.37 CCOCCCNC1CCOC1 34a_100000210961_100000690089 [0,1,0,1,0,0|2,0,0]=4 25210 B12R1.37 CCOCCCN[C@@H]1CCOC1 2230a_200015188469_100012232248 [0,1,0,1,0,0|2,0,0]=4 25211 B12R1.37 CCOCCCN[C@H]1CCOC1 2230a_100015188467_100012232248 [0,1,0,1,0,0|2,0,0]=4 25212 B12R1.37 CCOCCCN[C@H]1CCOC1 34a_100015188467_100012232248 [0,1,0,1,0,0|2,0,0]=4 25213 B12R1.37 CCOCCCOC1CCCC1 34a_100000210269_100012232248 [0,1,0,1,0,0|2,0,0]=4 25214 B12R1.37 CCOCCCOC1CCCC1 34a_100000757476_100000179811 [0,1,0,1,0,0|2,0,0]=4 25215 B12R1.37 CCOCCCOC1CCCC1 7a_100000210269_100012232248 [0,1,0,1,0,0|2,0,0]=4 25216 B12R1.37 CCOCCCOC1CCCC1 7a_100000757476_100000179811 [0,1,0,1,0,0|2,0,0]=4 25217 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [0,1,0,1,0,0|1,0,0]=3 25218 B12R1.37 CCOCCCOC1CCOC1 34a_100000757476_100000690089 [0,1,0,1,0,0|2,0,0]=4 25219 B12R1.37 CCOCCCOC1CCOC1 7a_100000757476_100000731011 [0,1,0,1,0,0|2,0,0]=4 25220 B12R1.37 CCOCCCO[C@H]1CCOC1 34a_100000717292_100012232248 [0,1,0,1,0,0|2,0,0]=4 25221 B12R1.37 CCOCCCSC1CCCC1 62a_100011217020_100012232248 [0,1,0,1,0,0|2,0,0]=4 25222 B12R1.37 CCOCCCSC1CCCC1 62a_100012232248_100000179811 [0,1,0,1,0,0|2,0,0]=4 25223 B12R1.37 CCOCCCSC1CCOC1 62a_100012232248_100000690089 [0,1,0,1,0,0|2,0,0]=4 25224 B12R1.37 CCOCCNCC1CCCC1 2230a_100000737975_100011215890 [0,1,0,1,0,0|2,0,0]=4 25225 B12R1.37 CCOCCNCC1CCCC1 2230a_102516460346_100000740388 [0,1,0,1,0,0|2,0,0]=4 25226 B12R1.37 CCOCCNCC1CCCC1 269862a_100011200944_100000746403 [0,1,0,1,0,0|2,0,0]=4 25227 B12R1.37 CCOCCNCC1CCCC1 34a_100000737975_100000210147 [0,1,0,1,0,0|2,0,0]=4 25228 B12R1.37 CCOCCNCC1CCCC1 34a_102516460346_100000740388 [0,1,0,1,0,0|2,0,0]=4 25229 B12R1.37 CCOCCNCC1CCCO1 2230a_102516460346_100000203698 [0,1,0,1,0,0|1,0,0]=3 25230 B12R1.37 CCOCCNCC1CCOC1 2230a_100000737293_100011215890 [0,1,0,1,0,0|2,0,0]=4 25231 B12R1.37 CCOCCNCC1CCOC1 2230a_102516460346_100000702531 [0,1,0,1,0,0|2,0,0]=4 25232 B12R1.37 CCOCCNCC1CCOC1 34a_100000737293_100000210147 [0,1,0,1,0,0|2,0,0]=4 25233 B12R1.37 CCOCCNCC1CCOC1 34a_102516460346_100011261433 [0,1,0,1,0,0|2,0,0]=4 25234 B12R1.37 CCOCCNCC1OCCO1 2230a_100000036311_100011215890 [0,1,0,1,0,0|2,0,0]=4 25235 B12R1.37 CCOCCNCC1OCCO1 2230a_102516460346_100000755774 [0,1,0,1,0,0|2,0,0]=4 25236 B12R1.37 CCOCCNCC1OCCO1 34a_100000036311_100000210147 [0,1,0,1,0,0|2,0,0]=4 25237 B12R1.37 CCOCCNCC1OCCO1 34a_102516460346_100000755774 [0,1,0,1,0,0|2,0,0]=4 25238 B12R1.37 CCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215890 [0,1,0,1,0,0|1,0,0]=3 25239 B12R1.37 CCOCCNC[C@@H]1CCCO1 34a_100020590478_100000210147 [0,1,0,1,0,0|1,0,0]=3 25240 B12R1.37 CCOCCOCC1CCCC1 34a_100000210136_100000740388 [0,1,0,1,0,0|2,0,0]=4 25241 B12R1.37 CCOCCOCC1CCCC1 34a_100000742336_100000210147 [0,1,0,1,0,0|2,0,0]=4 25242 B12R1.37 CCOCCOCC1CCCC1 7a_100000210136_100000740388 [0,1,0,1,0,0|2,0,0]=4 25243 B12R1.37 CCOCCOCC1CCCC1 7a_100000742336_100011215890 [0,1,0,1,0,0|2,0,0]=4 25244 B12R1.37 CCOCCOCC1CCCO1 34a_100000210270_100000210147 [0,1,0,1,0,0|1,0,0]=3 25245 B12R1.37 CCOCCOCC1CCCO1 7a_100000210136_100000203698 [0,1,0,1,0,0|1,0,0]=3 25246 B12R1.37 CCOCCOCC1CCCO1 7a_100000210270_100011215890 [0,1,0,1,0,0|1,0,0]=3 25247 B12R1.37 CCOCCOCC1CCOC1 34a_100000210136_100011261433 [0,1,0,1,0,0|2,0,0]=4 25248 B12R1.37 CCOCCOCC1CCOC1 34a_100000740260_100000210147 [0,1,0,1,0,0|2,0,0]=4 25249 B12R1.37 CCOCCOCC1CCOC1 7a_100000210136_100000702531 [0,1,0,1,0,0|2,0,0]=4 25250 B12R1.37 CCOCCOCC1COCO1 34a_100011216627_100000210147 [0,1,0,1,0,0|2,0,0]=4 25251 B12R1.37 CCOCCOCC1OCCO1 34a_100000087154_100000210147 [0,1,0,1,0,0|2,0,0]=4 25252 B12R1.37 CCOCCOCC1OCCO1 34a_100000210136_100000755774 [0,1,0,1,0,0|2,0,0]=4 25253 B12R1.37 CCOCCOCC1OCCO1 7a_100000210136_100000755774 [0,1,0,1,0,0|2,0,0]=4 25254 B12R1.37 CCOCCOC[C@H]1CCCN1 34a_100000745186_100000210147 [0,1,0,1,0,0|2,0,0]=4 25255 B12R1.37 CCOCCSCC1CCCC1 62a_100000210147_100000740388 [0,1,0,1,0,0|2,0,0]=4 25256 B12R1.37 CCOCCSCC1CCCC1 62a_100000740388_100011215890 [0,1,0,1,0,0|2,0,0]=4 25257 B12R1.37 CCOCCSCC1CCCO1 62a_100000203698_100011215890 [0,1,0,1,0,0|1,0,0]=3 25258 B12R1.37 CCOCCSCC1CCCO1 62a_100000210147_100000203698 [0,1,0,1,0,0|1,0,0]=3 25259 B12R1.37 CCOCCSCC1CCOC1 62a_100000210147_100000702531 [0,1,0,1,0,0|2,0,0]=4 25260 B12R1.37 CCOCCSCC1CCOC1 62a_100000702531_100011215890 [0,1,0,1,0,0|2,0,0]=4 25261 B12R1.37 CCOCCSCC1OCCO1 62a_100000210147_100000755774 [0,1,0,1,0,0|2,0,0]=4 25262 B12R1.37 CCOCCSCC1OCCO1 62a_100000755774_100011215890 [0,1,0,1,0,0|2,0,0]=4 25263 B12R1.37 CCOCSCCC1CCCC1 62a_100000739092_100000760354 [0,1,0,1,0,0|2,0,0]=4 25264 B12R1.37 CCOCSCCC1CCCC1 62a_100000760354_100000739092 [0,1,0,1,0,0|2,0,0]=4 25265 B12R1.37 CCOCSCCC1OCCO1 62a_100000739092_100000740749 [0,1,0,1,0,0|2,0,0]=4 25266 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [0,1,0,1,0,0|1,0,0]=3 25267 B12R1.37 CCSCCCOC1CCCC1 34a_100011216438_100000179811 [0,1,0,1,0,0|2,0,0]=4 25268 B12R1.37 CCSCCCOC1CCCC1 7a_100011216438_100000179811 [0,1,0,1,0,0|2,0,0]=4 25269 B12R1.37 CCSCCCOC1CCOC1 34a_100011216438_100000690089 [0,1,0,1,0,0|2,0,0]=4 25270 B12R1.37 CCSCCCOC1CCOC1 7a_100011216438_100000731011 [0,1,0,1,0,0|2,0,0]=4 25271 B12R1.37 CCSCCNCC1CCCC1 2230a_100000106463_100000740388 [0,1,0,1,0,0|2,0,0]=4 25272 B12R1.37 CCSCCNCC1CCCC1 2230a_100000737975_100000757381 [0,1,0,1,0,0|2,0,0]=4 25273 B12R1.37 CCSCCNCC1CCCC1 269862a_100000106463_100000746403 [0,1,0,1,0,0|2,0,0]=4 25274 B12R1.37 CCSCCNCC1CCCC1 34a_100000737975_100000757381 [0,1,0,1,0,0|2,0,0]=4 25275 B12R1.37 CCSCCNCC1CCCO1 2230a_100000106463_100000203698 [0,1,0,1,0,0|1,0,0]=3 25276 B12R1.37 CCSCCNCC1CCOC1 2230a_100000106463_100000702531 [0,1,0,1,0,0|2,0,0]=4 25277 B12R1.37 CCSCCNCC1CCOC1 2230a_100000737293_100000757381 [0,1,0,1,0,0|2,0,0]=4 25278 B12R1.37 CCSCCNCC1CCOC1 34a_100000737293_100000757381 [0,1,0,1,0,0|2,0,0]=4 25279 B12R1.37 CCSCCNCC1OCCO1 2230a_100000036311_100000757381 [0,1,0,1,0,0|2,0,0]=4 25280 B12R1.37 CCSCCNCC1OCCO1 2230a_100000106463_100000755774 [0,1,0,1,0,0|2,0,0]=4 25281 B12R1.37 CCSCCNCC1OCCO1 34a_100000036311_100000757381 [0,1,0,1,0,0|2,0,0]=4 25282 B12R1.37 CCSCCNC[C@@H]1CCCO1 2230a_100020590478_100000757381 [0,1,0,1,0,0|1,0,0]=3 25283 B12R1.37 CCSCCNC[C@@H]1CCCO1 34a_100020590478_100000757381 [0,1,0,1,0,0|1,0,0]=3 25284 B12R1.37 CCSCCOCC1CCCC1 34a_100000212035_100000740388 [0,1,0,1,0,0|2,0,0]=4 25285 B12R1.37 CCSCCOCC1CCCC1 34a_100000742336_100000757381 [0,1,0,1,0,0|2,0,0]=4 25286 B12R1.37 CCSCCOCC1CCCC1 7a_100000212035_100000740388 [0,1,0,1,0,0|2,0,0]=4 25287 B12R1.37 CCSCCOCC1CCCC1 7a_100000742336_100000757381 [0,1,0,1,0,0|2,0,0]=4 25288 B12R1.37 CCSCCOCC1CCCO1 34a_100000210270_100000757381 [0,1,0,1,0,0|1,0,0]=3 25289 B12R1.37 CCSCCOCC1CCCO1 7a_100000210270_100000757381 [0,1,0,1,0,0|1,0,0]=3 25290 B12R1.37 CCSCCOCC1CCCO1 7a_100000212035_100000203698 [0,1,0,1,0,0|1,0,0]=3 25291 B12R1.37 CCSCCOCC1CCOC1 34a_100000212035_100011261433 [0,1,0,1,0,0|2,0,0]=4 25292 B12R1.37 CCSCCOCC1CCOC1 34a_100000740260_100000757381 [0,1,0,1,0,0|2,0,0]=4 25293 B12R1.37 CCSCCOCC1CCOC1 7a_100000212035_100000702531 [0,1,0,1,0,0|2,0,0]=4 25294 B12R1.37 CCSCCOCC1COCO1 34a_100011216627_100000757381 [0,1,0,1,0,0|2,0,0]=4 25295 B12R1.37 CCSCCOCC1OCCO1 34a_100000087154_100000757381 [0,1,0,1,0,0|2,0,0]=4 25296 B12R1.37 CCSCCOCC1OCCO1 34a_100000212035_100000755774 [0,1,0,1,0,0|2,0,0]=4 25297 B12R1.37 CCSCCOCC1OCCO1 7a_100000212035_100000755774 [0,1,0,1,0,0|2,0,0]=4 25298 B12R1.37 CCSCCOC[C@H]1CCCN1 34a_100000745186_100000757381 [0,1,0,1,0,0|2,0,0]=4 25299 B12R1.37 CCSCCSCC1CCCC1 62a_100000740388_100000757381 [0,1,0,1,0,0|2,0,0]=4 25300 B12R1.37 CCSCCSCC1CCCC1 62a_100000757381_100000740388 [0,1,0,1,0,0|2,0,0]=4 25301 B12R1.37 CCSCCSCC1CCCO1 62a_100000203698_100000757381 [0,1,0,1,0,0|1,0,0]=3 25302 B12R1.37 CCSCCSCC1CCCO1 62a_100000757381_100000203698 [0,1,0,1,0,0|1,0,0]=3 25303 B12R1.37 CCSCCSCC1CCOC1 62a_100000702531_100000757381 [0,1,0,1,0,0|2,0,0]=4 25304 B12R1.37 CCSCCSCC1CCOC1 62a_100000757381_100000702531 [0,1,0,1,0,0|2,0,0]=4 25305 B12R1.37 CCSCCSCC1OCCO1 62a_100000755774_100000757381 [0,1,0,1,0,0|2,0,0]=4 25306 B12R1.37 CCSCCSCC1OCCO1 62a_100000757381_100000755774 [0,1,0,1,0,0|2,0,0]=4 25307 B12R1.37 CNCCCOCC1CCCC1 34a_100000213112_100000740388 [0,1,0,1,0,0|2,0,0]=4 25308 B12R1.37 CNCCCOCC1CCOC1 34a_100000213112_100011261433 [0,1,0,1,0,0|2,0,0]=4 25309 B12R1.37 CNCCCOCC1OCCO1 34a_100000213112_100000755774 [0,1,0,1,0,0|2,0,0]=4 25310 B12R1.37 COCCCCNC1CCCC1 2230a_100000211070_100000730899 [0,1,0,1,0,0|1,0,0]=3 25311 B12R1.37 COCCCCNC1CCCC1 34a_100000211070_100000755781 [0,1,0,1,0,0|1,0,0]=3 25312 B12R1.37 COCCCCN[C@@H]1CCOC1 2230a_200015188469_100000730899 [0,1,0,1,0,0|2,0,0]=4 25313 B12R1.37 COCCCCN[C@H]1CCOC1 2230a_100015188467_100000730899 [0,1,0,1,0,0|2,0,0]=4 25314 B12R1.37 COCCCCN[C@H]1CCOC1 34a_100015188467_100000755781 [0,1,0,1,0,0|2,0,0]=4 25315 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [0,1,0,1,0,0|1,0,0]=3 25316 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [0,1,0,1,0,0|1,0,0]=3 25317 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [0,1,0,1,0,0|1,0,0]=3 25318 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [0,1,0,1,0,0|1,0,0]=3 25319 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [0,1,0,1,0,0|1,0,0]=3 25320 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [0,1,0,1,0,0|1,0,0]=3 25321 B12R1.37 COCCCCOC1CCOC1 34a_100000740925_100000690089 [0,1,0,1,0,0|2,0,0]=4 25322 B12R1.37 COCCCCOC1CCSC1 7a_100011232664_100000730899 [0,1,0,1,0,0|2,0,0]=4 25323 B12R1.37 COCCCCO[C@H]1CCOC1 34a_100000717292_100000755781 [0,1,0,1,0,0|2,0,0]=4 25324 B12R1.37 COCCCCSC1CCCC1 62a_100000730899_100000179811 [0,1,0,1,0,0|1,0,0]=3 25325 B12R1.37 COCCCCSC1CCCC1 62a_100011217020_100000730899 [0,1,0,1,0,0|1,0,0]=3 25326 B12R1.37 COCCCCSC1CCOC1 62a_100000730899_100000690089 [0,1,0,1,0,0|2,0,0]=4 25327 B12R1.37 COCCCNCC1CCCC1 2230a_100000737975_100000740836 [0,1,0,1,0,0|1,0,0]=3 25328 B12R1.37 COCCCNCC1CCCC1 269862a_100150723488_100000746403 [0,1,0,1,0,0|1,0,0]=3 25329 B12R1.37 COCCCNCC1CCCC1 34a_100000737975_100000740836 [0,1,0,1,0,0|1,0,0]=3 25330 B12R1.37 COCCCNCC1CCCC1 34a_100150723488_100000740388 [0,1,0,1,0,0|1,0,0]=3 25331 B12R1.37 COCCCNCC1CCOC1 2230a_100000737293_100000740836 [0,1,0,1,0,0|2,0,0]=4 25332 B12R1.37 COCCCNCC1CCOC1 34a_100000737293_100000740836 [0,1,0,1,0,0|2,0,0]=4 25333 B12R1.37 COCCCNCC1CCOC1 34a_100150723488_100011261433 [0,1,0,1,0,0|2,0,0]=4 25334 B12R1.37 COCCCNCC1OCCO1 2230a_100000036311_100000740836 [0,1,0,1,0,0|2,0,0]=4 25335 B12R1.37 COCCCNCC1OCCO1 34a_100000036311_100000740836 [0,1,0,1,0,0|2,0,0]=4 25336 B12R1.37 COCCCNCC1OCCO1 34a_100150723488_100000755774 [0,1,0,1,0,0|2,0,0]=4 25337 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [0,1,0,1,0,0|1,0,0]=3 25338 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [0,1,0,1,0,0|1,0,0]=3 25339 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [0,1,0,1,0,0|1,0,0]=3 25340 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [0,1,0,1,0,0|1,0,0]=3 25341 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [0,1,0,1,0,0|1,0,0]=3 25342 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [0,1,0,1,0,0|1,0,0]=3 25343 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [0,1,0,1,0,0|1,0,0]=3 25344 B12R1.37 COCCCOCC1CCNC1 34a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 25345 B12R1.37 COCCCOCC1CCOC1 34a_100000740260_100000740836 [0,1,0,1,0,0|2,0,0]=4 25346 B12R1.37 COCCCOCC1CCOC1 34a_100000740835_100011261433 [0,1,0,1,0,0|2,0,0]=4 25347 B12R1.37 COCCCOCC1COCO1 34a_100011216627_100000740836 [0,1,0,1,0,0|2,0,0]=4 25348 B12R1.37 COCCCOCC1OCCO1 34a_100000087154_100000740836 [0,1,0,1,0,0|2,0,0]=4 25349 B12R1.37 COCCCOCC1OCCO1 34a_100000740835_100000755774 [0,1,0,1,0,0|2,0,0]=4 25350 B12R1.37 COCCCOC[C@H]1CCCN1 34a_100000745186_100000740836 [0,1,0,1,0,0|2,0,0]=4 25351 B12R1.37 COCCCSCC1CCCC1 62a_100000709357_100000740388 [0,1,0,1,0,0|1,0,0]=3 25352 B12R1.37 COCCCSCC1CCCC1 62a_100000740388_100000709357 [0,1,0,1,0,0|1,0,0]=3 25353 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [0,1,0,1,0,0|1,0,0]=3 25354 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [0,1,0,1,0,0|1,0,0]=3 25355 B12R1.37 COCCCSCC1CCOC1 62a_100000702531_100000709357 [0,1,0,1,0,0|2,0,0]=4 25356 B12R1.37 COCCCSCC1CCOC1 62a_100000709357_100000702531 [0,1,0,1,0,0|2,0,0]=4 25357 B12R1.37 COCCCSCC1OCCO1 62a_100000709357_100000755774 [0,1,0,1,0,0|2,0,0]=4 25358 B12R1.37 COCCCSCC1OCCO1 62a_100000755774_100000709357 [0,1,0,1,0,0|2,0,0]=4 25359 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [0,1,0,1,0,0|1,0,0]=3 25360 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [0,1,0,1,0,0|1,0,0]=3 25361 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [0,1,0,1,0,0|1,0,0]=3 25362 B12R1.37 COCCNCCC1OCCO1 2230a_100000034215_100011201679 [0,1,0,1,0,0|2,0,0]=4 25363 B12R1.37 COCCNCCC1OCCO1 2230a_100000209980_100000740749 [0,1,0,1,0,0|2,0,0]=4 25364 B12R1.37 COCCNCCC1OCCO1 34a_100000034215_100011201679 [0,1,0,1,0,0|2,0,0]=4 25365 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [0,1,0,1,0,0|1,0,0]=3 25366 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [0,1,0,1,0,0|1,0,0]=3 25367 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [0,1,0,1,0,0|1,0,0]=3 25368 B12R1.37 COCCOCCC1CCNC1 34a_100016987287_100011201679 [0,1,0,1,0,0|2,0,0]=4 25369 B12R1.37 COCCOCCC1CCOC1 34a_100011879284_100011201679 [0,1,0,1,0,0|2,0,0]=4 25370 B12R1.37 COCCOCCC1OCCO1 34a_100000210237_100000740749 [0,1,0,1,0,0|2,0,0]=4 25371 B12R1.37 COCCOCCN1CCCC1 2230a_100000188435_100000695917 [0,1,0,1,0,0|2,0,0]=4 25372 B12R1.37 COCCOCCN1CCCC1 269982a_100000188435_100000695917 [0,1,0,1,0,0|2,0,0]=4 25373 B12R1.37 COCCOCNC1CCCC1 2230a_100000211070_100000231047 [0,1,0,1,0,0|2,0,0]=4 25374 B12R1.37 COCCOCSC1CCCC1 62a_100000231047_100000179811 [0,1,0,1,0,0|2,0,0]=4 25375 B12R1.37 COCCOCSC1CCCC1 62a_100011217020_100000231047 [0,1,0,1,0,0|2,0,0]=4 25376 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [0,1,0,1,0,0|1,0,0]=3 25377 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [0,1,0,1,0,0|1,0,0]=3 25378 B12R1.37 COCCSCCC1OCCO1 62a_100000233755_100000740749 [0,1,0,1,0,0|2,0,0]=4 25379 B12R1.37 COCCSCCN1CCCC1 62a_100000233755_100000004467 [0,1,0,1,0,0|2,0,0]=4 25380 B12R1.37 COCCSCCN1CCCC1 62a_100000700749_100000233755 [0,1,0,1,0,0|2,0,0]=4 25381 B12R1.37 COCNCCCC1CCCC1 2230a_100000736752_100000766300 [0,1,0,1,0,0|1,0,0]=3 25382 B12R1.37 COCSCCCC1CCCC1 62a_100000766300_100011713738 [0,1,0,1,0,0|1,0,0]=3 25383 B12R1.37 COCSCCCC1CCCC1 62a_100011713738_100000766300 [0,1,0,1,0,0|1,0,0]=3 25384 B12R1.37 COCSCCCC1OCCO1 62a_100000766300_100000042513 [0,1,0,1,0,0|2,0,0]=4 25385 B12R1.37 COCSCCCN1CCCC1 62a_100000766300_100011445909 [0,1,0,1,0,0|2,0,0]=4 25386 B12R1.37 COCSCCCN1CCCC1 62a_100016991639_100000766300 [0,1,0,1,0,0|2,0,0]=4 25387 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [0,1,0,1,0,0|1,1,0]=4 25388 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [0,1,0,1,0,0|1,1,0]=4 25389 B12R1.37 CSCCCCOC1CCOC1 34a_100011217163_100000690089 [0,1,0,1,0,0|2,0,0]=4 25390 B12R1.37 CSCCCCOC1CCOC1 7a_100011217163_100000731011 [0,1,0,1,0,0|2,0,0]=4 25391 B12R1.37 CSCCCNCC1CCCC1 2230a_100000749238_100000740388 [0,1,0,1,0,0|1,1,0]=4 25392 B12R1.37 CSCCCNCC1CCCC1 269862a_100000749238_100000746403 [0,1,0,1,0,0|1,1,0]=4 25393 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [0,1,0,1,0,0|1,0,0]=3 25394 B12R1.37 CSCCCNCC1CCOC1 2230a_100000749238_100000702531 [0,1,0,1,0,0|2,0,0]=4 25395 B12R1.37 CSCCCNCC1OCCO1 2230a_100000749238_100000755774 [0,1,0,1,0,0|2,0,0]=4 25396 B12R1.37 CSCCCOCC1CCCC1 34a_100000690336_100000740388 [0,1,0,1,0,0|1,1,0]=4 25397 B12R1.37 CSCCCOCC1CCCC1 7a_100000690336_100000740388 [0,1,0,1,0,0|1,1,0]=4 25398 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [0,1,0,1,0,0|1,0,0]=3 25399 B12R1.37 CSCCCOCC1CCOC1 34a_100000690336_100011261433 [0,1,0,1,0,0|2,0,0]=4 25400 B12R1.37 CSCCCOCC1CCOC1 7a_100000690336_100000702531 [0,1,0,1,0,0|2,0,0]=4 25401 B12R1.37 CSCCCOCC1OCCO1 34a_100000690336_100000755774 [0,1,0,1,0,0|2,0,0]=4 25402 B12R1.37 CSCCCOCC1OCCO1 7a_100000690336_100000755774 [0,1,0,1,0,0|2,0,0]=4 25403 B12R1.37 CSCCNCCC1CCCC1 2230a_100000739158_100000751147 [0,1,0,1,0,0|1,1,0]=4 25404 B12R1.37 CSCCNCCC1CCCC1 2230a_100020590264_100000760354 [0,1,0,1,0,0|1,1,0]=4 25405 B12R1.37 CSCCNCCC1CCCC1 34a_100000739158_100000212216 [0,1,0,1,0,0|1,1,0]=4 25406 B12R1.37 CSCCNCCC1OCCO1 2230a_100000034215_100000751147 [0,1,0,1,0,0|2,0,0]=4 25407 B12R1.37 CSCCNCCC1OCCO1 2230a_100020590264_100000740749 [0,1,0,1,0,0|2,0,0]=4 25408 B12R1.37 CSCCNCCC1OCCO1 34a_100000034215_100000212216 [0,1,0,1,0,0|2,0,0]=4 25409 B12R1.37 CSCCOCCC1CCCC1 34a_100000230434_100000760354 [0,1,0,1,0,0|1,1,0]=4 25410 B12R1.37 CSCCOCCC1CCCC1 34a_100000749090_100000212216 [0,1,0,1,0,0|1,1,0]=4 25411 B12R1.37 CSCCOCCC1CCCC1 7a_100000230434_100000760354 [0,1,0,1,0,0|1,1,0]=4 25412 B12R1.37 CSCCOCCC1CCCC1 7a_100000749090_100000212216 [0,1,0,1,0,0|1,1,0]=4 25413 B12R1.37 CSCCOCCC1CCOC1 34a_100011879284_100000212216 [0,1,0,1,0,0|2,0,0]=4 25414 B12R1.37 CSCCOCCC1OCCO1 34a_100000230434_100000740749 [0,1,0,1,0,0|2,0,0]=4 25415 B12R1.37 CSCCOCCC1OCCO1 7a_100000230434_100000740749 [0,1,0,1,0,0|2,0,0]=4 25416 B12R1.37 CSCCSCCC1CCCC1 62a_100000212216_100000760354 [0,1,0,1,0,0|1,1,0]=4 25417 B12R1.37 CSCCSCCC1CCCC1 62a_100000760354_100000751147 [0,1,0,1,0,0|1,1,0]=4 25418 B12R1.37 CSCCSCCC1OCCO1 62a_100000212216_100000740749 [0,1,0,1,0,0|2,0,0]=4 25419 B12R1.37 CSCNCCCC1CCCC1 2230a_100000736752_100011218213 [0,1,0,1,0,0|1,1,0]=4 25420 B12R1.37 CSCNCCCC1CCCC1 34a_100000736752_100011218213 [0,1,0,1,0,0|1,1,0]=4 25421 B12R1.37 CSCOCCCC1CCCC1 34a_100011215328_100011218213 [0,1,0,1,0,0|1,1,0]=4 25422 B12R1.37 CSCOCCCC1OCCO1 34a_100009871617_100011218213 [0,1,0,1,0,0|2,0,0]=4 25423 B12R1.37 CSCSCCCC1CCCC1 62a_100011218213_100011713738 [0,1,0,1,0,0|1,1,0]=4 25424 B12R1.37 CSCSCCCC1CCCC1 62a_100011713738_100011218213 [0,1,0,1,0,0|1,1,0]=4 25425 B12R1.37 CSCSCCCC1OCCO1 62a_100011218213_100000042513 [0,1,0,1,0,0|2,0,0]=4 25426 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [0,1,0,1,0,0|1,0,0]=3 25427 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [0,1,0,1,0,0|1,0,0]=3 25428 B12R1.37 ClCCCCCOC1CCOC1 34a_100000746330_100000690089 [0,1,0,1,0,0|2,0,0]=4 25429 B12R1.37 ClCCCCCOC1CCOC1 7a_100000746330_100000731011 [0,1,0,1,0,0|2,0,0]=4 25430 B12R1.37 ClCCCCOCC1CCCC1 34a_100000210776_100000740388 [0,1,0,1,0,0|1,0,0]=3 25431 B12R1.37 ClCCCCOCC1CCCC1 7a_100000210776_100000740388 [0,1,0,1,0,0|1,0,0]=3 25432 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [0,1,0,1,0,0|1,0,0]=3 25433 B12R1.37 ClCCCCOCC1CCOC1 34a_100000210776_100011261433 [0,1,0,1,0,0|2,0,0]=4 25434 B12R1.37 ClCCCCOCC1CCOC1 7a_100000210776_100000702531 [0,1,0,1,0,0|2,0,0]=4 25435 B12R1.37 ClCCCCOCC1OCCO1 34a_100000210776_100000755774 [0,1,0,1,0,0|2,0,0]=4 25436 B12R1.37 ClCCCCOCC1OCCO1 7a_100000210776_100000755774 [0,1,0,1,0,0|2,0,0]=4 25437 B12R1.37 ClCCCOCCC1CCCC1 34a_100000230001_100000760354 [0,1,0,1,0,0|1,0,0]=3 25438 B12R1.37 ClCCCOCCC1OCCO1 34a_100000230001_100000740749 [0,1,0,1,0,0|2,0,0]=4 25439 B12R1.37 ClCCOCCOC1CCCC1 34a_100011215305_100000179811 [0,1,0,1,0,0|2,0,0]=4 25440 B12R1.37 ClCCOCCOC1CCCC1 7a_100011215305_100000179811 [0,1,0,1,0,0|2,0,0]=4 25441 B12R1.37 FCCCCCCN1CCCC1 2230a_100000188435_100015922095 [0,1,0,1,0,0|1,0,0]=3 25442 B12R1.37 FCCCCCCN1CCCC1 269982a_100000188435_100015922095 [0,1,0,1,0,0|1,0,0]=3 25443 B12R1.37 FCCCCCCN1CCSC1 2230a_100011215254_100015922095 [0,1,0,1,0,0|2,0,0]=4 25444 B12R1.37 FCCCCCCN1CCSC1 269982a_100011215254_100015922095 [0,1,0,1,0,0|2,0,0]=4 25445 B12R1.37 FCCCCCNC1CCCC1 2230a_100000211070_100000729378 [0,1,0,1,0,0|1,0,0]=3 25446 B12R1.37 FCCCCCNC1CCCC1 34a_100000211070_100000729378 [0,1,0,1,0,0|1,0,0]=3 25447 B12R1.37 FCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729378 [0,1,0,1,0,0|2,0,0]=4 25448 B12R1.37 FCCCCCN[C@H]1CCOC1 2230a_100015188467_100000729378 [0,1,0,1,0,0|2,0,0]=4 25449 B12R1.37 FCCCCCN[C@H]1CCOC1 34a_100015188467_100000729378 [0,1,0,1,0,0|2,0,0]=4 25450 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [0,1,0,1,0,0|1,0,0]=3 25451 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [0,1,0,1,0,0|1,0,0]=3 25452 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [0,1,0,1,0,0|1,0,0]=3 25453 B12R1.37 FCCCCCOC1CCSC1 7a_100011232664_100000729378 [0,1,0,1,0,0|2,0,0]=4 25454 B12R1.37 FCCCCCO[C@H]1CCOC1 34a_100000717292_100000729378 [0,1,0,1,0,0|2,0,0]=4 25455 B12R1.37 FCCCCCSC1CCCC1 62a_100000729378_100000179811 [0,1,0,1,0,0|1,0,0]=3 25456 B12R1.37 FCCCCCSC1CCCC1 62a_100011217020_100000729378 [0,1,0,1,0,0|1,0,0]=3 25457 B12R1.37 FCCCCCSC1CCOC1 62a_100000729378_100000690089 [0,1,0,1,0,0|2,0,0]=4 25458 B12R1.37 FCCCCNCC1CCCC1 2230a_100000737975_100000729493 [0,1,0,1,0,0|1,0,0]=3 25459 B12R1.37 FCCCCNCC1CCCC1 34a_100000737975_100000729493 [0,1,0,1,0,0|1,0,0]=3 25460 B12R1.37 FCCCCNCC1CCOC1 2230a_100000737293_100000729493 [0,1,0,1,0,0|2,0,0]=4 25461 B12R1.37 FCCCCNCC1CCOC1 34a_100000737293_100000729493 [0,1,0,1,0,0|2,0,0]=4 25462 B12R1.37 FCCCCNCC1OCCO1 2230a_100000036311_100000729493 [0,1,0,1,0,0|2,0,0]=4 25463 B12R1.37 FCCCCNCC1OCCO1 34a_100000036311_100000729493 [0,1,0,1,0,0|2,0,0]=4 25464 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [0,1,0,1,0,0|1,0,0]=3 25465 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [0,1,0,1,0,0|1,0,0]=3 25466 B12R1.37 FCCCCOCC1CCCC1 34a_100000742336_100000729493 [0,1,0,1,0,0|1,0,0]=3 25467 B12R1.37 FCCCCOCC1CCCC1 34a_100011995726_100000740388 [0,1,0,1,0,0|1,0,0]=3 25468 B12R1.37 FCCCCOCC1CCCC1 7a_100000742336_100000729493 [0,1,0,1,0,0|1,0,0]=3 25469 B12R1.37 FCCCCOCC1CCCC1 7a_100011995726_100000740388 [0,1,0,1,0,0|1,0,0]=3 25470 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [0,1,0,1,0,0|1,0,0]=3 25471 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [0,1,0,1,0,0|1,0,0]=3 25472 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [0,1,0,1,0,0|1,0,0]=3 25473 B12R1.37 FCCCCOCC1CCNC1 34a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 25474 B12R1.37 FCCCCOCC1CCOC1 34a_100000740260_100000729493 [0,1,0,1,0,0|2,0,0]=4 25475 B12R1.37 FCCCCOCC1CCOC1 34a_100011995726_100011261433 [0,1,0,1,0,0|2,0,0]=4 25476 B12R1.37 FCCCCOCC1CCOC1 7a_100011995726_100000702531 [0,1,0,1,0,0|2,0,0]=4 25477 B12R1.37 FCCCCOCC1COCO1 34a_100011216627_100000729493 [0,1,0,1,0,0|2,0,0]=4 25478 B12R1.37 FCCCCOCC1OCCO1 34a_100000087154_100000729493 [0,1,0,1,0,0|2,0,0]=4 25479 B12R1.37 FCCCCOCC1OCCO1 34a_100011995726_100000755774 [0,1,0,1,0,0|2,0,0]=4 25480 B12R1.37 FCCCCOCC1OCCO1 7a_100011995726_100000755774 [0,1,0,1,0,0|2,0,0]=4 25481 B12R1.37 FCCCCOC[C@H]1CCCN1 34a_100000745186_100000729493 [0,1,0,1,0,0|2,0,0]=4 25482 B12R1.37 FCCCCSCC1CCCC1 62a_100000729493_100000740388 [0,1,0,1,0,0|1,0,0]=3 25483 B12R1.37 FCCCCSCC1CCCC1 62a_100000740388_100000729493 [0,1,0,1,0,0|1,0,0]=3 25484 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [0,1,0,1,0,0|1,0,0]=3 25485 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [0,1,0,1,0,0|1,0,0]=3 25486 B12R1.37 FCCCCSCC1CCOC1 62a_100000702531_100000729493 [0,1,0,1,0,0|2,0,0]=4 25487 B12R1.37 FCCCCSCC1CCOC1 62a_100000729493_100000702531 [0,1,0,1,0,0|2,0,0]=4 25488 B12R1.37 FCCCCSCC1OCCO1 62a_100000729493_100000755774 [0,1,0,1,0,0|2,0,0]=4 25489 B12R1.37 FCCCCSCC1OCCO1 62a_100000755774_100000729493 [0,1,0,1,0,0|2,0,0]=4 25490 B12R1.37 FCCCNCCC1CCCC1 2230a_100000739158_100011934791 [0,1,0,1,0,0|1,0,0]=3 25491 B12R1.37 FCCCNCCC1CCCC1 2230a_100015189416_100000760354 [0,1,0,1,0,0|1,0,0]=3 25492 B12R1.37 FCCCNCCC1CCCC1 34a_100000739158_100011934791 [0,1,0,1,0,0|1,0,0]=3 25493 B12R1.37 FCCCNCCC1CCCC1 34a_100015189416_100000760354 [0,1,0,1,0,0|1,0,0]=3 25494 B12R1.37 FCCCNCCC1OCCO1 2230a_100000034215_100011934791 [0,1,0,1,0,0|2,0,0]=4 25495 B12R1.37 FCCCNCCC1OCCO1 2230a_100015189416_100000740749 [0,1,0,1,0,0|2,0,0]=4 25496 B12R1.37 FCCCNCCC1OCCO1 34a_100000034215_100011934791 [0,1,0,1,0,0|2,0,0]=4 25497 B12R1.37 FCCCNCCC1OCCO1 34a_100015189416_100000740749 [0,1,0,1,0,0|2,0,0]=4 25498 B12R1.37 FCCCOCCC1CCCC1 34a_100000749090_100011934791 [0,1,0,1,0,0|1,0,0]=3 25499 B12R1.37 FCCCOCCC1CCCC1 34a_100000759539_100000760354 [0,1,0,1,0,0|1,0,0]=3 25500 B12R1.37 FCCCOCCC1CCCC1 7a_100000749090_100011934791 [0,1,0,1,0,0|1,0,0]=3 25501 B12R1.37 FCCCOCCC1CCNC1 34a_100016987287_100011934791 [0,1,0,1,0,0|2,0,0]=4 25502 B12R1.37 FCCCOCCC1CCOC1 34a_100011879284_100011934791 [0,1,0,1,0,0|2,0,0]=4 25503 B12R1.37 FCCCOCCC1OCCO1 34a_100000759539_100000740749 [0,1,0,1,0,0|2,0,0]=4 25504 B12R1.37 FCCCSCCC1CCCC1 62a_100000760354_100011934791 [0,1,0,1,0,0|1,0,0]=3 25505 B12R1.37 FCCCSCCC1CCCC1 62a_100011934791_100000760354 [0,1,0,1,0,0|1,0,0]=3 25506 B12R1.37 FCCCSCCC1OCCO1 62a_100011934791_100000740749 [0,1,0,1,0,0|2,0,0]=4 25507 B12R1.37 FCCCSCCN1CCCC1 62a_100000700749_100011934791 [0,1,0,1,0,0|2,0,0]=4 25508 B12R1.37 FCCCSCCN1CCCC1 62a_100011934791_100000004467 [0,1,0,1,0,0|2,0,0]=4 25509 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [0,1,0,1,0,0|1,0,0]=3 25510 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [0,1,0,1,0,0|1,0,0]=3 25511 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [0,1,0,1,0,0|1,0,0]=3 25512 B12R1.37 FCCNCCCC1OCCO1 34a_100000724931_100009861162 [0,1,0,1,0,0|2,0,0]=4 25513 B12R1.37 FCCNCCCN1CCCC1 34a_100000724931_100016991639 [0,1,0,1,0,0|2,0,0]=4 25514 B12R1.37 FCCNCCOC1CCCC1 34a_100000741755_100011217306 [0,1,0,1,0,0|2,0,0]=4 25515 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [0,1,0,1,0,0|1,0,0]=3 25516 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [0,1,0,1,0,0|1,0,0]=3 25517 B12R1.37 FCCOCCCC1OCCO1 34a_100009871617_100011217306 [0,1,0,1,0,0|2,0,0]=4 25518 B12R1.37 FCCOCCCC1OCCO1 7a_100009871617_100011217306 [0,1,0,1,0,0|2,0,0]=4 25519 B12R1.37 FCCOCCNC1CCCC1 34a_200000200444_100011217306 [0,1,0,1,0,0|2,0,0]=4 25520 B12R1.37 FCCOCCOC1CCCC1 34a_100000738311_100011217306 [0,1,0,1,0,0|2,0,0]=4 25521 B12R1.37 FCCOCCOC1CCCC1 34a_200015357709_100000179811 [0,1,0,1,0,0|2,0,0]=4 25522 B12R1.37 FCCOCCOC1CCCC1 7a_100000738311_100011217306 [0,1,0,1,0,0|2,0,0]=4 25523 B12R1.37 FCCOCCOC1CCCC1 7a_200015357709_100000179811 [0,1,0,1,0,0|2,0,0]=4 25524 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [0,1,0,1,0,0|1,0,0]=3 25525 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [0,1,0,1,0,0|1,0,0]=3 25526 B12R1.37 FCCSCCCC1OCCO1 62a_100011217306_100000042513 [0,1,0,1,0,0|2,0,0]=4 25527 B12R1.37 FCCSCCCN1CCCC1 62a_100011217306_100011445909 [0,1,0,1,0,0|2,0,0]=4 25528 B12R1.37 FCCSCCCN1CCCC1 62a_100016991639_100011217306 [0,1,0,1,0,0|2,0,0]=4 25529 B12R1.37 FCNCCCOC1CCCC1 34a_100000747560_100015361967 [0,1,0,1,0,0|2,0,0]=4 25530 B12R1.37 FCSCCCCC1OCCO1 62a_100015361967_100000034956 [0,1,0,1,0,0|2,0,0]=4 25531 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [0,1,0,1,0,0|1,0,0]=3 25532 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [0,1,0,1,0,0|1,0,0]=3 25533 B12R1.37 ICCCCCOC1CCOC1 34a_200012148887_100000690089 [0,1,0,1,0,0|2,0,0]=4 25534 B12R1.37 ICCCCCOC1CCOC1 7a_200012148887_100000731011 [0,1,0,1,0,0|2,0,0]=4 25535 B12R1.37 ICCCCOCC1CCCC1 34a_200012148704_100000740388 [0,1,0,1,0,0|1,0,0]=3 25536 B12R1.37 ICCCCOCC1CCOC1 34a_200012148704_100011261433 [0,1,0,1,0,0|2,0,0]=4 25537 B12R1.37 ICCCCOCC1OCCO1 34a_200012148704_100000755774 [0,1,0,1,0,0|2,0,0]=4 25538 B12R1.37 ICCOCCOC1CCCC1 34a_100012149058_100000179811 [0,1,0,1,0,0|2,0,0]=4 25539 B12R1.37 ICCOCCOC1CCCC1 7a_100012149058_100000179811 [0,1,0,1,0,0|2,0,0]=4 25540 B12R1.37 N#CCCCCCN1CCCC1 2230a_100000188435_100009813376 [0,1,0,1,0,0|1,0,1]=4 25541 B12R1.37 N#CCCCCCN1CCCC1 269982a_100000188435_100009813376 [0,1,0,1,0,0|1,0,1]=4 25542 B12R1.37 N#CCCCCNC1CCCC1 2230a_100000211070_100000211819 [0,1,0,1,0,0|1,0,1]=4 25543 B12R1.37 N#CCCCCNC1CCCC1 270004a_100000751965_100000210133 [0,1,0,1,0,0|1,0,1]=4 25544 B12R1.37 N#CCCCCOC1CCCC1 7a_100000210269_100000211819 [0,1,0,1,0,0|1,0,1]=4 25545 B12R1.37 N#CCCCCSC1CCCC1 62a_100011217020_100000211819 [0,1,0,1,0,0|1,0,1]=4 25546 B12R1.37 N#CCCCCSC1CCCC1 62a_100011219923_100000179811 [0,1,0,1,0,0|1,0,1]=4 25547 B12R1.37 N#CCCCNCC1CCCC1 2230a_100000737975_100000687738 [0,1,0,1,0,0|1,0,1]=4 25548 B12R1.37 N#CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000687738 [0,1,0,1,0,0|1,0,1]=4 25549 B12R1.37 N#CCCCOCC1CCCC1 7a_100000742336_100000687738 [0,1,0,1,0,0|1,0,1]=4 25550 B12R1.37 N#CCCCOCC1CCCO1 7a_100000210270_100000687738 [0,1,0,1,0,0|1,0,1]=4 25551 B12R1.37 N#CCCCSCC1CCCC1 62a_100000687738_100000740388 [0,1,0,1,0,0|1,0,1]=4 25552 B12R1.37 N#CCCCSCC1CCCC1 62a_100000740388_100000687738 [0,1,0,1,0,0|1,0,1]=4 25553 B12R1.37 N#CCCCSCC1CCCO1 62a_100000203698_100000687738 [0,1,0,1,0,0|1,0,1]=4 25554 B12R1.37 N#CCCCSCC1CCCO1 62a_100000687738_100000203698 [0,1,0,1,0,0|1,0,1]=4 25555 B12R1.37 N#CCCNCCC1CCCC1 2230a_100000739158_100011215226 [0,1,0,1,0,0|1,0,1]=4 25556 B12R1.37 N#CCCOCCC1CCCC1 7a_100000749090_100000184422 [0,1,0,1,0,0|1,0,1]=4 25557 B12R1.37 N#CCCSCCC1CCCC1 62a_100000760354_100011215226 [0,1,0,1,0,0|1,0,1]=4 25558 B12R1.37 N#CCCSCCC1CCCC1 62a_100011215226_100000760354 [0,1,0,1,0,0|1,0,1]=4 25559 B12R1.37 N#CCNCCCC1CCCC1 2230a_100000736752_100011215382 [0,1,0,1,0,0|1,0,1]=4 25560 B12R1.37 N#CCOCCCC1CCCC1 7a_100011215328_100011215382 [0,1,0,1,0,0|1,0,1]=4 25561 B12R1.37 N#CCSCCCC1CCCC1 62a_100011215382_100011713738 [0,1,0,1,0,0|1,0,1]=4 25562 B12R1.37 N#CCSCCCC1CCCC1 62a_100011713738_100011215382 [0,1,0,1,0,0|1,0,1]=4 25563 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [0,1,0,1,0,0|1,0,0]=3 25564 B12R1.37 NCCCCCOC1CCOC1 34a_100000762737_100000690089 [0,1,0,1,0,0|2,0,0]=4 25565 B12R1.37 NCCCCOCC1CCCC1 34a_100000750430_100000740388 [0,1,0,1,0,0|1,0,0]=3 25566 B12R1.37 NCCCCOCC1CCOC1 34a_100000750430_100011261433 [0,1,0,1,0,0|2,0,0]=4 25567 B12R1.37 NCCCCOCC1OCCO1 34a_100000750430_100000755774 [0,1,0,1,0,0|2,0,0]=4 25568 B12R1.37 NCCCOCCC1CCCC1 34a_100000182051_100000760354 [0,1,0,1,0,0|1,0,0]=3 25569 B12R1.37 NCCCOCCC1OCCO1 34a_100000182051_100000740749 [0,1,0,1,0,0|2,0,0]=4 25570 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [0,1,0,1,0,0|1,0,0]=3 25571 B12R1.37 NCCOCCCC1OCCO1 34a_100000210304_100009861162 [0,1,0,1,0,0|2,0,0]=4 25572 B12R1.37 NCCOCCCN1CCCC1 34a_100000210304_100016991639 [0,1,0,1,0,0|2,0,0]=4 25573 B12R1.37 NCCOCCOC1CCCC1 34a_100000211614_100000179811 [0,1,0,1,0,0|2,0,0]=4 25574 B12R1.37 NOCCOCCC1CCCC1 34a_100000700252_100000760354 [0,1,0,1,0,0|1,0,0]=3 25575 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,1,0,1,0,0|0,0,2]=4 25576 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,1,0,1,0,0|0,0,2]=4 25577 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,1,0,1,0,0|0,0,2]=4 25578 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,1,0,1,0,0|0,0,2]=4 25579 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,1,0,1,0,0|0,0,2]=4 25580 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,1,0,1,0,0|0,0,2]=4 25581 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [0,1,0,1,0,0|0,0,2]=4 25582 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [0,1,0,1,0,0|1,0,1]=4 25583 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,1,0,1,0,0|0,0,2]=4 25584 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,1,0,1,0,0|1,0,1]=4 25585 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [0,1,0,1,0,0|0,0,2]=4 25586 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [0,1,0,1,0,0|0,0,2]=4 25587 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [0,1,0,1,0,0|1,0,1]=4 25588 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [0,1,0,1,0,0|1,0,1]=4 25589 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [0,1,0,1,0,0|0,0,2]=4 25590 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [0,1,0,1,0,0|0,0,2]=4 25591 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [0,1,0,1,0,0|0,0,2]=4 25592 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [0,1,0,1,0,0|0,0,2]=4 25593 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [0,1,0,1,0,0|0,0,2]=4 25594 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [0,1,0,1,0,0|0,0,2]=4 25595 B12R1.37 OCC#CCNCC1CCCC1 2230a_100000737975_200000047223 [0,1,0,1,0,0|0,0,2]=4 25596 B12R1.37 OCC#CCNCC1CCCC1 34a_100000737975_200000047223 [0,1,0,1,0,0|0,0,2]=4 25597 B12R1.37 OCC#CCOCC1CCCC1 34a_100000742336_200000047223 [0,1,0,1,0,0|0,0,2]=4 25598 B12R1.37 OCC#CCOCC1CCCC1 7a_100000742336_200000047223 [0,1,0,1,0,0|0,0,2]=4 25599 B12R1.37 OCC#CCSCC1CCCC1 62a_100000740388_200000047223 [0,1,0,1,0,0|0,0,2]=4 25600 B12R1.37 OCC#CCSCC1CCCC1 62a_200000047223_100000740388 [0,1,0,1,0,0|0,0,2]=4 25601 B12R1.37 OCCCCCCN1CC=CC1 269982a_100015195280_100000766143 [0,1,0,1,0,0|0,0,2]=4 25602 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,1,0,1,0,0|0,0,0]=2 25603 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,1,0,1,0,0|0,0,0]=2 25604 B12R1.37 OCCCCCCN1CCSC1 2230a_100011215254_100000766143 [0,1,0,1,0,0|1,0,0]=3 25605 B12R1.37 OCCCCCCN1CCSC1 269982a_100011215254_100000766143 [0,1,0,1,0,0|1,0,0]=3 25606 B12R1.37 OCCCCCNC1CC=CC1 2230a_100015188752_100000746330 [0,1,0,1,0,0|0,0,2]=4 25607 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,1,0,1,0,0|0,0,0]=2 25608 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,1,0,1,0,0|0,0,0]=2 25609 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,1,0,1,0,0|0,0,0]=2 25610 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,1,0,1,0,0|0,0,0]=2 25611 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,1,0,1,0,0|0,0,0]=2 25612 B12R1.37 OCCCCCNC1CCOC1 2230a_100000762737_100000731011 [0,1,0,1,0,0|1,0,0]=3 25613 B12R1.37 OCCCCCNC1CCOC1 270004a_100000762737_100000752484 [0,1,0,1,0,0|1,0,0]=3 25614 B12R1.37 OCCCCCNC1CCOC1 34a_100000762737_100000690089 [0,1,0,1,0,0|1,0,0]=3 25615 B12R1.37 OCCCCCNC1CCSC1 270004a_100000762737_100000212027 [0,1,0,1,0,0|1,0,0]=3 25616 B12R1.37 OCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000746330 [0,1,0,1,0,0|1,0,0]=3 25617 B12R1.37 OCCCCCN[C@H]1CCOC1 2230a_100015188467_100000746330 [0,1,0,1,0,0|1,0,0]=3 25618 B12R1.37 OCCCCCN[C@H]1CCOC1 34a_100015188467_100000746330 [0,1,0,1,0,0|1,0,0]=3 25619 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,1,0,1,0,0|0,0,0]=2 25620 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,1,0,1,0,0|0,0,0]=2 25621 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [0,1,0,1,0,0|1,0,0]=3 25622 B12R1.37 OCCCCCOC1CCSC1 7a_100011232664_100000746330 [0,1,0,1,0,0|1,0,0]=3 25623 B12R1.37 OCCCCCO[C@H]1CCOC1 34a_100000717292_100000746330 [0,1,0,1,0,0|1,0,0]=3 25624 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,1,0,1,0,0|0,0,0]=2 25625 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,1,0,1,0,0|0,0,0]=2 25626 B12R1.37 OCCCCCSC1CCOC1 62a_100000746330_100000690089 [0,1,0,1,0,0|1,0,0]=3 25627 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,1,0,1,0,0|0,0,0]=2 25628 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,1,0,1,0,0|0,0,0]=2 25629 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,1,0,1,0,0|0,0,0]=2 25630 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,1,0,1,0,0|0,0,0]=2 25631 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,1,0,1,0,0|0,0,0]=2 25632 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [0,1,0,1,0,0|1,0,0]=3 25633 B12R1.37 OCCCCNCC1CCOC1 2230a_100000737293_100000210776 [0,1,0,1,0,0|1,0,0]=3 25634 B12R1.37 OCCCCNCC1CCOC1 2230a_100000750430_100000702531 [0,1,0,1,0,0|1,0,0]=3 25635 B12R1.37 OCCCCNCC1CCOC1 34a_100000737293_100011216708 [0,1,0,1,0,0|1,0,0]=3 25636 B12R1.37 OCCCCNCC1CCOC1 34a_100000750430_100011261433 [0,1,0,1,0,0|1,0,0]=3 25637 B12R1.37 OCCCCNCC1OCCO1 2230a_100000036311_100000210776 [0,1,0,1,0,0|2,0,0]=4 25638 B12R1.37 OCCCCNCC1OCCO1 2230a_100000750430_100000755774 [0,1,0,1,0,0|2,0,0]=4 25639 B12R1.37 OCCCCNCC1OCCO1 34a_100000036311_100011216708 [0,1,0,1,0,0|2,0,0]=4 25640 B12R1.37 OCCCCNCC1OCCO1 34a_100000750430_100000755774 [0,1,0,1,0,0|2,0,0]=4 25641 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [0,1,0,1,0,0|1,0,0]=3 25642 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [0,1,0,1,0,0|1,0,0]=3 25643 B12R1.37 OCCCCOCC1CC=CC1 34a_100000688395_100011216708 [0,1,0,1,0,0|0,0,2]=4 25644 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,1,0,1,0,0|0,0,0]=2 25645 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,1,0,1,0,0|0,0,0]=2 25646 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [0,1,0,1,0,0|1,0,0]=3 25647 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [0,1,0,1,0,0|1,0,0]=3 25648 B12R1.37 OCCCCOCC1CCNC1 34a_100000748654_100011216708 [0,1,0,1,0,0|1,0,0]=3 25649 B12R1.37 OCCCCOCC1CCOC1 34a_100000740260_100011216708 [0,1,0,1,0,0|1,0,0]=3 25650 B12R1.37 OCCCCOCC1COCO1 34a_100011216627_100011216708 [0,1,0,1,0,0|2,0,0]=4 25651 B12R1.37 OCCCCOCC1OCCO1 34a_100000087154_100011216708 [0,1,0,1,0,0|2,0,0]=4 25652 B12R1.37 OCCCCOC[C@H]1CCCN1 34a_100000745186_100011216708 [0,1,0,1,0,0|1,0,0]=3 25653 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,1,0,1,0,0|0,0,0]=2 25654 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,1,0,1,0,0|0,0,0]=2 25655 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [0,1,0,1,0,0|1,0,0]=3 25656 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [0,1,0,1,0,0|1,0,0]=3 25657 B12R1.37 OCCCCSCC1CCOC1 62a_100000210776_100000702531 [0,1,0,1,0,0|1,0,0]=3 25658 B12R1.37 OCCCCSCC1CCOC1 62a_100000702531_100000210776 [0,1,0,1,0,0|1,0,0]=3 25659 B12R1.37 OCCCCSCC1OCCO1 62a_100000210776_100000755774 [0,1,0,1,0,0|2,0,0]=4 25660 B12R1.37 OCCCCSCC1OCCO1 62a_100000755774_100000210776 [0,1,0,1,0,0|2,0,0]=4 25661 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,1,0,1,0,0|0,0,0]=2 25662 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,1,0,1,0,0|0,0,0]=2 25663 B12R1.37 OCCCNCCC1OCCO1 2230a_100000034215_100000230001 [0,1,0,1,0,0|2,0,0]=4 25664 B12R1.37 OCCCNCCC1OCCO1 34a_100000034215_100000230001 [0,1,0,1,0,0|2,0,0]=4 25665 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,1,0,1,0,0|0,0,0]=2 25666 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,1,0,1,0,0|0,0,0]=2 25667 B12R1.37 OCCCOCCC1CCNC1 34a_100016987287_100000230001 [0,1,0,1,0,0|1,0,0]=3 25668 B12R1.37 OCCCOCCC1CCOC1 34a_100011879284_100000230001 [0,1,0,1,0,0|1,0,0]=3 25669 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,1,0,1,0,0|0,0,0]=2 25670 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,1,0,1,0,0|0,0,0]=2 25671 B12R1.37 OCCCSCCC1OCCO1 62a_100011215043_100000740749 [0,1,0,1,0,0|2,0,0]=4 25672 B12R1.37 OCCCSCCN1CCCC1 62a_100000700749_100011215043 [0,1,0,1,0,0|1,0,0]=3 25673 B12R1.37 OCCCSCCN1CCCC1 62a_100011215043_100000004467 [0,1,0,1,0,0|1,0,0]=3 25674 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,1,0,1,0,0|0,0,0]=2 25675 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,1,0,1,0,0|0,0,0]=2 25676 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,1,0,1,0,0|0,0,0]=2 25677 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,1,0,1,0,0|0,0,0]=2 25678 B12R1.37 OCCNCCCC1OCCO1 2230a_100016997473_100000042513 [0,1,0,1,0,0|2,0,0]=4 25679 B12R1.37 OCCNCCCC1OCCO1 34a_100016990907_100009861162 [0,1,0,1,0,0|2,0,0]=4 25680 B12R1.37 OCCNCCCN1CCCC1 2230a_100016997473_100011445909 [0,1,0,1,0,0|1,0,0]=3 25681 B12R1.37 OCCNCCCN1CCCC1 34a_100016990907_100016991639 [0,1,0,1,0,0|1,0,0]=3 25682 B12R1.37 OCCNCCOC1CCCC1 34a_100000741755_100000211926 [0,1,0,1,0,0|1,0,0]=3 25683 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,1,0,1,0,0|0,0,0]=2 25684 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,1,0,1,0,0|0,0,0]=2 25685 B12R1.37 OCCOCCCC1OCCO1 34a_100009871617_100000211926 [0,1,0,1,0,0|2,0,0]=4 25686 B12R1.37 OCCOCCCC1OCCO1 7a_100009871617_100000211926 [0,1,0,1,0,0|2,0,0]=4 25687 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211070_100011215305 [0,1,0,1,0,0|1,0,0]=3 25688 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211614_100000179811 [0,1,0,1,0,0|1,0,0]=3 25689 B12R1.37 OCCOCCNC1CCCC1 270004a_100000211614_100000210133 [0,1,0,1,0,0|1,0,0]=3 25690 B12R1.37 OCCOCCNC1CCCC1 34a_100000211070_100000692535 [0,1,0,1,0,0|1,0,0]=3 25691 B12R1.37 OCCOCCNC1CCCC1 34a_100000211614_100000179811 [0,1,0,1,0,0|1,0,0]=3 25692 B12R1.37 OCCOCCNC1CCCC1 34a_200000200444_100000211926 [0,1,0,1,0,0|1,0,0]=3 25693 B12R1.37 OCCOCCNC1CCOC1 2230a_100000211614_100000731011 [0,1,0,1,0,0|2,0,0]=4 25694 B12R1.37 OCCOCCNC1CCOC1 270004a_100000211614_100000752484 [0,1,0,1,0,0|2,0,0]=4 25695 B12R1.37 OCCOCCNC1CCOC1 34a_100000211614_100000690089 [0,1,0,1,0,0|2,0,0]=4 25696 B12R1.37 OCCOCCNC1CCSC1 270004a_100000211614_100000212027 [0,1,0,1,0,0|2,0,0]=4 25697 B12R1.37 OCCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215305 [0,1,0,1,0,0|2,0,0]=4 25698 B12R1.37 OCCOCCN[C@H]1CCOC1 2230a_100015188467_100011215305 [0,1,0,1,0,0|2,0,0]=4 25699 B12R1.37 OCCOCCN[C@H]1CCOC1 34a_100015188467_100000692535 [0,1,0,1,0,0|2,0,0]=4 25700 B12R1.37 OCCOCCOC1CCCC1 34a_100000210269_100000692535 [0,1,0,1,0,0|1,0,0]=3 25701 B12R1.37 OCCOCCOC1CCCC1 34a_100000738311_100000211926 [0,1,0,1,0,0|1,0,0]=3 25702 B12R1.37 OCCOCCOC1CCCC1 7a_100000210269_100011215305 [0,1,0,1,0,0|1,0,0]=3 25703 B12R1.37 OCCOCCOC1CCCC1 7a_100000738311_100000211926 [0,1,0,1,0,0|1,0,0]=3 25704 B12R1.37 OCCOCCOC1CCCO1 34a_100000085407_100000692535 [0,1,0,1,0,0|2,0,0]=4 25705 B12R1.37 OCCOCCOC1CCSC1 7a_100011232664_100011215305 [0,1,0,1,0,0|2,0,0]=4 25706 B12R1.37 OCCOCCO[C@H]1CCOC1 34a_100000717292_100000692535 [0,1,0,1,0,0|2,0,0]=4 25707 B12R1.37 OCCOCCSC1CCCC1 62a_100011215305_100000179811 [0,1,0,1,0,0|1,0,0]=3 25708 B12R1.37 OCCOCCSC1CCCC1 62a_100011217020_100011215305 [0,1,0,1,0,0|1,0,0]=3 25709 B12R1.37 OCCOCCSC1CCOC1 62a_100011215305_100000690089 [0,1,0,1,0,0|2,0,0]=4 25710 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,1,0,1,0,0|0,0,0]=2 25711 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,1,0,1,0,0|0,0,0]=2 25712 B12R1.37 OCCSCCCC1OCCO1 62a_100000211926_100000042513 [0,1,0,1,0,0|2,0,0]=4 25713 B12R1.37 OCCSCCCN1CCCC1 62a_100000211926_100011445909 [0,1,0,1,0,0|1,0,0]=3 25714 B12R1.37 OCCSCCCN1CCCC1 62a_100016991639_100000211926 [0,1,0,1,0,0|1,0,0]=3 25715 B12R1.37 OCCSCCNC1CCCC1 2230a_100011219999_100000179811 [0,1,0,1,0,0|1,0,0]=3 25716 B12R1.37 OCCSCCNC1CCCC1 270004a_100011219999_100000210133 [0,1,0,1,0,0|1,0,0]=3 25717 B12R1.37 OCCSCCNC1CCOC1 2230a_100011219999_100000731011 [0,1,0,1,0,0|2,0,0]=4 25718 B12R1.37 OCCSCCNC1CCOC1 270004a_100011219999_100000752484 [0,1,0,1,0,0|2,0,0]=4 25719 B12R1.37 OCCSCCNC1CCSC1 270004a_100011219999_100000212027 [0,1,0,1,0,0|2,0,0]=4 25720 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [0,1,0,1,0,0|1,0,0]=3 25721 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [0,1,0,1,0,0|1,0,0]=3 25722 B12R1.45 C#CCCCN1CCCC1CC 2230a_100000754278_100000731252 [0,1,0,1,0,0|1,0,1]=4 25723 B12R1.45 C#CCCCN1CCCC1CC 269982a_100000754278_100011215417 [0,1,0,1,0,0|1,0,1]=4 25724 B12R1.45 C#CCCCN1CCCC1CC 34a_100000754278_100000695029 [0,1,0,1,0,0|1,0,1]=4 25725 B12R1.45 C#CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000731252 [0,1,0,1,0,0|0,0,2]=4 25726 B12R1.45 C#CCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215417 [0,1,0,1,0,0|0,0,2]=4 25727 B12R1.45 C#CCCCN1CCC[C@@H]1CO 34a_100000745186_100000695029 [0,1,0,1,0,0|0,0,2]=4 25728 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [0,1,0,1,0,0|1,0,1]=4 25729 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [0,1,0,1,0,0|1,0,1]=4 25730 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [0,1,0,1,0,0|1,0,1]=4 25731 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [0,1,0,1,0,0|0,0,2]=4 25732 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [0,1,0,1,0,0|0,0,2]=4 25733 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [0,1,0,1,0,0|0,0,2]=4 25734 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [0,1,0,1,0,0|1,0,1]=4 25735 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [0,1,0,1,0,0|1,0,1]=4 25736 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 2230a_100000745186_100103147603 [0,1,0,1,0,0|0,0,2]=4 25737 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 269982a_100000745186_100103147603 [0,1,0,1,0,0|0,0,2]=4 25738 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 34a_100000745186_100103147603 [0,1,0,1,0,0|0,0,2]=4 25739 B12R1.45 CCC#CCN1CCC[C@@H]1CO 2230a_100000745186_100009813939 [0,1,0,1,0,0|0,0,2]=4 25740 B12R1.45 CCC#CCN1CCC[C@@H]1CO 34a_100000745186_100009813939 [0,1,0,1,0,0|0,0,2]=4 25741 B12R1.45 CCC1C=CCN1CCCCO 2230a_100000730860_100000210776 [0,1,0,1,0,0|0,0,2]=4 25742 B12R1.45 CCC1C=CCN1CCCCO 269982a_100000730860_100000210776 [0,1,0,1,0,0|0,0,2]=4 25743 B12R1.45 CCC1C=CCN1CCCCO 34a_100000730860_100011216708 [0,1,0,1,0,0|0,0,2]=4 25744 B12R1.45 CCC1CCCC1=NNCCO 4a_100000210001_100000749056 [0,1,0,1,0,0|1,0,1]=4 25745 B12R1.45 CCC1CCCC1NCCC#N 270004a_100000720768_100000749056 [0,1,0,1,0,0|1,0,1]=4 25746 B12R1.45 CCC1CCCC1NCCCF 269862a_100015189416_100000749056 [0,1,0,1,0,0|1,0,0]=3 25747 B12R1.45 CCC1CCCC1NCCCF 270004a_100015189416_100000749056 [0,1,0,1,0,0|1,0,0]=3 25748 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,1,0,1,0,0|0,0,0]=2 25749 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,1,0,1,0,0|0,0,0]=2 25750 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [0,1,0,1,0,0|1,0,0]=3 25751 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [0,1,0,1,0,0|1,0,0]=3 25752 B12R1.45 CCC1CCCC1NCCSC 269862a_100020590264_100000749056 [0,1,0,1,0,0|1,1,0]=4 25753 B12R1.45 CCC1CCCC1NCCSC 270004a_100020590264_100000749056 [0,1,0,1,0,0|1,1,0]=4 25754 B12R1.45 CCC1CCCN1CC#CCO 2230a_100000754278_200000047223 [0,1,0,1,0,0|0,0,2]=4 25755 B12R1.45 CCC1CCCN1CC#CCO 34a_100000754278_200000047223 [0,1,0,1,0,0|0,0,2]=4 25756 B12R1.45 CCC1CCCN1CCCC#N 2230a_100000754278_100000687738 [0,1,0,1,0,0|1,0,1]=4 25757 B12R1.45 CCC1CCCN1CCCC#N 269982a_100000754278_100000687738 [0,1,0,1,0,0|1,0,1]=4 25758 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [0,1,0,1,0,0|0,0,2]=4 25759 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [0,1,0,1,0,0|0,0,2]=4 25760 B12R1.45 CCC1CCCN1CCCCF 2230a_100000754278_100000729493 [0,1,0,1,0,0|1,0,0]=3 25761 B12R1.45 CCC1CCCN1CCCCF 269982a_100000754278_100000729493 [0,1,0,1,0,0|1,0,0]=3 25762 B12R1.45 CCC1CCCN1CCCCF 34a_100000754278_100000729493 [0,1,0,1,0,0|1,0,0]=3 25763 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,1,0,1,0,0|0,0,0]=2 25764 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,1,0,1,0,0|0,0,0]=2 25765 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,1,0,1,0,0|0,0,0]=2 25766 B12R1.45 CCC1CCCN1CCCOC 2230a_100000754278_100000740836 [0,1,0,1,0,0|1,0,0]=3 25767 B12R1.45 CCC1CCCN1CCCOC 269982a_100000754278_100000740836 [0,1,0,1,0,0|1,0,0]=3 25768 B12R1.45 CCC1CCCN1CCCOC 34a_100000754278_100000740836 [0,1,0,1,0,0|1,0,0]=3 25769 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,1,0,1,0,0|1,0,0]=3 25770 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,1,0,1,0,0|1,0,0]=3 25771 B12R1.45 CCCCCN1CCCC1C#N 2230a_100000701862_100000210326 [0,1,0,1,0,0|1,0,1]=4 25772 B12R1.45 CCCCCN1CCCC1CC 2230a_100000754278_100000210326 [0,1,0,1,0,0|1,0,0]=3 25773 B12R1.45 CCCCCN1CCCC1CC 269982a_100000754278_100000210215 [0,1,0,1,0,0|1,0,0]=3 25774 B12R1.45 CCCCCN1CCCC1CC 34a_100000754278_100000718602 [0,1,0,1,0,0|1,0,0]=3 25775 B12R1.45 CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210326 [0,1,0,1,0,0|1,0,1]=4 25776 B12R1.45 CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210215 [0,1,0,1,0,0|1,0,1]=4 25777 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,1,0,1,0,0|0,0,0]=2 25778 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,1,0,1,0,0|0,0,0]=2 25779 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,1,0,1,0,0|0,0,0]=2 25780 B12R1.45 CCCCNC1CCCC1CC 269862a_100000102301_100000749056 [0,1,0,1,0,0|1,0,0]=3 25781 B12R1.45 CCCCNC1CCCC1CC 270004a_100000102301_100000749056 [0,1,0,1,0,0|1,0,0]=3 25782 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210210 [0,1,0,1,0,0|1,0,1]=4 25783 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210211 [0,1,0,1,0,0|1,0,1]=4 25784 B12R1.45 CCCNCC1CCCN1CC 2230a_100000211693_100000210303 [0,1,0,1,0,0|2,0,0]=4 25785 B12R1.45 CCCOC[C@H]1CCCN1CC 34a_100011739246_100000210303 [0,1,0,1,0,0|2,0,0]=4 25786 B12R1.45 CCCOC[C@H]1CCCN1CC 7a_100011739246_100000210303 [0,1,0,1,0,0|2,0,0]=4 25787 B12R1.45 CCN1CCCC1CNCCF 2230a_100000211693_100011217306 [0,1,0,1,0,0|2,0,0]=4 25788 B12R1.45 CCN1CCCC1CNCCO 2230a_100000211693_100000211926 [0,1,0,1,0,0|1,0,0]=3 25789 B12R1.45 CCN1CCCC1CNCOC 2230a_100000211693_100000766300 [0,1,0,1,0,0|2,0,0]=4 25790 B12R1.45 CCN1CCC[C@@H]1COCCF 34a_100011739246_100011217306 [0,1,0,1,0,0|2,0,0]=4 25791 B12R1.45 CCN1CCC[C@@H]1COCCF 7a_100011739246_100011217306 [0,1,0,1,0,0|2,0,0]=4 25792 B12R1.45 CCN1CCC[C@@H]1COCCO 34a_100011739246_100000211926 [0,1,0,1,0,0|1,0,0]=3 25793 B12R1.45 CCN1CCC[C@@H]1COCCO 7a_100011739246_100000211926 [0,1,0,1,0,0|1,0,0]=3 25794 B12R1.45 CCOCCN1CCCC1CC 2230a_100000754278_100011215890 [0,1,0,1,0,0|2,0,0]=4 25795 B12R1.45 CCOCCN1CCCC1CC 269982a_100000754278_100011215890 [0,1,0,1,0,0|2,0,0]=4 25796 B12R1.45 CCOCCN1CCCC1CC 34a_100000754278_100000210147 [0,1,0,1,0,0|2,0,0]=4 25797 B12R1.45 CCOCCN1CCC[C@@H]1CO 2230a_100000745186_100011215890 [0,1,0,1,0,0|1,0,0]=3 25798 B12R1.45 CCOCCN1CCC[C@@H]1CO 269982a_100000745186_100011215890 [0,1,0,1,0,0|1,0,0]=3 25799 B12R1.45 CCOCCN1CCC[C@@H]1CO 34a_100000745186_100000210147 [0,1,0,1,0,0|1,0,0]=3 25800 B12R1.45 CCSCCN1CCCC1CC 2230a_100000754278_100000757381 [0,1,0,1,0,0|2,0,0]=4 25801 B12R1.45 CCSCCN1CCCC1CC 269982a_100000754278_100000757381 [0,1,0,1,0,0|2,0,0]=4 25802 B12R1.45 CCSCCN1CCCC1CC 34a_100000754278_100000757381 [0,1,0,1,0,0|2,0,0]=4 25803 B12R1.45 CCSCCN1CCC[C@@H]1CO 2230a_100000745186_100000757381 [0,1,0,1,0,0|1,0,0]=3 25804 B12R1.45 CCSCCN1CCC[C@@H]1CO 269982a_100000745186_100000757381 [0,1,0,1,0,0|1,0,0]=3 25805 B12R1.45 CCSCCN1CCC[C@@H]1CO 34a_100000745186_100000757381 [0,1,0,1,0,0|1,0,0]=3 25806 B12R1.45 COCCCN1CCC[C@@H]1CO 2230a_100000745186_100000740836 [0,1,0,1,0,0|1,0,0]=3 25807 B12R1.45 COCCCN1CCC[C@@H]1CO 269982a_100000745186_100000740836 [0,1,0,1,0,0|1,0,0]=3 25808 B12R1.45 COCCCN1CCC[C@@H]1CO 34a_100000745186_100000740836 [0,1,0,1,0,0|1,0,0]=3 25809 B12R1.45 N#CC1CCCN1CCCCO 2230a_100000701862_100000210776 [0,1,0,1,0,0|1,0,1]=4 25810 B12R1.45 N#CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000687738 [0,1,0,1,0,0|1,0,1]=4 25811 B12R1.45 N#CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000687738 [0,1,0,1,0,0|1,0,1]=4 25812 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 34a_100011907464_100000230001 [0,1,0,1,0,0|1,0,1]=4 25813 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 7a_100011907464_100011215043 [0,1,0,1,0,0|1,0,1]=4 25814 B12R1.45 N#C[C@H]1CCCN1CCCCO 2230a_106645074975_100000210776 [0,1,0,1,0,0|1,0,1]=4 25815 B12R1.45 N#C[C@H]1CCCN1CCCCO 269982a_106645074975_100000210776 [0,1,0,1,0,0|1,0,1]=4 25816 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [0,1,0,1,0,0|1,0,1]=4 25817 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [0,1,0,1,0,0|1,0,1]=4 25818 B12R1.45 OCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210776 [0,1,0,1,0,0|1,0,0]=3 25819 B12R1.45 OCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210776 [0,1,0,1,0,0|1,0,0]=3 25820 B12R1.45 OCCCCN1CCC[C@@H]1CO 34a_100000745186_100011216708 [0,1,0,1,0,0|1,0,0]=3 25821 B12R1.45 OC[C@H]1CCCN1CCCCF 2230a_100000745186_100000729493 [0,1,0,1,0,0|1,0,0]=3 25822 B12R1.45 OC[C@H]1CCCN1CCCCF 269982a_100000745186_100000729493 [0,1,0,1,0,0|1,0,0]=3 25823 B12R1.45 OC[C@H]1CCCN1CCCCF 34a_100000745186_100000729493 [0,1,0,1,0,0|1,0,0]=3 25824 B12R1.121 C#CC1CCCCN1CCCC 2230a_200020621307_100000210211 [0,1,0,1,0,0|1,0,1]=4 25825 B12R1.121 C#CC1CCCCN1CCCC 269982a_200020621307_100000210211 [0,1,0,1,0,0|1,0,1]=4 25826 B12R1.121 C#CC1CCCCN1CCCC 34a_200020621307_100000210210 [0,1,0,1,0,0|1,0,1]=4 25827 B12R1.121 C#CC1CCCCN1CCCO 2230a_200020621307_100000230001 [0,1,0,1,0,0|0,0,2]=4 25828 B12R1.121 C#CC1CCCCN1CCCO 269982a_200020621307_100011215043 [0,1,0,1,0,0|0,0,2]=4 25829 B12R1.121 C#CC1CCCCN1CCCO 34a_200020621307_100000230001 [0,1,0,1,0,0|0,0,2]=4 25830 B12R1.121 C#CCCN1CCCCC1CC 2230a_100000210034_100000688953 [0,1,0,1,0,0|1,0,1]=4 25831 B12R1.121 C#CCCN1CCCCC1CC 269982a_100000210034_100000730999 [0,1,0,1,0,0|1,0,1]=4 25832 B12R1.121 C#CCCN1CCCCC1CC 34a_100000210034_100000688953 [0,1,0,1,0,0|1,0,1]=4 25833 B12R1.121 C#CCCN1CCCCC1CO 2230a_100000210821_100000688953 [0,1,0,1,0,0|0,0,2]=4 25834 B12R1.121 C#CCCN1CCCCC1CO 269982a_100000210821_100000730999 [0,1,0,1,0,0|0,0,2]=4 25835 B12R1.121 C#CCCN1CCCCC1CO 34a_100000210821_100000688953 [0,1,0,1,0,0|0,0,2]=4 25836 B12R1.121 C#CCOC1CCCCC1CC 34a_100000210738_100000184674 [0,1,0,1,0,0|1,0,1]=4 25837 B12R1.121 C#CCOC1CCCCC1CC 7a_100000210738_100000038162 [0,1,0,1,0,0|1,0,1]=4 25838 B12R1.121 C/C=C/CN1CCCCC1CO 269982a_100000210821_100102629194 [0,1,0,1,0,0|0,0,2]=4 25839 B12R1.121 C/C=C/CN1CCCCC1CO 34a_100000210821_100102629194 [0,1,0,1,0,0|0,0,2]=4 25840 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [0,1,0,1,0,0|1,0,1]=4 25841 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [0,1,0,1,0,0|1,0,1]=4 25842 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [0,1,0,1,0,0|1,0,1]=4 25843 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [0,1,0,1,0,0|0,0,2]=4 25844 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [0,1,0,1,0,0|0,0,2]=4 25845 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [0,1,0,1,0,0|0,0,2]=4 25846 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [0,1,0,1,0,0|1,0,1]=4 25847 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [0,1,0,1,0,0|0,0,2]=4 25848 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,1,0,1,0,0|1,0,1]=4 25849 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,1,0,1,0,0|1,0,1]=4 25850 B12R1.121 CC#CCN1CCCCC1CO 2230a_100000210821_100000748600 [0,1,0,1,0,0|0,0,2]=4 25851 B12R1.121 CC#CCN1CCCCC1CO 34a_100000210821_100000748600 [0,1,0,1,0,0|0,0,2]=4 25852 B12R1.121 CC=CCN1CCCCC1CO 2230a_100000210821_100000070051 [0,1,0,1,0,0|0,0,2]=4 25853 B12R1.121 CC=CCN1CCCCC1CO 34a_100000210821_100000070051 [0,1,0,1,0,0|0,0,2]=4 25854 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [0,1,0,1,0,0|1,0,0]=3 25855 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,1,0,1,0,0|0,0,0]=2 25856 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,1,0,1,0,0|0,0,0]=2 25857 B12R1.121 CCC1CCCCC1OCC#N 7a_100000210738_100011215382 [0,1,0,1,0,0|1,0,1]=4 25858 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,1,0,1,0,0|0,0,2]=4 25859 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,1,0,1,0,0|0,0,2]=4 25860 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [0,1,0,1,0,0|1,0,0]=3 25861 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [0,1,0,1,0,0|1,0,0]=3 25862 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,1,0,1,0,0|0,0,0]=2 25863 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,1,0,1,0,0|0,0,0]=2 25864 B12R1.121 CCC1CCCCC1OCSC 34a_100000210738_100011218213 [0,1,0,1,0,0|1,1,0]=4 25865 B12R1.121 CCC1CCCCN1CCC#N 2230a_100000210034_100011215226 [0,1,0,1,0,0|1,0,1]=4 25866 B12R1.121 CCC1CCCCN1CCC#N 269982a_100000210034_100011215226 [0,1,0,1,0,0|1,0,1]=4 25867 B12R1.121 CCC1CCCCN1CCCF 2230a_100000210034_100011934791 [0,1,0,1,0,0|1,0,0]=3 25868 B12R1.121 CCC1CCCCN1CCCF 269982a_100000210034_100011934791 [0,1,0,1,0,0|1,0,0]=3 25869 B12R1.121 CCC1CCCCN1CCCF 34a_100000210034_100011934791 [0,1,0,1,0,0|1,0,0]=3 25870 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,1,0,1,0,0|0,0,0]=2 25871 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,1,0,1,0,0|0,0,0]=2 25872 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,1,0,1,0,0|0,0,0]=2 25873 B12R1.121 CCC1CCCCN1CCNC 2230a_100000755458_200000210301 [0,1,0,1,0,0|2,0,0]=4 25874 B12R1.121 CCC1CCCCN1CCNC 34a_100000755458_200000210301 [0,1,0,1,0,0|2,0,0]=4 25875 B12R1.121 CCC1CCCCN1CCN[13CH3] 2230a_100000755458_200025704644 [0,1,0,1,0,0|2,0,0]=4 25876 B12R1.121 CCC1CCCCN1CCN[13CH3] 34a_100000755458_200025704644 [0,1,0,1,0,0|2,0,0]=4 25877 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [0,1,0,1,0,0|1,0,0]=3 25878 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [0,1,0,1,0,0|1,0,0]=3 25879 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [0,1,0,1,0,0|1,0,0]=3 25880 B12R1.121 CCC1CCCCN1CCSC 2230a_100000210034_100000751147 [0,1,0,1,0,0|1,1,0]=4 25881 B12R1.121 CCC1CCCCN1CCSC 269982a_100000210034_100000212216 [0,1,0,1,0,0|1,1,0]=4 25882 B12R1.121 CCC1CCCCN1CCSC 34a_100000210034_100000212216 [0,1,0,1,0,0|1,1,0]=4 25883 B12R1.121 CCCCN1CCCCC1C#N 34a_100016989756_100000210210 [0,1,0,1,0,0|1,0,1]=4 25884 B12R1.121 CCCCN1CCCCC1CC 2230a_100000210034_100000210211 [0,1,0,1,0,0|1,0,0]=3 25885 B12R1.121 CCCCN1CCCCC1CC 269982a_100000210034_100000210211 [0,1,0,1,0,0|1,0,0]=3 25886 B12R1.121 CCCCN1CCCCC1CC 34a_100000210034_100000210210 [0,1,0,1,0,0|1,0,0]=3 25887 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,1,0,1,0,0|0,0,0]=2 25888 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,1,0,1,0,0|0,0,0]=2 25889 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,1,0,1,0,0|0,0,0]=2 25890 B12R1.121 CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210211 [0,1,0,1,0,0|2,0,0]=4 25891 B12R1.121 CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210211 [0,1,0,1,0,0|2,0,0]=4 25892 B12R1.121 CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000210210 [0,1,0,1,0,0|2,0,0]=4 25893 B12R1.121 CCCCN1CCOC[C@H]1CO 2230a_100000717676_100000210211 [0,1,0,1,0,0|1,0,0]=3 25894 B12R1.121 CCCCN1CCOC[C@H]1CO 269982a_100000717676_100000210211 [0,1,0,1,0,0|1,0,0]=3 25895 B12R1.121 CCCCN1CCOC[C@H]1CO 34a_100000717676_100000210210 [0,1,0,1,0,0|1,0,0]=3 25896 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [0,1,0,1,0,0|1,0,0]=3 25897 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [0,1,0,1,0,0|1,0,0]=3 25898 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,1,0,1,0,0|0,0,0]=2 25899 B12R1.121 CCCNC1CCCCC1OC 270004a_100020643023_100000740605 [0,1,0,1,0,0|1,0,0]=3 25900 B12R1.121 CCCNC1CCCCC1OC 34a_100011208099_100000210303 [0,1,0,1,0,0|1,0,0]=3 25901 B12R1.121 CCCNC1CCOCC1CO 2230a_214813039666_100000210303 [0,1,0,1,0,0|1,0,0]=3 25902 B12R1.121 CCCNC1CCOCC1CO 34a_214813039666_100000210303 [0,1,0,1,0,0|1,0,0]=3 25903 B12R1.121 CCCNC1CCOCC1OC 270004a_100020643023_100000095984 [0,1,0,1,0,0|2,0,0]=4 25904 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [0,1,0,1,0,0|1,0,0]=3 25905 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [0,1,0,1,0,0|1,0,0]=3 25906 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [0,1,0,1,0,0|1,0,0]=3 25907 B12R1.121 CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210303 [0,1,0,1,0,0|2,0,0]=4 25908 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [0,1,0,1,0,0|1,0,0]=3 25909 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [0,1,0,1,0,0|1,0,0]=3 25910 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,1,0,1,0,0|0,0,0]=2 25911 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,1,0,1,0,0|0,0,0]=2 25912 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,1,0,1,0,0|0,0,0]=2 25913 B12R1.121 CCN1CCCCC1CCOC 2230a_100015186528_100000210202 [0,1,0,1,0,0|1,0,0]=3 25914 B12R1.121 CCN1CCCCC1CCOC 269982a_100015186528_100000204670 [0,1,0,1,0,0|1,0,0]=3 25915 B12R1.121 CCN1CCCCC1CCOC 34a_100015186528_100000210202 [0,1,0,1,0,0|1,0,0]=3 25916 B12R1.121 CCN1CCCCC1CNCF 34a_100000754393_100015361967 [0,1,0,1,0,0|2,0,0]=4 25917 B12R1.121 CCN1CCCCC1COCF 34a_100000225091_100015361967 [0,1,0,1,0,0|2,0,0]=4 25918 B12R1.121 CCN1CCCCC1COCF 7a_100000225091_100015361967 [0,1,0,1,0,0|2,0,0]=4 25919 B12R1.121 CCNCC1CCCCN1CC 2230a_100000754393_100000210202 [0,1,0,1,0,0|2,0,0]=4 25920 B12R1.121 CCNCC1CCCCN1CC 34a_100000754393_100000210202 [0,1,0,1,0,0|2,0,0]=4 25921 B12R1.121 CCNN=C1CCCCC1CO 4a_100000756455_100009861125 [0,1,0,1,0,0|1,0,1]=4 25922 B12R1.121 CCOCC1CCCCN1CC 34a_100000225091_100000210202 [0,1,0,1,0,0|2,0,0]=4 25923 B12R1.121 CCOCC1CCCCN1CC 7a_100000225091_100000210202 [0,1,0,1,0,0|2,0,0]=4 25924 B12R1.121 CCOCN1CCCCC1CC 269982a_100000210034_100000739092 [0,1,0,1,0,0|2,0,0]=4 25925 B12R1.121 CCOCN1CCCCC1CO 269982a_100000210821_100000739092 [0,1,0,1,0,0|1,0,0]=3 25926 B12R1.121 CCOCN1CCOC[C@H]1CO 269982a_100000717676_100000739092 [0,1,0,1,0,0|2,0,0]=4 25927 B12R1.121 CC[C@H]1COCCN1CCCF 2230a_100016988097_100011934791 [0,1,0,1,0,0|2,0,0]=4 25928 B12R1.121 CC[C@H]1COCCN1CCCF 269982a_100016988097_100011934791 [0,1,0,1,0,0|2,0,0]=4 25929 B12R1.121 CC[C@H]1COCCN1CCCF 34a_100016988097_100011934791 [0,1,0,1,0,0|2,0,0]=4 25930 B12R1.121 CC[C@H]1COCCN1CCCO 2230a_100016988097_100000230001 [0,1,0,1,0,0|1,0,0]=3 25931 B12R1.121 CC[C@H]1COCCN1CCCO 269982a_100016988097_100011215043 [0,1,0,1,0,0|1,0,0]=3 25932 B12R1.121 CC[C@H]1COCCN1CCCO 34a_100016988097_100000230001 [0,1,0,1,0,0|1,0,0]=3 25933 B12R1.121 CC[C@H]1COCCN1CCOC 2230a_100016988097_100011201679 [0,1,0,1,0,0|2,0,0]=4 25934 B12R1.121 CC[C@H]1COCCN1CCOC 269982a_100016988097_100000233755 [0,1,0,1,0,0|2,0,0]=4 25935 B12R1.121 CC[C@H]1COCCN1CCOC 34a_100016988097_100011201679 [0,1,0,1,0,0|2,0,0]=4 25936 B12R1.121 CNC1CCCCC1CCC#N 270004a_106832991635_100000034616 [0,1,0,1,0,0|1,0,1]=4 25937 B12R1.121 CNCCN1CCCCC1CO 2230a_100011473795_200000210301 [0,1,0,1,0,0|1,0,0]=3 25938 B12R1.121 CNCCN1CCCCC1CO 34a_100011473795_200000210301 [0,1,0,1,0,0|1,0,0]=3 25939 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCF 34a_100000708425_100011217306 [0,1,0,1,0,0|2,0,0]=4 25940 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCO 34a_100000708425_100000211926 [0,1,0,1,0,0|1,0,0]=3 25941 B12R1.121 COC1CCCCC1NCCF 34a_100011208099_100011217306 [0,1,0,1,0,0|2,0,0]=4 25942 B12R1.121 COC1CCCCC1NCCO 270004a_100000210304_100000740605 [0,1,0,1,0,0|1,0,0]=3 25943 B12R1.121 COC1CCCCC1NCCO 34a_100011208099_100000211926 [0,1,0,1,0,0|1,0,0]=3 25944 B12R1.121 COC1CCCCC1NCSC 34a_100011208099_100011218213 [0,1,0,1,0,0|2,0,0]=4 25945 B12R1.121 COC1COCCC1NCCO 270004a_100000210304_100000095984 [0,1,0,1,0,0|2,0,0]=4 25946 B12R1.121 COCCC1CCCCN1CF 269982a_100015186528_100015361967 [0,1,0,1,0,0|2,0,0]=4 25947 B12R1.121 COCCC1CCCCN1CF 34a_100015186528_100015361967 [0,1,0,1,0,0|2,0,0]=4 25948 B12R1.121 COCCN1CCCCC1CO 2230a_100000210821_100011201679 [0,1,0,1,0,0|1,0,0]=3 25949 B12R1.121 COCCN1CCCCC1CO 269982a_100000210821_100000233755 [0,1,0,1,0,0|1,0,0]=3 25950 B12R1.121 COCCN1CCCCC1CO 34a_100000210821_100011201679 [0,1,0,1,0,0|1,0,0]=3 25951 B12R1.121 COCCN1CCOC[C@H]1CO 2230a_100000717676_100011201679 [0,1,0,1,0,0|2,0,0]=4 25952 B12R1.121 COCCN1CCOC[C@H]1CO 269982a_100000717676_100000233755 [0,1,0,1,0,0|2,0,0]=4 25953 B12R1.121 COCCN1CCOC[C@H]1CO 34a_100000717676_100011201679 [0,1,0,1,0,0|2,0,0]=4 25954 B12R1.121 COCNC1CCOCC1CO 2230a_214813039666_100000766300 [0,1,0,1,0,0|2,0,0]=4 25955 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCF 34a_200009815850_100011217306 [0,1,0,1,0,0|2,0,0]=4 25956 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCF 7a_200009815850_100011217306 [0,1,0,1,0,0|2,0,0]=4 25957 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 34a_200009815850_100000211926 [0,1,0,1,0,0|1,0,0]=3 25958 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 7a_200009815850_100000211926 [0,1,0,1,0,0|1,0,0]=3 25959 B12R1.121 CO[C@H]1CCCC[C@@H]1OCSC 34a_200009815850_100011218213 [0,1,0,1,0,0|2,0,0]=4 25960 B12R1.121 CSCCN1CCCCC1CO 2230a_100000210821_100000751147 [0,1,0,1,0,0|1,0,0]=3 25961 B12R1.121 CSCCN1CCCCC1CO 269982a_100000210821_100000212216 [0,1,0,1,0,0|1,0,0]=3 25962 B12R1.121 CSCCN1CCCCC1CO 34a_100000210821_100000212216 [0,1,0,1,0,0|1,0,0]=3 25963 B12R1.121 CSCCN1CCOC[C@H]1CO 2230a_100000717676_100000751147 [0,1,0,1,0,0|2,0,0]=4 25964 B12R1.121 CSCCN1CCOC[C@H]1CO 269982a_100000717676_100000212216 [0,1,0,1,0,0|2,0,0]=4 25965 B12R1.121 CSCCN1CCOC[C@H]1CO 34a_100000717676_100000212216 [0,1,0,1,0,0|2,0,0]=4 25966 B12R1.121 CSCNC1CCOCC1CO 2230a_214813039666_100011218213 [0,1,0,1,0,0|2,0,0]=4 25967 B12R1.121 CSCNC1CCOCC1CO 34a_214813039666_100011218213 [0,1,0,1,0,0|2,0,0]=4 25968 B12R1.121 CSCOC1CCCCC1CN 34a_100011216029_100011218213 [0,1,0,1,0,0|2,0,0]=4 25969 B12R1.121 N#CC1CCCCN1CCCO 34a_100016989756_100000230001 [0,1,0,1,0,0|1,0,1]=4 25970 B12R1.121 N#CCCN1CCCCC1CO 2230a_100000210821_100011215226 [0,1,0,1,0,0|1,0,1]=4 25971 B12R1.121 N#CCCN1CCCCC1CO 269982a_100000210821_100011215226 [0,1,0,1,0,0|1,0,1]=4 25972 B12R1.121 NCC1CCCCC1OCCF 34a_100011216029_100011217306 [0,1,0,1,0,0|2,0,0]=4 25973 B12R1.121 NCC1CCCCC1OCCO 34a_100011216029_100000211926 [0,1,0,1,0,0|1,0,0]=3 25974 B12R1.121 OCC1CCCCN1CCCF 2230a_100000210821_100011934791 [0,1,0,1,0,0|1,0,0]=3 25975 B12R1.121 OCC1CCCCN1CCCF 269982a_100000210821_100011934791 [0,1,0,1,0,0|1,0,0]=3 25976 B12R1.121 OCC1CCCCN1CCCF 34a_100000210821_100011934791 [0,1,0,1,0,0|1,0,0]=3 25977 B12R1.121 OCC1COCCC1NCCF 2230a_214813039666_100011217306 [0,1,0,1,0,0|2,0,0]=4 25978 B12R1.121 OCC1COCCC1NCCF 34a_214813039666_100011217306 [0,1,0,1,0,0|2,0,0]=4 25979 B12R1.121 OCCCC1CCCCN1CF 269982a_100011934581_100015361967 [0,1,0,1,0,0|1,0,0]=3 25980 B12R1.121 OCCCC1CCCCN1CF 34a_100011934581_100015361967 [0,1,0,1,0,0|1,0,0]=3 25981 B12R1.121 OCCCN1CCCCC1CO 2230a_100000210821_100000230001 [0,1,0,1,0,0|1,0,0]=3 25982 B12R1.121 OCCCN1CCCCC1CO 269982a_100000210821_100011215043 [0,1,0,1,0,0|1,0,0]=3 25983 B12R1.121 OCCCN1CCCCC1CO 34a_100000210821_100000230001 [0,1,0,1,0,0|1,0,0]=3 25984 B12R1.121 OCCCN1CCOC[C@H]1CO 2230a_100000717676_100000230001 [0,1,0,1,0,0|2,0,0]=4 25985 B12R1.121 OCCCN1CCOC[C@H]1CO 269982a_100000717676_100011215043 [0,1,0,1,0,0|2,0,0]=4 25986 B12R1.121 OCCCN1CCOC[C@H]1CO 34a_100000717676_100000230001 [0,1,0,1,0,0|2,0,0]=4 25987 B12R1.121 OCCNC1CCCCC1CO 270004a_100000210304_100009861125 [0,1,0,1,0,0|1,0,0]=3 25988 B12R1.121 OCCNC1CCOCC1CO 2230a_214813039666_100000211926 [0,1,0,1,0,0|2,0,0]=4 25989 B12R1.121 OCCNC1CCOCC1CO 34a_214813039666_100000211926 [0,1,0,1,0,0|2,0,0]=4 25990 B12R1.121 OC[C@@H]1COCCN1CCCF 2230a_100000717676_100011934791 [0,1,0,1,0,0|2,0,0]=4 25991 B12R1.121 OC[C@@H]1COCCN1CCCF 269982a_100000717676_100011934791 [0,1,0,1,0,0|2,0,0]=4 25992 B12R1.121 OC[C@@H]1COCCN1CCCF 34a_100000717676_100011934791 [0,1,0,1,0,0|2,0,0]=4 25993 B12R1.121 [13CH3]NCCN1CCCCC1CO 2230a_100011473795_200025704644 [0,1,0,1,0,0|1,0,0]=3 25994 B12R1.121 [13CH3]NCCN1CCCCC1CO 34a_100011473795_200025704644 [0,1,0,1,0,0|1,0,0]=3 25995 B12R1.169 C#CCN1CCCCC1CCC 2230a_100000701414_100000038162 [0,1,0,1,0,0|1,0,1]=4 25996 B12R1.169 C#CCN1CCCCC1CCC 34a_100000701414_100000184674 [0,1,0,1,0,0|1,0,1]=4 25997 B12R1.169 C#CCN1CCCCC1CCO 2230a_100000211664_100000038162 [0,1,0,1,0,0|0,0,2]=4 25998 B12R1.169 C#CCN1CCCCC1CCO 34a_100000211664_100000184674 [0,1,0,1,0,0|0,0,2]=4 25999 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [0,1,0,1,0,0|1,0,1]=4 26000 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [0,1,0,1,0,0|1,0,1]=4 26001 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [0,1,0,1,0,0|1,0,1]=4 26002 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [0,1,0,1,0,0|1,0,1]=4 26003 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [0,1,0,1,0,0|1,0,1]=4 26004 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [0,1,0,1,0,0|0,0,2]=4 26005 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [0,1,0,1,0,0|0,0,2]=4 26006 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [0,1,0,1,0,0|0,0,2]=4 26007 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [0,1,0,1,0,0|1,0,0]=3 26008 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [0,1,0,1,0,0|1,0,0]=3 26009 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [0,1,0,1,0,0|1,0,0]=3 26010 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [0,1,0,1,0,0|1,0,0]=3 26011 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [0,1,0,1,0,0|1,0,0]=3 26012 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [0,1,0,1,0,0|1,0,0]=3 26013 B12R1.169 CCCC1CCCCN1CC#N 2230a_100000701414_100011215382 [0,1,0,1,0,0|1,0,1]=4 26014 B12R1.169 CCCC1CCCCN1CC#N 269982a_100000701414_100011214920 [0,1,0,1,0,0|1,0,1]=4 26015 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [0,1,0,1,0,0|0,0,2]=4 26016 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [0,1,0,1,0,0|0,0,2]=4 26017 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [0,1,0,1,0,0|0,0,2]=4 26018 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [0,1,0,1,0,0|1,0,0]=3 26019 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [0,1,0,1,0,0|1,0,0]=3 26020 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [0,1,0,1,0,0|1,0,0]=3 26021 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [0,1,0,1,0,0|1,0,0]=3 26022 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [0,1,0,1,0,0|1,0,0]=3 26023 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [0,1,0,1,0,0|1,0,0]=3 26024 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,1,0,1,0,0|0,0,0]=2 26025 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,1,0,1,0,0|0,0,0]=2 26026 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,1,0,1,0,0|0,0,0]=2 26027 B12R1.169 CCCC1CCCCN1COC 2230a_100000701414_100000766300 [0,1,0,1,0,0|1,0,0]=3 26028 B12R1.169 CCCC1CCCCN1COC 269982a_100000701414_100000766300 [0,1,0,1,0,0|1,0,0]=3 26029 B12R1.169 CCCC1CCCCN1CSC 2230a_100000701414_100011218213 [0,1,0,1,0,0|1,1,0]=4 26030 B12R1.169 CCCC1CCCCN1CSC 269982a_100000701414_100011218213 [0,1,0,1,0,0|1,1,0]=4 26031 B12R1.169 CCCC1CCCCN1CSC 34a_100000701414_100011218213 [0,1,0,1,0,0|1,1,0]=4 26032 B12R1.169 CCCC1COCCN1CCC 2230a_102495339903_100000210303 [0,1,0,1,0,0|2,0,0]=4 26033 B12R1.169 CCCC1COCCN1CCC 269982a_102495339903_100000210303 [0,1,0,1,0,0|2,0,0]=4 26034 B12R1.169 CCCC1COCCN1CCC 34a_102495339903_100000210303 [0,1,0,1,0,0|2,0,0]=4 26035 B12R1.169 CCCC1COCCN1CCF 2230a_102495339903_100011217306 [0,1,0,1,0,0|2,0,0]=4 26036 B12R1.169 CCCC1COCCN1CCF 269982a_102495339903_100011217306 [0,1,0,1,0,0|2,0,0]=4 26037 B12R1.169 CCCC1COCCN1CCF 34a_102495339903_100011217306 [0,1,0,1,0,0|2,0,0]=4 26038 B12R1.169 CCCC1COCCN1CCO 2230a_102495339903_100000211926 [0,1,0,1,0,0|1,0,0]=3 26039 B12R1.169 CCCC1COCCN1CCO 269982a_102495339903_100000211926 [0,1,0,1,0,0|1,0,0]=3 26040 B12R1.169 CCCC1COCCN1CCO 34a_102495339903_100000211926 [0,1,0,1,0,0|1,0,0]=3 26041 B12R1.169 CCCC1COCCN1COC 2230a_102495339903_100000766300 [0,1,0,1,0,0|2,0,0]=4 26042 B12R1.169 CCCC1COCCN1COC 269982a_102495339903_100000766300 [0,1,0,1,0,0|2,0,0]=4 26043 B12R1.169 CCCN1CCCCC1CC#N 2230a_100000133382_100000210303 [0,1,0,1,0,0|1,0,1]=4 26044 B12R1.169 CCCN1CCCCC1CC#N 34a_100000133382_100000210303 [0,1,0,1,0,0|1,0,1]=4 26045 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,1,0,1,0,0|0,0,0]=2 26046 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,1,0,1,0,0|0,0,0]=2 26047 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,1,0,1,0,0|0,0,0]=2 26048 B12R1.169 CCCN1CCCCC1COC 2230a_100015184032_100000210303 [0,1,0,1,0,0|1,0,0]=3 26049 B12R1.169 CCCN1CCCCC1COC 269982a_100015184032_100000210303 [0,1,0,1,0,0|1,0,0]=3 26050 B12R1.169 CCCN1CCCCC1COC 34a_100015184032_100000210303 [0,1,0,1,0,0|1,0,0]=3 26051 B12R1.169 CCCN1CCOC[C@@H]1COC 2230a_100016989928_100000210303 [0,1,0,1,0,0|2,0,0]=4 26052 B12R1.169 CCCN1CCOC[C@@H]1COC 269982a_100016989928_100000210303 [0,1,0,1,0,0|2,0,0]=4 26053 B12R1.169 CCCN1CCOC[C@@H]1COC 34a_100016989928_100000210303 [0,1,0,1,0,0|2,0,0]=4 26054 B12R1.169 CCNC1CCCCC1CC#N 270004a_100015525214_100009866218 [0,1,0,1,0,0|1,0,1]=4 26055 B12R1.169 CCNC1CCCCC1OCC 270004a_100015525214_200000031474 [0,1,0,1,0,0|2,0,0]=4 26056 B12R1.169 COCC1CCCCN1CCF 2230a_100015184032_100011217306 [0,1,0,1,0,0|2,0,0]=4 26057 B12R1.169 COCC1CCCCN1CCF 269982a_100015184032_100011217306 [0,1,0,1,0,0|2,0,0]=4 26058 B12R1.169 COCC1CCCCN1CCF 34a_100015184032_100011217306 [0,1,0,1,0,0|2,0,0]=4 26059 B12R1.169 COCC1CCCCN1CCN 34a_100011473795_200000210301 [0,1,0,1,0,0|2,0,0]=4 26060 B12R1.169 COCC1CCCCN1CCO 2230a_100015184032_100000211926 [0,1,0,1,0,0|1,0,0]=3 26061 B12R1.169 COCC1CCCCN1CCO 269982a_100015184032_100000211926 [0,1,0,1,0,0|1,0,0]=3 26062 B12R1.169 COCC1CCCCN1CCO 34a_100015184032_100000211926 [0,1,0,1,0,0|1,0,0]=3 26063 B12R1.169 COCC1CCCCN1COC 2230a_100015184032_100000766300 [0,1,0,1,0,0|2,0,0]=4 26064 B12R1.169 COCC1CCCCN1COC 269982a_100015184032_100000766300 [0,1,0,1,0,0|2,0,0]=4 26065 B12R1.169 COCC1CCCCN1CSC 2230a_100015184032_100011218213 [0,1,0,1,0,0|2,0,0]=4 26066 B12R1.169 COCC1CCCCN1CSC 269982a_100015184032_100011218213 [0,1,0,1,0,0|2,0,0]=4 26067 B12R1.169 COCC1CCCCN1CSC 34a_100015184032_100011218213 [0,1,0,1,0,0|2,0,0]=4 26068 B12R1.169 COCN1CCCCC1CCO 2230a_100000211664_100000766300 [0,1,0,1,0,0|1,0,0]=3 26069 B12R1.169 COCN1CCCCC1CCO 269982a_100000211664_100000766300 [0,1,0,1,0,0|1,0,0]=3 26070 B12R1.169 COC[C@H]1COCCN1CCO 2230a_100016989928_100000211926 [0,1,0,1,0,0|2,0,0]=4 26071 B12R1.169 COC[C@H]1COCCN1CCO 269982a_100016989928_100000211926 [0,1,0,1,0,0|2,0,0]=4 26072 B12R1.169 COC[C@H]1COCCN1CCO 34a_100016989928_100000211926 [0,1,0,1,0,0|2,0,0]=4 26073 B12R1.169 CSCN1CCCCC1CCO 2230a_100000211664_100011218213 [0,1,0,1,0,0|1,0,0]=3 26074 B12R1.169 CSCN1CCCCC1CCO 269982a_100000211664_100011218213 [0,1,0,1,0,0|1,0,0]=3 26075 B12R1.169 CSCN1CCCCC1CCO 34a_100000211664_100011218213 [0,1,0,1,0,0|1,0,0]=3 26076 B12R1.169 N#CCC1CCCCN1CCO 2230a_100000133382_100000211926 [0,1,0,1,0,0|1,0,1]=4 26077 B12R1.169 N#CCC1CCCCN1CCO 34a_100000133382_100000211926 [0,1,0,1,0,0|1,0,1]=4 26078 B12R1.169 N#CCN1CCCCC1CCO 2230a_100000211664_100011215382 [0,1,0,1,0,0|1,0,1]=4 26079 B12R1.169 N#CCN1CCCCC1CCO 269982a_100000211664_100011214920 [0,1,0,1,0,0|1,0,1]=4 26080 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [0,1,0,1,0,0|1,0,1]=4 26081 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [0,1,0,1,0,0|1,0,1]=4 26082 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [0,1,0,1,0,0|1,0,1]=4 26083 B12R1.169 OCCC1CCCCN1CCF 2230a_100000211664_100011217306 [0,1,0,1,0,0|1,0,0]=3 26084 B12R1.169 OCCC1CCCCN1CCF 269982a_100000211664_100011217306 [0,1,0,1,0,0|1,0,0]=3 26085 B12R1.169 OCCC1CCCCN1CCF 34a_100000211664_100011217306 [0,1,0,1,0,0|1,0,0]=3 26086 B12R1.169 OCCC1CCCCN1CCO 2230a_100000211664_100000211926 [0,1,0,1,0,0|1,0,0]=3 26087 B12R1.169 OCCC1CCCCN1CCO 269982a_100000211664_100000211926 [0,1,0,1,0,0|1,0,0]=3 26088 B12R1.169 OCCC1CCCCN1CCO 34a_100000211664_100000211926 [0,1,0,1,0,0|1,0,0]=3 26089 B12R1.169 [13CH3]OCC1CCCCN1CCN 34a_100011473795_200025704644 [0,1,0,1,0,0|2,0,0]=4 26090 B12R1.173 C#CCN1CCCCCCCC1 2230a_100000039187_100000038162 [0,1,0,1,0,0|1,0,1]=4 26091 B12R1.173 C#CCN1CCCCCCCC1 34a_100000039187_100000184674 [0,1,0,1,0,0|1,0,1]=4 26092 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,1,0,1,0,0|1,0,1]=4 26093 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,1,0,1,0,0|1,0,1]=4 26094 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,1,0,1,0,0|1,0,1]=4 26095 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,1,0,1,0,0|1,0,0]=3 26096 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,1,0,1,0,0|1,0,0]=3 26097 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,1,0,1,0,0|1,0,0]=3 26098 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,1,0,1,0,0|1,0,0]=3 26099 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,1,0,1,0,0|1,0,0]=3 26100 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,1,0,1,0,0|1,0,0]=3 26101 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,1,0,1,0,0|1,1,0]=4 26102 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,1,0,1,0,0|1,1,0]=4 26103 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,1,0,1,0,0|1,1,0]=4 26104 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,1,0,1,0,0|1,0,0]=3 26105 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,1,0,1,0,0|1,0,0]=3 26106 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,1,0,1,0,0|1,0,0]=3 26107 B12R1.173 N#CCN1CCCCCCCC1 2230a_100000039187_100011215382 [0,1,0,1,0,0|1,0,1]=4 26108 B12R1.173 N#CCN1CCCCCCCC1 269982a_100000039187_100011214920 [0,1,0,1,0,0|1,0,1]=4 26109 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [0,1,0,1,0,0|0,0,2]=4 26110 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [0,1,0,1,0,0|0,0,2]=4 26111 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [0,1,0,1,0,0|0,0,2]=4 26112 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,1,0,1,0,0|0,0,0]=2 26113 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,1,0,1,0,0|0,0,0]=2 26114 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,1,0,1,0,0|0,0,0]=2 26115 B12R1.267 C#CCCCN1CCCCC1C 2230a_100000211376_100000731252 [0,1,0,1,0,0|1,0,1]=4 26116 B12R1.267 C#CCCCN1CCCCC1C 269982a_100000211376_100011215417 [0,1,0,1,0,0|1,0,1]=4 26117 B12R1.267 C#CCCCN1CCCCC1C 34a_100000211376_100000695029 [0,1,0,1,0,0|1,0,1]=4 26118 B12R1.267 C#CCCNC1CCCCC1C 2230a_100000211402_100000688953 [0,1,0,1,0,0|1,0,1]=4 26119 B12R1.267 C#CCCNC1CCCCC1C 34a_100000211402_100000688953 [0,1,0,1,0,0|1,0,1]=4 26120 B12R1.267 C#CCCNC1CCCCC1O 34a_100000755551_100000038908 [0,1,0,1,0,0|0,0,2]=4 26121 B12R1.267 C#CCCOC1CCCCC1C 34a_100000211207_100000688953 [0,1,0,1,0,0|1,0,1]=4 26122 B12R1.267 C#CCCOC1CCCCC1C 7a_100000211207_100000688953 [0,1,0,1,0,0|1,0,1]=4 26123 B12R1.267 C#CCCOC1CCCCC1O 34a_100011215631_100000038908 [0,1,0,1,0,0|0,0,2]=4 26124 B12R1.267 C#CCCSC1CCCCC1O 62a_100000038908_100000688953 [0,1,0,1,0,0|0,0,2]=4 26125 B12R1.267 C#CCCSC1CCCCC1O 62a_100000688953_100000038908 [0,1,0,1,0,0|0,0,2]=4 26126 B12R1.267 C#CCNCC1CCCCC1O 34a_100011216029_100000184674 [0,1,0,1,0,0|0,0,2]=4 26127 B12R1.267 C/C=C/COC1CCCCC1O 34a_100016270725_100000038908 [0,1,0,1,0,0|0,0,2]=4 26128 B12R1.267 C/C=C/CSC1CCCCC1O 62a_100000038908_100102629194 [0,1,0,1,0,0|0,0,2]=4 26129 B12R1.267 C/C=C/CSC1CCCCC1O 62a_100102629194_100000038908 [0,1,0,1,0,0|0,0,2]=4 26130 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [0,1,0,1,0,0|1,0,1]=4 26131 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [0,1,0,1,0,0|1,0,1]=4 26132 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [0,1,0,1,0,0|1,0,1]=4 26133 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [0,1,0,1,0,0|1,0,1]=4 26134 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [0,1,0,1,0,0|1,0,1]=4 26135 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [0,1,0,1,0,0|1,0,1]=4 26136 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [0,1,0,1,0,0|1,0,1]=4 26137 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,1,0,1,0,0|1,0,1]=4 26138 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,1,0,1,0,0|1,0,1]=4 26139 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,1,0,1,0,0|0,0,2]=4 26140 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [0,1,0,1,0,0|0,0,2]=4 26141 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [0,1,0,1,0,0|0,0,2]=4 26142 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [0,1,0,1,0,0|0,0,2]=4 26143 B12R1.267 CC#CCNC1CCCCC1O 34a_100000685387_100000038908 [0,1,0,1,0,0|0,0,2]=4 26144 B12R1.267 CC#CCOC1CCCCC1O 34a_100000761923_100000038908 [0,1,0,1,0,0|0,0,2]=4 26145 B12R1.267 CC#CCSC1CCCCC1O 62a_100000038908_100000748600 [0,1,0,1,0,0|0,0,2]=4 26146 B12R1.267 CC#CCSC1CCCCC1O 62a_100000748600_100000038908 [0,1,0,1,0,0|0,0,2]=4 26147 B12R1.267 CC1CC=CCC1CNCCO 269862a_100000210304_100000117039 [0,1,0,1,0,0|0,0,2]=4 26148 B12R1.267 CC1CC=CCC1CNCCO 270004a_100000210304_100000117039 [0,1,0,1,0,0|0,0,2]=4 26149 B12R1.267 CC1CC=CCC1COCCO 34a_100000211322_100000211926 [0,1,0,1,0,0|0,0,2]=4 26150 B12R1.267 CC1CCCCC1=NNCCO 4a_100000210001_100000210921 [0,1,0,1,0,0|1,0,1]=4 26151 B12R1.267 CC1CCCCC1NCCC#N 2230a_100000211402_100011215226 [0,1,0,1,0,0|1,0,1]=4 26152 B12R1.267 CC1CCCCC1NCCC#N 270004a_100000720768_100000210921 [0,1,0,1,0,0|1,0,1]=4 26153 B12R1.267 CC1CCCCC1NCCCF 2230a_100000211402_100011934791 [0,1,0,1,0,0|1,0,0]=3 26154 B12R1.267 CC1CCCCC1NCCCF 269862a_100015189416_100000210921 [0,1,0,1,0,0|1,0,0]=3 26155 B12R1.267 CC1CCCCC1NCCCF 270004a_100015189416_100000210921 [0,1,0,1,0,0|1,0,0]=3 26156 B12R1.267 CC1CCCCC1NCCCF 34a_100000211402_100011934791 [0,1,0,1,0,0|1,0,0]=3 26157 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,1,0,1,0,0|0,0,0]=2 26158 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,1,0,1,0,0|0,0,0]=2 26159 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,1,0,1,0,0|0,0,0]=2 26160 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,1,0,1,0,0|0,0,0]=2 26161 B12R1.267 CC1CCCCC1OCCC#N 7a_100000211207_100000184422 [0,1,0,1,0,0|1,0,1]=4 26162 B12R1.267 CC1CCCCC1OCCCF 34a_100000211207_100011934791 [0,1,0,1,0,0|1,0,0]=3 26163 B12R1.267 CC1CCCCC1OCCCF 7a_100000211207_100011934791 [0,1,0,1,0,0|1,0,0]=3 26164 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,1,0,1,0,0|0,0,0]=2 26165 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,1,0,1,0,0|0,0,0]=2 26166 B12R1.267 CC1CCCCN1CC#CCO 2230a_100000211376_200000047223 [0,1,0,1,0,0|0,0,2]=4 26167 B12R1.267 CC1CCCCN1CC#CCO 34a_100000211376_200000047223 [0,1,0,1,0,0|0,0,2]=4 26168 B12R1.267 CC1CCCCN1CCCC#N 2230a_100000211376_100000687738 [0,1,0,1,0,0|1,0,1]=4 26169 B12R1.267 CC1CCCCN1CCCC#N 269982a_100000211376_100000687738 [0,1,0,1,0,0|1,0,1]=4 26170 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [0,1,0,1,0,0|0,0,2]=4 26171 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [0,1,0,1,0,0|0,0,2]=4 26172 B12R1.267 CC1CCCCN1CCCCF 2230a_100000211376_100000729493 [0,1,0,1,0,0|1,0,0]=3 26173 B12R1.267 CC1CCCCN1CCCCF 269982a_100000211376_100000729493 [0,1,0,1,0,0|1,0,0]=3 26174 B12R1.267 CC1CCCCN1CCCCF 34a_100000211376_100000729493 [0,1,0,1,0,0|1,0,0]=3 26175 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,1,0,1,0,0|0,0,0]=2 26176 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,1,0,1,0,0|0,0,0]=2 26177 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,1,0,1,0,0|0,0,0]=2 26178 B12R1.267 CC1CCCCN1CCCN[13CH3] 34a_100000212276_200025704644 [0,1,0,1,0,0|2,0,0]=4 26179 B12R1.267 CC1CCCCN1CCCO[13CH3] 34a_100000213889_200025704644 [0,1,0,1,0,0|1,0,0]=3 26180 B12R1.267 CC1CCCCN1CCCO[13CH3] 7a_100000213889_200025704644 [0,1,0,1,0,0|1,0,0]=3 26181 B12R1.267 CC1CCCCN1CCNCF 34a_100000739827_100015361967 [0,1,0,1,0,0|2,0,0]=4 26182 B12R1.267 CC1CCCCN1CCOCF 34a_100011305533_100015361967 [0,1,0,1,0,0|2,0,0]=4 26183 B12R1.267 CC1CCNCC1OCCCF 34a_100000696640_100011934791 [0,1,0,1,0,0|2,0,0]=4 26184 B12R1.267 CC1CCNCC1OCCCO 34a_100000696640_100000230001 [0,1,0,1,0,0|1,0,0]=3 26185 B12R1.267 CC1CNCCC1NCCCF 270004a_100015189416_100000703950 [0,1,0,1,0,0|2,0,0]=4 26186 B12R1.267 CC1CNCCC1NCCCO 270004a_100000182051_100000703950 [0,1,0,1,0,0|1,0,0]=3 26187 B12R1.267 CC1CNCCC1OCCCF 34a_100011998114_100011934791 [0,1,0,1,0,0|2,0,0]=4 26188 B12R1.267 CC1CNCCC1OCCCO 34a_100011998114_100000230001 [0,1,0,1,0,0|1,0,0]=3 26189 B12R1.267 CC1COCCC1NCCCF 270004a_100015189416_100000755695 [0,1,0,1,0,0|2,0,0]=4 26190 B12R1.267 CC1COCCC1NCCCO 270004a_100000182051_100000755695 [0,1,0,1,0,0|1,0,0]=3 26191 B12R1.267 CC=CCSC1CCCCC1O 62a_100000038908_100000070051 [0,1,0,1,0,0|0,0,2]=4 26192 B12R1.267 CC=CCSC1CCCCC1O 62a_100000070051_100000038908 [0,1,0,1,0,0|0,0,2]=4 26193 B12R1.267 CCCCCN1CCCCC1C 2230a_100000211376_100000210326 [0,1,0,1,0,0|1,0,0]=3 26194 B12R1.267 CCCCCN1CCCCC1C 269982a_100000211376_100000210215 [0,1,0,1,0,0|1,0,0]=3 26195 B12R1.267 CCCCCN1CCCCC1C 34a_100000211376_100000718602 [0,1,0,1,0,0|1,0,0]=3 26196 B12R1.267 CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210326 [0,1,0,1,0,0|2,0,0]=4 26197 B12R1.267 CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210215 [0,1,0,1,0,0|2,0,0]=4 26198 B12R1.267 CCCCCN1CCOC[C@@H]1C 34a_100009815349_100000718602 [0,1,0,1,0,0|2,0,0]=4 26199 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,1,0,1,0,0|0,0,2]=4 26200 B12R1.267 CCCCNC1CCCCC1C 2230a_100000211402_100000210211 [0,1,0,1,0,0|1,0,0]=3 26201 B12R1.267 CCCCNC1CCCCC1C 269862a_100000102301_100000210921 [0,1,0,1,0,0|1,0,0]=3 26202 B12R1.267 CCCCNC1CCCCC1C 270004a_100000102301_100000210921 [0,1,0,1,0,0|1,0,0]=3 26203 B12R1.267 CCCCNC1CCCCC1C 34a_100000211402_100000210210 [0,1,0,1,0,0|1,0,0]=3 26204 B12R1.267 CCCCNC1CCNCC1C 270004a_100000102301_100000703950 [0,1,0,1,0,0|2,0,0]=4 26205 B12R1.267 CCCCNC1CCOCC1C 270004a_100000102301_100000755695 [0,1,0,1,0,0|2,0,0]=4 26206 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210211 [0,1,0,1,0,0|1,0,0]=3 26207 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210210 [0,1,0,1,0,0|1,0,0]=3 26208 B12R1.267 CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210211 [0,1,0,1,0,0|1,0,0]=3 26209 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210211 [0,1,0,1,0,0|2,0,0]=4 26210 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210210 [0,1,0,1,0,0|2,0,0]=4 26211 B12R1.267 CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210211 [0,1,0,1,0,0|1,0,0]=3 26212 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,1,0,1,0,0|0,0,2]=4 26213 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,1,0,1,0,0|0,0,2]=4 26214 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,1,0,1,0,0|0,0,2]=4 26215 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [0,1,0,1,0,0|1,0,0]=3 26216 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [0,1,0,1,0,0|1,0,0]=3 26217 B12R1.267 CCCCOC1CCCCC1Cl 34a_100000038908_100000210210 [0,1,0,1,0,0|1,0,0]=3 26218 B12R1.267 CCCCOC1CCCCC1Cl 7a_100000038908_100000210211 [0,1,0,1,0,0|1,0,0]=3 26219 B12R1.267 CCCCOC1CCCCC1F 34a_100000210227_100015423560 [0,1,0,1,0,0|1,0,0]=3 26220 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,1,0,1,0,0|0,0,0]=2 26221 B12R1.267 CCCCOC1CCNCC1C 34a_100011998114_100000210210 [0,1,0,1,0,0|2,0,0]=4 26222 B12R1.267 CCCCOC1CNCCC1C 34a_100000696640_100000210210 [0,1,0,1,0,0|2,0,0]=4 26223 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210210 [0,1,0,1,0,0|1,0,0]=3 26224 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210211 [0,1,0,1,0,0|1,0,0]=3 26225 B12R1.267 CCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210210 [0,1,0,1,0,0|2,0,0]=4 26226 B12R1.267 CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210210 [0,1,0,1,0,0|1,0,0]=3 26227 B12R1.267 CCCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210210 [0,1,0,1,0,0|2,0,0]=4 26228 B12R1.267 CCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210210 [0,1,0,1,0,0|2,0,0]=4 26229 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,1,0,1,0,0|0,0,2]=4 26230 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,1,0,1,0,0|0,0,2]=4 26231 B12R1.267 CCCCSC1CCCCC1F 62a_100000210211_100015423560 [0,1,0,1,0,0|1,0,0]=3 26232 B12R1.267 CCCCSC1CCCCC1F 62a_100015423560_100000210210 [0,1,0,1,0,0|1,0,0]=3 26233 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,1,0,1,0,0|0,0,0]=2 26234 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,1,0,1,0,0|0,0,0]=2 26235 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,1,0,1,0,0|0,0,0]=2 26236 B12R1.267 CCCNCC1CCCCN1C 34a_100011228421_100000210303 [0,1,0,1,0,0|2,0,0]=4 26237 B12R1.267 CCCNN=C1CCCCC1O 4a_100000740057_100011214950 [0,1,0,1,0,0|1,0,1]=4 26238 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,1,0,1,0,0|0,0,2]=4 26239 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,1,0,1,0,0|0,0,2]=4 26240 B12R1.267 CCCOCC1CCCCN1C 34a_100000210258_100015186950 [0,1,0,1,0,0|2,0,0]=4 26241 B12R1.267 CCCOCC1CCCCN1C 34a_100000225079_100000210303 [0,1,0,1,0,0|2,0,0]=4 26242 B12R1.267 CCCOCC1COCCC1N 34a_214813039666_100000210303 [0,1,0,1,0,0|2,0,0]=4 26243 B12R1.267 CCCSCC1CCCCN1C 62a_100000210303_100015185383 [0,1,0,1,0,0|2,0,0]=4 26244 B12R1.267 CCCSCC1CCCCN1C 62a_100015185383_100000210303 [0,1,0,1,0,0|2,0,0]=4 26245 B12R1.267 CCNCCC1CCCCN1C 2230a_100015525214_100000211948 [0,1,0,1,0,0|2,0,0]=4 26246 B12R1.267 CCNCCN1CCCCC1C 2230a_100000739827_100000210202 [0,1,0,1,0,0|2,0,0]=4 26247 B12R1.267 CCNCCN1CCCCC1C 34a_100000739827_100000210202 [0,1,0,1,0,0|2,0,0]=4 26248 B12R1.267 CCOCCC1CCCCN1C 34a_100121572206_100000211948 [0,1,0,1,0,0|2,0,0]=4 26249 B12R1.267 CCOCCN1CCCCC1C 2230a_100000211376_100011215890 [0,1,0,1,0,0|2,0,0]=4 26250 B12R1.267 CCOCCN1CCCCC1C 269982a_100000211376_100011215890 [0,1,0,1,0,0|2,0,0]=4 26251 B12R1.267 CCOCCN1CCCCC1C 34a_100000211376_100000210147 [0,1,0,1,0,0|2,0,0]=4 26252 B12R1.267 CCOCCN1CCCCC1C 34a_100011305533_100000210202 [0,1,0,1,0,0|2,0,0]=4 26253 B12R1.267 CCOCSC1CCCCC1F 62a_100000739092_100015423560 [0,1,0,1,0,0|2,0,0]=4 26254 B12R1.267 CCOCSC1CCCCC1F 62a_100015423560_100000739092 [0,1,0,1,0,0|2,0,0]=4 26255 B12R1.267 CCOCSC1CCCCC1O 62a_100000038908_100000739092 [0,1,0,1,0,0|1,0,0]=3 26256 B12R1.267 CCOCSC1CCCCC1O 62a_100000739092_100000038908 [0,1,0,1,0,0|1,0,0]=3 26257 B12R1.267 CCSCCC1CCCCN1C 62a_100000210202_100000211948 [0,1,0,1,0,0|2,0,0]=4 26258 B12R1.267 CCSCCC1CCCCN1C 62a_100000211948_100000210202 [0,1,0,1,0,0|2,0,0]=4 26259 B12R1.267 CCSCCN1CCCCC1C 2230a_100000211376_100000757381 [0,1,0,1,0,0|2,0,0]=4 26260 B12R1.267 CCSCCN1CCCCC1C 269982a_100000211376_100000757381 [0,1,0,1,0,0|2,0,0]=4 26261 B12R1.267 CCSCCN1CCCCC1C 34a_100000211376_100000757381 [0,1,0,1,0,0|2,0,0]=4 26262 B12R1.267 CN1CCCCC1CCSCF 62a_100000211948_100015361967 [0,1,0,1,0,0|2,0,0]=4 26263 B12R1.267 CN1CCCCC1CCSCF 62a_100015361967_100000211948 [0,1,0,1,0,0|2,0,0]=4 26264 B12R1.267 CN1CCCCC1CNCCF 34a_100000724931_100015186950 [0,1,0,1,0,0|2,0,0]=4 26265 B12R1.267 CN1CCCCC1CNCCF 34a_100011228421_100011217306 [0,1,0,1,0,0|2,0,0]=4 26266 B12R1.267 CN1CCCCC1CNCCO 34a_100011228421_100000211926 [0,1,0,1,0,0|1,0,0]=3 26267 B12R1.267 CN1CCCCC1CNCCO 34a_100016990907_100015186950 [0,1,0,1,0,0|1,0,0]=3 26268 B12R1.267 CN1CCCCC1COCCBr 34a_100000211926_100015186950 [0,1,0,1,0,0|2,0,0]=4 26269 B12R1.267 CN1CCCCC1COCCF 34a_100000225079_100011217306 [0,1,0,1,0,0|2,0,0]=4 26270 B12R1.267 CN1CCCCC1COCCN 34a_100000210304_100015186950 [0,1,0,1,0,0|2,0,0]=4 26271 B12R1.267 CN1CCCCC1COCCO 34a_100000225079_100000211926 [0,1,0,1,0,0|1,0,0]=3 26272 B12R1.267 CN1CCCCC1CSCCF 62a_100011217306_100015185383 [0,1,0,1,0,0|2,0,0]=4 26273 B12R1.267 CN1CCCCC1CSCCF 62a_100015185383_100011217306 [0,1,0,1,0,0|2,0,0]=4 26274 B12R1.267 CN1CCCCC1CSCCO 62a_100000211926_100015185383 [0,1,0,1,0,0|1,0,0]=3 26275 B12R1.267 CN1CCCCC1CSCCO 62a_100015185383_100000211926 [0,1,0,1,0,0|1,0,0]=3 26276 B12R1.267 CN1CCOCC1COCCO 34a_100013547906_100000211926 [0,1,0,1,0,0|2,0,0]=4 26277 B12R1.267 CNCCCN1CCCCC1C 34a_100000212276_200000210301 [0,1,0,1,0,0|2,0,0]=4 26278 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [0,1,0,1,0,0|1,0,0]=3 26279 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [0,1,0,1,0,0|1,0,0]=3 26280 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [0,1,0,1,0,0|1,0,0]=3 26281 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [0,1,0,1,0,0|1,0,0]=3 26282 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [0,1,0,1,0,0|1,0,0]=3 26283 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [0,1,0,1,0,0|1,0,0]=3 26284 B12R1.267 COCCCN1CCCCC1C 2230a_100000211376_100000740836 [0,1,0,1,0,0|1,0,0]=3 26285 B12R1.267 COCCCN1CCCCC1C 269982a_100000211376_100000740836 [0,1,0,1,0,0|1,0,0]=3 26286 B12R1.267 COCCCN1CCCCC1C 34a_100000211376_100000740836 [0,1,0,1,0,0|1,0,0]=3 26287 B12R1.267 COCCCN1CCCCC1C 34a_100000213889_200000210301 [0,1,0,1,0,0|1,0,0]=3 26288 B12R1.267 COCCCN1CCCCC1C 7a_100000213889_200000210301 [0,1,0,1,0,0|1,0,0]=3 26289 B12R1.267 COCCCN1CCOC[C@@H]1C 2230a_100009815349_100000740836 [0,1,0,1,0,0|2,0,0]=4 26290 B12R1.267 COCCCN1CCOC[C@@H]1C 269982a_100009815349_100000740836 [0,1,0,1,0,0|2,0,0]=4 26291 B12R1.267 COCCCN1CCOC[C@@H]1C 34a_100009815349_100000740836 [0,1,0,1,0,0|2,0,0]=4 26292 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [0,1,0,1,0,0|1,0,0]=3 26293 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [0,1,0,1,0,0|1,0,0]=3 26294 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [0,1,0,1,0,0|1,0,0]=3 26295 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [0,1,0,1,0,0|1,0,0]=3 26296 B12R1.267 COCCNC1CCNCC1C 270004a_100000209980_100000703950 [0,1,0,1,0,0|2,0,0]=4 26297 B12R1.267 COCCNC1CCOCC1C 270004a_100000209980_100000755695 [0,1,0,1,0,0|2,0,0]=4 26298 B12R1.267 COCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011201679 [0,1,0,1,0,0|2,0,0]=4 26299 B12R1.267 COCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011201679 [0,1,0,1,0,0|2,0,0]=4 26300 B12R1.267 COCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011201679 [0,1,0,1,0,0|2,0,0]=4 26301 B12R1.267 COCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011201679 [0,1,0,1,0,0|2,0,0]=4 26302 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [0,1,0,1,0,0|1,0,0]=3 26303 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [0,1,0,1,0,0|1,0,0]=3 26304 B12R1.267 COCCOC1CCCCC1Cl 34a_100000038908_100011201679 [0,1,0,1,0,0|2,0,0]=4 26305 B12R1.267 COCCOC1CCCCC1Cl 7a_100000038908_100000233755 [0,1,0,1,0,0|2,0,0]=4 26306 B12R1.267 COCCOC1CCCCC1F 34a_100000210237_100015423560 [0,1,0,1,0,0|2,0,0]=4 26307 B12R1.267 COCCOC1CCCCC1O 34a_100000210237_100000038908 [0,1,0,1,0,0|1,0,0]=3 26308 B12R1.267 COCCOC1CCNCC1C 34a_100011998114_100011201679 [0,1,0,1,0,0|2,0,0]=4 26309 B12R1.267 COCCOC1CNCCC1C 34a_100000696640_100011201679 [0,1,0,1,0,0|2,0,0]=4 26310 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011201679 [0,1,0,1,0,0|2,0,0]=4 26311 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000233755 [0,1,0,1,0,0|2,0,0]=4 26312 B12R1.267 COCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011201679 [0,1,0,1,0,0|2,0,0]=4 26313 B12R1.267 COCCSC1CCCCC1F 62a_100000233755_100015423560 [0,1,0,1,0,0|2,0,0]=4 26314 B12R1.267 COCCSC1CCCCC1F 62a_100015423560_100000233755 [0,1,0,1,0,0|2,0,0]=4 26315 B12R1.267 COCCSC1CCCCC1O 62a_100000038908_100000233755 [0,1,0,1,0,0|1,0,0]=3 26316 B12R1.267 COCCSC1CCCCC1O 62a_100000233755_100000038908 [0,1,0,1,0,0|1,0,0]=3 26317 B12R1.267 COCSCC1CCCCN1C 62a_100000766300_100015185383 [0,1,0,1,0,0|2,0,0]=4 26318 B12R1.267 COCSCC1CCCCN1C 62a_100015185383_100000766300 [0,1,0,1,0,0|2,0,0]=4 26319 B12R1.267 CSCCNC1CCCCC1C 2230a_100000211402_100000751147 [0,1,0,1,0,0|1,1,0]=4 26320 B12R1.267 CSCCNC1CCCCC1C 269862a_100020590264_100000210921 [0,1,0,1,0,0|1,1,0]=4 26321 B12R1.267 CSCCNC1CCCCC1C 270004a_100020590264_100000210921 [0,1,0,1,0,0|1,1,0]=4 26322 B12R1.267 CSCCNC1CCCCC1C 34a_100000211402_100000212216 [0,1,0,1,0,0|1,1,0]=4 26323 B12R1.267 CSCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000751147 [0,1,0,1,0,0|2,0,0]=4 26324 B12R1.267 CSCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000212216 [0,1,0,1,0,0|2,0,0]=4 26325 B12R1.267 CSCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000751147 [0,1,0,1,0,0|2,0,0]=4 26326 B12R1.267 CSCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000751147 [0,1,0,1,0,0|2,0,0]=4 26327 B12R1.267 CSCCOC1CCCCC1C 34a_100000211207_100000212216 [0,1,0,1,0,0|1,1,0]=4 26328 B12R1.267 CSCCOC1CCCCC1C 7a_100000211207_100000212216 [0,1,0,1,0,0|1,1,0]=4 26329 B12R1.267 CSCCOC1CCCCC1Cl 34a_100000038908_100000212216 [0,1,0,1,0,0|2,0,0]=4 26330 B12R1.267 CSCCOC1CCCCC1Cl 7a_100000038908_100000212216 [0,1,0,1,0,0|2,0,0]=4 26331 B12R1.267 CSCCOC1CCCCC1F 34a_100000230434_100015423560 [0,1,0,1,0,0|2,0,0]=4 26332 B12R1.267 CSCCOC1CCCCC1O 34a_100000230434_100000038908 [0,1,0,1,0,0|1,0,0]=3 26333 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000212216 [0,1,0,1,0,0|2,0,0]=4 26334 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000212216 [0,1,0,1,0,0|2,0,0]=4 26335 B12R1.267 CSCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000212216 [0,1,0,1,0,0|2,0,0]=4 26336 B12R1.267 CSCCSC1CCCCC1F 62a_100000212216_100015423560 [0,1,0,1,0,0|2,0,0]=4 26337 B12R1.267 CSCCSC1CCCCC1F 62a_100015423560_100000751147 [0,1,0,1,0,0|2,0,0]=4 26338 B12R1.267 CSCCSC1CCCCC1O 62a_100000038908_100000751147 [0,1,0,1,0,0|1,0,0]=3 26339 B12R1.267 CSCCSC1CCCCC1O 62a_100000212216_100000038908 [0,1,0,1,0,0|1,0,0]=3 26340 B12R1.267 CSCNCC1CCCCC1O 34a_100011216029_100011218213 [0,1,0,1,0,0|1,0,0]=3 26341 B12R1.267 C[C@H]1COCCN1CCCCF 2230a_100009815349_100000729493 [0,1,0,1,0,0|2,0,0]=4 26342 B12R1.267 C[C@H]1COCCN1CCCCF 269982a_100009815349_100000729493 [0,1,0,1,0,0|2,0,0]=4 26343 B12R1.267 C[C@H]1COCCN1CCCCF 34a_100009815349_100000729493 [0,1,0,1,0,0|2,0,0]=4 26344 B12R1.267 C[C@H]1COCCN1CCCCO 2230a_100009815349_100000210776 [0,1,0,1,0,0|1,0,0]=3 26345 B12R1.267 C[C@H]1COCCN1CCCCO 269982a_100009815349_100000210776 [0,1,0,1,0,0|1,0,0]=3 26346 B12R1.267 C[C@H]1COCCN1CCCCO 34a_100009815349_100011216708 [0,1,0,1,0,0|1,0,0]=3 26347 B12R1.267 FC1CCCCC1OCCCBr 34a_100011217188_100015423560 [0,1,0,1,0,0|2,0,0]=4 26348 B12R1.267 FC1CCCCC1OCCCCl 34a_100000230001_100015423560 [0,1,0,1,0,0|2,0,0]=4 26349 B12R1.267 FCCCNC1CCCCC1F 34a_100015189416_100015423560 [0,1,0,1,0,0|2,0,0]=4 26350 B12R1.267 FCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011934791 [0,1,0,1,0,0|2,0,0]=4 26351 B12R1.267 FCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011934791 [0,1,0,1,0,0|2,0,0]=4 26352 B12R1.267 FCCCOC1CCCCC1Cl 34a_100000038908_100011934791 [0,1,0,1,0,0|2,0,0]=4 26353 B12R1.267 FCCCOC1CCCCC1Cl 7a_100000038908_100011934791 [0,1,0,1,0,0|2,0,0]=4 26354 B12R1.267 FCCCOC1CCCCC1F 34a_100000759539_100015423560 [0,1,0,1,0,0|2,0,0]=4 26355 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011934791 [0,1,0,1,0,0|2,0,0]=4 26356 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011934791 [0,1,0,1,0,0|2,0,0]=4 26357 B12R1.267 FCCCSC1CCCCC1F 62a_100011934791_100015423560 [0,1,0,1,0,0|2,0,0]=4 26358 B12R1.267 FCCCSC1CCCCC1F 62a_100015423560_100011934791 [0,1,0,1,0,0|2,0,0]=4 26359 B12R1.267 N#CCCSC1CCCCC1O 62a_100000038908_100011215226 [0,1,0,1,0,0|1,0,1]=4 26360 B12R1.267 N#CCCSC1CCCCC1O 62a_100011215226_100000038908 [0,1,0,1,0,0|1,0,1]=4 26361 B12R1.267 NC1CCOCC1COCCO 34a_214813039666_100000211926 [0,1,0,1,0,0|2,0,0]=4 26362 B12R1.267 NCCCOC1CCCCC1F 34a_100000182051_100015423560 [0,1,0,1,0,0|2,0,0]=4 26363 B12R1.267 NCCCOC1CCCCC1O 34a_100000182051_100000038908 [0,1,0,1,0,0|1,0,0]=3 26364 B12R1.267 NOCCOC1CCCCC1F 34a_100000700252_100015423560 [0,1,0,1,0,0|2,0,0]=4 26365 B12R1.267 NOCCOC1CCCCC1O 34a_100000700252_100000038908 [0,1,0,1,0,0|2,0,0]=4 26366 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCF 34a_100015191688_100011934791 [0,1,0,1,0,0|2,0,0]=4 26367 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCO 34a_100015191688_100000230001 [0,1,0,1,0,0|1,0,0]=3 26368 B12R1.267 N[C@@H]1CCOC[C@@H]1OCCCO 34a_100016994285_100000230001 [0,1,0,1,0,0|2,0,0]=4 26369 B12R1.267 N[C@H]1COCC[C@@H]1OCCCO 34a_100015739063_100000230001 [0,1,0,1,0,0|2,0,0]=4 26370 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,1,0,1,0,0|1,0,1]=4 26371 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,1,0,1,0,0|1,0,1]=4 26372 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,1,0,1,0,0|1,0,1]=4 26373 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,1,0,1,0,0|1,0,1]=4 26374 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,1,0,1,0,0|1,0,1]=4 26375 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,1,0,1,0,0|1,0,1]=4 26376 B12R1.267 OC1CCCCC1CNCCF 34a_100011216029_100011217306 [0,1,0,1,0,0|1,0,0]=3 26377 B12R1.267 OC1CCCCC1NCCCF 34a_100015189416_100000038908 [0,1,0,1,0,0|1,0,0]=3 26378 B12R1.267 OC1CCCCC1OCCCBr 34a_100011217188_100000038908 [0,1,0,1,0,0|1,0,0]=3 26379 B12R1.267 OC1CCCCC1OCCCCl 34a_100000230001_100000038908 [0,1,0,1,0,0|1,0,0]=3 26380 B12R1.267 OC1CCCCC1OCCCF 34a_100000759539_100000038908 [0,1,0,1,0,0|1,0,0]=3 26381 B12R1.267 OC1CCCCC1SCCCF 62a_100000038908_100011934791 [0,1,0,1,0,0|1,0,0]=3 26382 B12R1.267 OC1CCCCC1SCCCF 62a_100011934791_100000038908 [0,1,0,1,0,0|1,0,0]=3 26383 B12R1.267 OCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000230001 [0,1,0,1,0,0|1,0,0]=3 26384 B12R1.267 OCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000230001 [0,1,0,1,0,0|1,0,0]=3 26385 B12R1.267 OCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000230001 [0,1,0,1,0,0|2,0,0]=4 26386 B12R1.267 OCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000230001 [0,1,0,1,0,0|2,0,0]=4 26387 B12R1.267 OCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000230001 [0,1,0,1,0,0|2,0,0]=4 26388 B12R1.267 OCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000230001 [0,1,0,1,0,0|2,0,0]=4 26389 B12R1.267 OCCCOC1CCCCC1Cl 34a_100000038908_100000230001 [0,1,0,1,0,0|1,0,0]=3 26390 B12R1.267 OCCCOC1CCCCC1Cl 7a_100000038908_100011215043 [0,1,0,1,0,0|1,0,0]=3 26391 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000230001 [0,1,0,1,0,0|1,0,0]=3 26392 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215043 [0,1,0,1,0,0|1,0,0]=3 26393 B12R1.267 OCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000230001 [0,1,0,1,0,0|2,0,0]=4 26394 B12R1.267 OCCCSC1CCCCC1F 62a_100011215043_100015423560 [0,1,0,1,0,0|1,0,0]=3 26395 B12R1.267 OCCCSC1CCCCC1F 62a_100015423560_100011215043 [0,1,0,1,0,0|1,0,0]=3 26396 B12R1.267 OCCCSC1CCCCC1O 62a_100000038908_100011215043 [0,1,0,1,0,0|1,0,0]=3 26397 B12R1.267 OCCCSC1CCCCC1O 62a_100011215043_100000038908 [0,1,0,1,0,0|1,0,0]=3 26398 B12R1.267 OCCNCC1CCCCC1O 34a_100011216029_100000211926 [0,1,0,1,0,0|1,0,0]=3 26399 B12R1.267 O[C@H]1CCOC[C@@H]1NCCCF 2230a_100015739063_100011934791 [0,1,0,1,0,0|2,0,0]=4 26400 B12R1.267 O[C@H]1COCC[C@H]1NCCCF 2230a_100016994285_100011934791 [0,1,0,1,0,0|2,0,0]=4 26401 B12R1.271 C#CCCCCOCC1CC1C 34a_100000744939_100010269958 [0,1,0,1,0,0|1,0,1]=4 26402 B12R1.271 C#CCCCCOCC1CC1C 7a_100000744939_100010269958 [0,1,0,1,0,0|1,0,1]=4 26403 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,1,0,1,0,0|1,0,1]=4 26404 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,1,0,1,0,0|1,0,1]=4 26405 B12R1.271 CC1CC1COCCCCC#N 7a_100000744939_100000211819 [0,1,0,1,0,0|1,0,1]=4 26406 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,1,0,1,0,0|0,0,2]=4 26407 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [0,1,0,1,0,0|1,0,0]=3 26408 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [0,1,0,1,0,0|1,0,0]=3 26409 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,1,0,1,0,0|0,0,0]=2 26410 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,1,0,1,0,0|0,0,0]=2 26411 B12R1.271 CC1CC1COCCOCCO 34a_100000744939_100000692535 [0,1,0,1,0,0|1,0,0]=3 26412 B12R1.271 CC1CC1COCCOCCO 7a_100000744939_100011215305 [0,1,0,1,0,0|1,0,0]=3 26413 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,1,0,1,0,0|1,0,0]=3 26414 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,1,0,1,0,0|1,0,0]=3 26415 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,1,0,1,0,0|1,0,0]=3 26416 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,1,0,1,0,0|1,0,0]=3 26417 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,1,0,1,0,0|1,0,0]=3 26418 B12R1.271 CCCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000743108 [0,1,0,1,0,0|2,0,0]=4 26419 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000743108 [0,1,0,1,0,0|2,0,0]=4 26420 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000743108 [0,1,0,1,0,0|2,0,0]=4 26421 B12R1.271 CCCCOCOCC1CC1C 34a_100000744939_100011995733 [0,1,0,1,0,0|2,0,0]=4 26422 B12R1.271 CCCOCCOCC1CC1C 34a_100000744939_100011215938 [0,1,0,1,0,0|2,0,0]=4 26423 B12R1.271 CCCOCCOCC1CC1C 7a_100000744939_100011215938 [0,1,0,1,0,0|2,0,0]=4 26424 B12R1.271 CCOCCCOCC1CC1C 34a_100000744939_100012232248 [0,1,0,1,0,0|2,0,0]=4 26425 B12R1.271 CCOCCCOCC1CC1C 7a_100000744939_100012232248 [0,1,0,1,0,0|2,0,0]=4 26426 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [0,1,0,1,0,0|1,0,0]=3 26427 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [0,1,0,1,0,0|1,0,0]=3 26428 B12R1.271 FCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100015922095 [0,1,0,1,0,0|2,0,0]=4 26429 B12R1.271 FCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100015922095 [0,1,0,1,0,0|2,0,0]=4 26430 B12R1.271 FCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100015922095 [0,1,0,1,0,0|2,0,0]=4 26431 B12R1.271 OCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000766143 [0,1,0,1,0,0|1,0,0]=3 26432 B12R1.271 OCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000766143 [0,1,0,1,0,0|1,0,0]=3 26433 B12R1.271 OCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000766143 [0,1,0,1,0,0|1,0,0]=3 26434 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [0,1,0,1,0,0|1,0,0]=3 26435 B12R1.272 BrCCCCCCOC1COC1 34a_100011215345_100009818527 [0,1,0,1,0,0|2,0,0]=4 26436 B12R1.272 BrCCCCCCOC1COC1 7a_100011215345_100009818527 [0,1,0,1,0,0|2,0,0]=4 26437 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [0,1,0,1,0,0|1,0,0]=3 26438 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [0,1,0,1,0,0|1,0,0]=3 26439 B12R1.272 BrCCCCCOCC1CCO1 34a_100000746331_100000103362 [0,1,0,1,0,0|1,0,0]=3 26440 B12R1.272 BrCCCCCOCC1CCO1 7a_100000746331_100000103362 [0,1,0,1,0,0|1,0,0]=3 26441 B12R1.272 BrCCCCCOCC1COC1 34a_100000746331_100010264016 [0,1,0,1,0,0|2,0,0]=4 26442 B12R1.272 BrCCCCCOCC1COC1 7a_100000746331_100010264016 [0,1,0,1,0,0|2,0,0]=4 26443 B12R1.272 BrCCOCCOCC1CCC1 34a_100000692535_100000763275 [0,1,0,1,0,0|2,0,0]=4 26444 B12R1.272 BrCCOCCOCC1CCC1 7a_100000692535_100000763275 [0,1,0,1,0,0|2,0,0]=4 26445 B12R1.272 BrCCOCCOCC1CCO1 34a_100000692535_100000103362 [0,1,0,1,0,0|2,0,0]=4 26446 B12R1.272 BrCCOCCOCC1CCO1 7a_100000692535_100000103362 [0,1,0,1,0,0|2,0,0]=4 26447 B12R1.272 C#CCCCCCCN1CCC1 269982a_100000754969_100012276617 [0,1,0,1,0,0|1,0,1]=4 26448 B12R1.272 C#CCCCCCNC1CCC1 2230a_100000749019_100012094781 [0,1,0,1,0,0|1,0,1]=4 26449 B12R1.272 C#CCCCCCNC1CCC1 34a_100000749019_100012094781 [0,1,0,1,0,0|1,0,1]=4 26450 B12R1.272 C#CCCCCCOC1CCC1 34a_100000748187_100012094781 [0,1,0,1,0,0|1,0,1]=4 26451 B12R1.272 C#CCCCCCOC1CCC1 34a_100000766912_100000749161 [0,1,0,1,0,0|1,0,1]=4 26452 B12R1.272 C#CCCCCCSC1CCC1 62a_100012094781_100000749161 [0,1,0,1,0,0|1,0,1]=4 26453 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000706060_100000763275 [0,1,0,1,0,0|1,0,1]=4 26454 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000738700_100010269958 [0,1,0,1,0,0|1,0,1]=4 26455 B12R1.272 C#CCCCCNCC1CCC1 34a_100000706060_100000763275 [0,1,0,1,0,0|1,0,1]=4 26456 B12R1.272 C#CCCCCNCC1CCC1 34a_100000738700_100010269958 [0,1,0,1,0,0|1,0,1]=4 26457 B12R1.272 C#CCCCCNCC1CCO1 2230a_100000706060_100000103362 [0,1,0,1,0,0|0,0,2]=4 26458 B12R1.272 C#CCCCCNCC1CCO1 34a_100000706060_100000103362 [0,1,0,1,0,0|0,0,2]=4 26459 B12R1.272 C#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100010269958 [0,1,0,1,0,0|0,0,2]=4 26460 B12R1.272 C#CCCCCNC[C@@H]1CCO1 34a_100020831831_100010269958 [0,1,0,1,0,0|0,0,2]=4 26461 B12R1.272 C#CCCCCOCC1CCC1 34a_100000760304_100010269958 [0,1,0,1,0,0|1,0,1]=4 26462 B12R1.272 C#CCCCCOCC1CCC1 34a_100000766709_100000763275 [0,1,0,1,0,0|1,0,1]=4 26463 B12R1.272 C#CCCCCOCC1CCC1 7a_100000766709_100000763275 [0,1,0,1,0,0|1,0,1]=4 26464 B12R1.272 C#CCCCCOCC1CCO1 34a_100000039022_100010269958 [0,1,0,1,0,0|0,0,2]=4 26465 B12R1.272 C#CCCCCOCC1CCO1 34a_100000766709_100000103362 [0,1,0,1,0,0|0,0,2]=4 26466 B12R1.272 C#CCCCCOCC1CCO1 7a_100000766709_100000103362 [0,1,0,1,0,0|0,0,2]=4 26467 B12R1.272 C#CCCCCSCC1CCC1 62a_100000763275_100010269958 [0,1,0,1,0,0|1,0,1]=4 26468 B12R1.272 C#CCCCCSCC1CCC1 62a_100010269958_100000763275 [0,1,0,1,0,0|1,0,1]=4 26469 B12R1.272 C#CCCCCSCC1CCO1 62a_100000103362_100010269958 [0,1,0,1,0,0|0,0,2]=4 26470 B12R1.272 C#CCCCCSCC1CCO1 62a_100010269958_100000103362 [0,1,0,1,0,0|0,0,2]=4 26471 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [0,1,0,1,0,0|1,0,1]=4 26472 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,1,0,1,0,0|1,0,1]=4 26473 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,1,0,1,0,0|1,0,1]=4 26474 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,1,0,1,0,0|1,0,1]=4 26475 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,1,0,1,0,0|1,0,1]=4 26476 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,1,0,1,0,0|1,0,1]=4 26477 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,1,0,1,0,0|1,0,1]=4 26478 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,1,0,1,0,0|1,0,1]=4 26479 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,1,0,1,0,0|1,0,1]=4 26480 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,1,0,1,0,0|1,0,1]=4 26481 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,1,0,1,0,0|1,0,1]=4 26482 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,1,0,1,0,0|0,0,2]=4 26483 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,1,0,1,0,0|0,0,2]=4 26484 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,1,0,1,0,0|0,0,2]=4 26485 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,1,0,1,0,0|0,0,2]=4 26486 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,1,0,1,0,0|1,0,1]=4 26487 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,1,0,1,0,0|1,0,1]=4 26488 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,1,0,1,0,0|1,0,1]=4 26489 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,1,0,1,0,0|0,0,2]=4 26490 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,1,0,1,0,0|0,0,2]=4 26491 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,1,0,1,0,0|0,0,2]=4 26492 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,1,0,1,0,0|1,0,1]=4 26493 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,1,0,1,0,0|1,0,1]=4 26494 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,1,0,1,0,0|0,0,2]=4 26495 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,1,0,1,0,0|0,0,2]=4 26496 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 2230a_100020831831_100015370543 [0,1,0,1,0,0|0,0,2]=4 26497 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 34a_100020831831_100015370543 [0,1,0,1,0,0|0,0,2]=4 26498 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [0,1,0,1,0,0|0,0,2]=4 26499 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [0,1,0,1,0,0|0,0,2]=4 26500 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [0,1,0,1,0,0|0,0,2]=4 26501 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100000103362_100015370543 [0,1,0,1,0,0|0,0,2]=4 26502 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100015370543_100000103362 [0,1,0,1,0,0|0,0,2]=4 26503 B12R1.272 CC=CCCCOCC1CCO1 34a_100020645299_100000103362 [0,1,0,1,0,0|0,0,2]=4 26504 B12R1.272 CCC#CCCOCC1CCO1 34a_100000036655_100000103362 [0,1,0,1,0,0|0,0,2]=4 26505 B12R1.272 CCC#CCCOCC1CCO1 7a_100000036655_100000103362 [0,1,0,1,0,0|0,0,2]=4 26506 B12R1.272 CCC/C=C/COCC1CCO1 34a_100016278788_100000103362 [0,1,0,1,0,0|0,0,2]=4 26507 B12R1.272 CCC/C=C/COCC1CCO1 7a_100016278788_100000103362 [0,1,0,1,0,0|0,0,2]=4 26508 B12R1.272 CCCC#CCOCC1CCO1 34a_100000034806_100000103362 [0,1,0,1,0,0|0,0,2]=4 26509 B12R1.272 CCCC#CCOCC1CCO1 7a_100000034806_100000103362 [0,1,0,1,0,0|0,0,2]=4 26510 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,1,0,1,0,0|1,0,0]=3 26511 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,1,0,1,0,0|1,0,0]=3 26512 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,1,0,1,0,0|1,0,0]=3 26513 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,1,0,1,0,0|1,0,0]=3 26514 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,1,0,1,0,0|1,0,0]=3 26515 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,1,0,1,0,0|1,0,0]=3 26516 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,1,0,1,0,0|1,0,0]=3 26517 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,1,0,1,0,0|1,0,0]=3 26518 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,1,0,1,0,0|1,0,0]=3 26519 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,1,0,1,0,0|1,1,0]=4 26520 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,1,0,1,0,0|1,0,0]=3 26521 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,1,0,1,0,0|1,0,0]=3 26522 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,1,0,1,0,0|1,0,0]=3 26523 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,1,0,1,0,0|1,0,0]=3 26524 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,1,0,1,0,0|1,0,0]=3 26525 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,1,0,1,0,0|1,0,0]=3 26526 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,1,0,1,0,0|0,0,0]=2 26527 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [0,1,0,1,0,0|1,0,0]=3 26528 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [0,1,0,1,0,0|1,0,0]=3 26529 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [0,1,0,1,0,0|1,0,0]=3 26530 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,1,0,1,0,0|0,0,0]=2 26531 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,1,0,1,0,0|0,0,0]=2 26532 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,1,0,1,0,0|1,0,0]=3 26533 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,1,0,1,0,0|1,0,0]=3 26534 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,1,0,1,0,0|1,0,0]=3 26535 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,1,0,1,0,0|0,0,0]=2 26536 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,1,0,1,0,0|0,0,0]=2 26537 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,1,0,1,0,0|0,0,0]=2 26538 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [0,1,0,1,0,0|2,0,0]=4 26539 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [0,1,0,1,0,0|1,0,0]=3 26540 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [0,1,0,1,0,0|1,0,0]=3 26541 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [0,1,0,1,0,0|1,0,0]=3 26542 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,1,0,1,0,0|1,0,0]=3 26543 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,1,0,1,0,0|1,0,0]=3 26544 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,1,0,1,0,0|0,0,0]=2 26545 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,1,0,1,0,0|0,0,0]=2 26546 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [0,1,0,1,0,0|1,0,0]=3 26547 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [0,1,0,1,0,0|1,0,0]=3 26548 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [0,1,0,1,0,0|1,0,0]=3 26549 B12R1.272 CCCCOCCNC1CCC1 2230a_100000749019_100000743108 [0,1,0,1,0,0|2,0,0]=4 26550 B12R1.272 CCCCOCCNC1CCC1 34a_100000749019_100000743108 [0,1,0,1,0,0|2,0,0]=4 26551 B12R1.272 CCCCOCCNC1COC1 2230a_100016991112_100000743108 [0,1,0,1,0,0|2,0,0]=4 26552 B12R1.272 CCCCOCCOC1CCC1 34a_100000210238_100000749161 [0,1,0,1,0,0|2,0,0]=4 26553 B12R1.272 CCCCOCCOC1CCC1 34a_100000748187_100000743108 [0,1,0,1,0,0|2,0,0]=4 26554 B12R1.272 CCCCOCCOC1COC1 34a_100000210238_100009818527 [0,1,0,1,0,0|2,0,0]=4 26555 B12R1.272 CCCCOCCOC1COC1 7a_100000210238_100009818527 [0,1,0,1,0,0|2,0,0]=4 26556 B12R1.272 CCCCOCCSC1CCC1 62a_100000743108_100000749161 [0,1,0,1,0,0|2,0,0]=4 26557 B12R1.272 CCCCOCCSC1COC1 62a_100000743108_100009818527 [0,1,0,1,0,0|2,0,0]=4 26558 B12R1.272 CCCCOCNCC1CCC1 2230a_100000738700_100011995733 [0,1,0,1,0,0|2,0,0]=4 26559 B12R1.272 CCCCOCNCC1CCC1 34a_100000738700_100011995733 [0,1,0,1,0,0|2,0,0]=4 26560 B12R1.272 CCCCOCNCC1COC1 2230a_100015281925_100011995733 [0,1,0,1,0,0|2,0,0]=4 26561 B12R1.272 CCCCOCNCC1COC1 34a_100015281925_100011995733 [0,1,0,1,0,0|2,0,0]=4 26562 B12R1.272 CCCCOCNC[C@@H]1CCO1 2230a_100020831831_100011995733 [0,1,0,1,0,0|1,0,0]=3 26563 B12R1.272 CCCCOCNC[C@@H]1CCO1 34a_100020831831_100011995733 [0,1,0,1,0,0|1,0,0]=3 26564 B12R1.272 CCCCOCOCC1CCC1 34a_100000760304_100011995733 [0,1,0,1,0,0|2,0,0]=4 26565 B12R1.272 CCCCOCOCC1CCO1 34a_100000039022_100011995733 [0,1,0,1,0,0|1,0,0]=3 26566 B12R1.272 CCCCOCOCC1COC1 34a_100000060846_100011995733 [0,1,0,1,0,0|2,0,0]=4 26567 B12R1.272 CCCCOCSCC1CCC1 62a_100000763275_100011995733 [0,1,0,1,0,0|2,0,0]=4 26568 B12R1.272 CCCCOCSCC1CCC1 62a_100011995733_100000763275 [0,1,0,1,0,0|2,0,0]=4 26569 B12R1.272 CCCCOCSCC1CCO1 62a_100000103362_100011995733 [0,1,0,1,0,0|1,0,0]=3 26570 B12R1.272 CCCCOCSCC1CCO1 62a_100011995733_100000103362 [0,1,0,1,0,0|1,0,0]=3 26571 B12R1.272 CCCCOCSCC1COC1 62a_100010264016_100011995733 [0,1,0,1,0,0|2,0,0]=4 26572 B12R1.272 CCCCOCSCC1COC1 62a_100011995733_100010264016 [0,1,0,1,0,0|2,0,0]=4 26573 B12R1.272 CCCCSCCNC1CCC1 270004a_100025743550_100000241760 [0,1,0,1,0,0|2,0,0]=4 26574 B12R1.272 CCCCSCCOC1CCC1 34a_200000230436_100000749161 [0,1,0,1,0,0|2,0,0]=4 26575 B12R1.272 CCCCSCCOC1COC1 34a_200000230436_100009818527 [0,1,0,1,0,0|2,0,0]=4 26576 B12R1.272 CCCCSCCOC1COC1 7a_200000230436_100009818527 [0,1,0,1,0,0|2,0,0]=4 26577 B12R1.272 CCCOCCCNC1CCC1 270004a_100011217757_100000241760 [0,1,0,1,0,0|2,0,0]=4 26578 B12R1.272 CCCOCCCNC1CCC1 34a_100011217757_100000749161 [0,1,0,1,0,0|2,0,0]=4 26579 B12R1.272 CCCOCCCNC1COC1 34a_100011217757_100009818527 [0,1,0,1,0,0|2,0,0]=4 26580 B12R1.272 CCCOCCNCC1CCC1 2230a_100000738700_100011215938 [0,1,0,1,0,0|2,0,0]=4 26581 B12R1.272 CCCOCCNCC1CCC1 2230a_100161115042_100000763275 [0,1,0,1,0,0|2,0,0]=4 26582 B12R1.272 CCCOCCNCC1CCC1 269862a_100161115042_100000753134 [0,1,0,1,0,0|2,0,0]=4 26583 B12R1.272 CCCOCCNCC1CCC1 34a_100000738700_100011215938 [0,1,0,1,0,0|2,0,0]=4 26584 B12R1.272 CCCOCCNCC1CCC1 34a_100161115042_100000763275 [0,1,0,1,0,0|2,0,0]=4 26585 B12R1.272 CCCOCCNCC1CCO1 2230a_100161115042_100000103362 [0,1,0,1,0,0|1,0,0]=3 26586 B12R1.272 CCCOCCNCC1CCO1 34a_100161115042_100000103362 [0,1,0,1,0,0|1,0,0]=3 26587 B12R1.272 CCCOCCNCC1COC1 2230a_100015281925_100011215938 [0,1,0,1,0,0|2,0,0]=4 26588 B12R1.272 CCCOCCNCC1COC1 2230a_100161115042_100010264016 [0,1,0,1,0,0|2,0,0]=4 26589 B12R1.272 CCCOCCNCC1COC1 34a_100015281925_100011215938 [0,1,0,1,0,0|2,0,0]=4 26590 B12R1.272 CCCOCCNCC1COC1 34a_100161115042_100010264016 [0,1,0,1,0,0|2,0,0]=4 26591 B12R1.272 CCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215938 [0,1,0,1,0,0|1,0,0]=3 26592 B12R1.272 CCCOCCNC[C@@H]1CCO1 34a_100020831831_100011215938 [0,1,0,1,0,0|1,0,0]=3 26593 B12R1.272 CCCOCCOCC1CCC1 34a_100000752267_100000763275 [0,1,0,1,0,0|2,0,0]=4 26594 B12R1.272 CCCOCCOCC1CCC1 34a_100000760304_100011215938 [0,1,0,1,0,0|2,0,0]=4 26595 B12R1.272 CCCOCCOCC1CCC1 7a_100000752267_100000763275 [0,1,0,1,0,0|2,0,0]=4 26596 B12R1.272 CCCOCCOCC1CCO1 34a_100000039022_100011215938 [0,1,0,1,0,0|1,0,0]=3 26597 B12R1.272 CCCOCCOCC1CCO1 34a_100000752267_100000103362 [0,1,0,1,0,0|1,0,0]=3 26598 B12R1.272 CCCOCCOCC1CCO1 7a_100000752267_100000103362 [0,1,0,1,0,0|1,0,0]=3 26599 B12R1.272 CCCOCCOCC1COC1 34a_100000060846_100011215938 [0,1,0,1,0,0|2,0,0]=4 26600 B12R1.272 CCCOCCOCC1COC1 34a_100000752267_100010264016 [0,1,0,1,0,0|2,0,0]=4 26601 B12R1.272 CCCOCCOCC1COC1 7a_100000752267_100010264016 [0,1,0,1,0,0|2,0,0]=4 26602 B12R1.272 CCCOCCSCC1CCC1 62a_100000763275_100011215938 [0,1,0,1,0,0|2,0,0]=4 26603 B12R1.272 CCCOCCSCC1CCC1 62a_100011215938_100000763275 [0,1,0,1,0,0|2,0,0]=4 26604 B12R1.272 CCCOCCSCC1CCO1 62a_100000103362_100011215938 [0,1,0,1,0,0|1,0,0]=3 26605 B12R1.272 CCCOCCSCC1CCO1 62a_100011215938_100000103362 [0,1,0,1,0,0|1,0,0]=3 26606 B12R1.272 CCCOCCSCC1COC1 62a_100010264016_100011215938 [0,1,0,1,0,0|2,0,0]=4 26607 B12R1.272 CCCOCCSCC1COC1 62a_100011215938_100010264016 [0,1,0,1,0,0|2,0,0]=4 26608 B12R1.272 CCCSCCNCC1CCC1 2230a_100020603323_100000763275 [0,1,0,1,0,0|2,0,0]=4 26609 B12R1.272 CCCSCCNCC1CCC1 269862a_100020603323_100000753134 [0,1,0,1,0,0|2,0,0]=4 26610 B12R1.272 CCCSCCNCC1CCO1 2230a_100020603323_100000103362 [0,1,0,1,0,0|1,0,0]=3 26611 B12R1.272 CCCSCCNCC1COC1 2230a_100020603323_100010264016 [0,1,0,1,0,0|2,0,0]=4 26612 B12R1.272 CCCSCCOCC1CCC1 34a_200000230433_100000763275 [0,1,0,1,0,0|2,0,0]=4 26613 B12R1.272 CCCSCCOCC1CCC1 7a_200000230433_100000763275 [0,1,0,1,0,0|2,0,0]=4 26614 B12R1.272 CCCSCCOCC1CCO1 34a_200000230433_100000103362 [0,1,0,1,0,0|1,0,0]=3 26615 B12R1.272 CCCSCCOCC1CCO1 7a_200000230433_100000103362 [0,1,0,1,0,0|1,0,0]=3 26616 B12R1.272 CCCSCCOCC1COC1 34a_200000230433_100010264016 [0,1,0,1,0,0|2,0,0]=4 26617 B12R1.272 CCCSCCOCC1COC1 7a_200000230433_100010264016 [0,1,0,1,0,0|2,0,0]=4 26618 B12R1.272 CCOCCCNCC1CCC1 2230a_100000210961_100000763275 [0,1,0,1,0,0|2,0,0]=4 26619 B12R1.272 CCOCCCNCC1CCC1 2230a_100000738700_100012232248 [0,1,0,1,0,0|2,0,0]=4 26620 B12R1.272 CCOCCCNCC1CCC1 269862a_100000210961_100000753134 [0,1,0,1,0,0|2,0,0]=4 26621 B12R1.272 CCOCCCNCC1CCC1 34a_100000210961_100000763275 [0,1,0,1,0,0|2,0,0]=4 26622 B12R1.272 CCOCCCNCC1CCC1 34a_100000738700_100012232248 [0,1,0,1,0,0|2,0,0]=4 26623 B12R1.272 CCOCCCNCC1CCO1 2230a_100000210961_100000103362 [0,1,0,1,0,0|1,0,0]=3 26624 B12R1.272 CCOCCCNCC1CCO1 34a_100000210961_100000103362 [0,1,0,1,0,0|1,0,0]=3 26625 B12R1.272 CCOCCCNCC1COC1 2230a_100000210961_100010264016 [0,1,0,1,0,0|2,0,0]=4 26626 B12R1.272 CCOCCCNCC1COC1 2230a_100015281925_100012232248 [0,1,0,1,0,0|2,0,0]=4 26627 B12R1.272 CCOCCCNCC1COC1 34a_100000210961_100010264016 [0,1,0,1,0,0|2,0,0]=4 26628 B12R1.272 CCOCCCNCC1COC1 34a_100015281925_100012232248 [0,1,0,1,0,0|2,0,0]=4 26629 B12R1.272 CCOCCCNC[C@@H]1CCO1 2230a_100020831831_100012232248 [0,1,0,1,0,0|1,0,0]=3 26630 B12R1.272 CCOCCCNC[C@@H]1CCO1 34a_100020831831_100012232248 [0,1,0,1,0,0|1,0,0]=3 26631 B12R1.272 CCOCCCOCC1CCC1 34a_100000757476_100000763275 [0,1,0,1,0,0|2,0,0]=4 26632 B12R1.272 CCOCCCOCC1CCC1 34a_100000760304_100012232248 [0,1,0,1,0,0|2,0,0]=4 26633 B12R1.272 CCOCCCOCC1CCC1 7a_100000757476_100000763275 [0,1,0,1,0,0|2,0,0]=4 26634 B12R1.272 CCOCCCOCC1CCO1 34a_100000039022_100012232248 [0,1,0,1,0,0|1,0,0]=3 26635 B12R1.272 CCOCCCOCC1CCO1 34a_100000757476_100000103362 [0,1,0,1,0,0|1,0,0]=3 26636 B12R1.272 CCOCCCOCC1CCO1 7a_100000757476_100000103362 [0,1,0,1,0,0|1,0,0]=3 26637 B12R1.272 CCOCCCOCC1COC1 34a_100000060846_100012232248 [0,1,0,1,0,0|2,0,0]=4 26638 B12R1.272 CCOCCCOCC1COC1 34a_100000757476_100010264016 [0,1,0,1,0,0|2,0,0]=4 26639 B12R1.272 CCOCCCOCC1COC1 7a_100000757476_100010264016 [0,1,0,1,0,0|2,0,0]=4 26640 B12R1.272 CCOCCCSCC1CCC1 62a_100000763275_100012232248 [0,1,0,1,0,0|2,0,0]=4 26641 B12R1.272 CCOCCCSCC1CCC1 62a_100012232248_100000763275 [0,1,0,1,0,0|2,0,0]=4 26642 B12R1.272 CCOCCCSCC1CCO1 62a_100000103362_100012232248 [0,1,0,1,0,0|1,0,0]=3 26643 B12R1.272 CCOCCCSCC1CCO1 62a_100012232248_100000103362 [0,1,0,1,0,0|1,0,0]=3 26644 B12R1.272 CCOCCCSCC1COC1 62a_100010264016_100012232248 [0,1,0,1,0,0|2,0,0]=4 26645 B12R1.272 CCOCCCSCC1COC1 62a_100012232248_100010264016 [0,1,0,1,0,0|2,0,0]=4 26646 B12R1.272 CCOCCOCCC1COC1 34a_100009855314_100000210147 [0,1,0,1,0,0|2,0,0]=4 26647 B12R1.272 CCSCCCOCC1CCC1 34a_100011216438_100000763275 [0,1,0,1,0,0|2,0,0]=4 26648 B12R1.272 CCSCCCOCC1CCC1 7a_100011216438_100000763275 [0,1,0,1,0,0|2,0,0]=4 26649 B12R1.272 CCSCCCOCC1CCO1 34a_100011216438_100000103362 [0,1,0,1,0,0|1,0,0]=3 26650 B12R1.272 CCSCCCOCC1CCO1 7a_100011216438_100000103362 [0,1,0,1,0,0|1,0,0]=3 26651 B12R1.272 CCSCCCOCC1COC1 34a_100011216438_100010264016 [0,1,0,1,0,0|2,0,0]=4 26652 B12R1.272 CCSCCCOCC1COC1 7a_100011216438_100010264016 [0,1,0,1,0,0|2,0,0]=4 26653 B12R1.272 CCSCCOCCC1COC1 34a_100009855314_100000757381 [0,1,0,1,0,0|2,0,0]=4 26654 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,1,0,1,0,0|2,0,0]=4 26655 B12R1.272 CNCCCCCOC1COC1 34a_100000722520_100009818527 [0,1,0,1,0,0|2,0,0]=4 26656 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,1,0,1,0,0|1,0,0]=3 26657 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,1,0,1,0,0|1,0,0]=3 26658 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,1,0,1,0,0|1,0,0]=3 26659 B12R1.272 COCCCCCNC1COC1 34a_100000747528_100009818527 [0,1,0,1,0,0|2,0,0]=4 26660 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [0,1,0,1,0,0|1,0,0]=3 26661 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [0,1,0,1,0,0|1,0,0]=3 26662 B12R1.272 COCCCCNCC1COC1 2230a_100015281925_100000730899 [0,1,0,1,0,0|2,0,0]=4 26663 B12R1.272 COCCCCNCC1COC1 34a_100015281925_100000755781 [0,1,0,1,0,0|2,0,0]=4 26664 B12R1.272 COCCCCNC[C@@H]1CCO1 2230a_100020831831_100000730899 [0,1,0,1,0,0|1,0,0]=3 26665 B12R1.272 COCCCCNC[C@@H]1CCO1 34a_100020831831_100000755781 [0,1,0,1,0,0|1,0,0]=3 26666 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [0,1,0,1,0,0|1,0,0]=3 26667 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [0,1,0,1,0,0|1,0,0]=3 26668 B12R1.272 COCCCCOCC1CCO1 34a_100000039022_100000755781 [0,1,0,1,0,0|1,0,0]=3 26669 B12R1.272 COCCCCOCC1CCO1 34a_100000740925_100000103362 [0,1,0,1,0,0|1,0,0]=3 26670 B12R1.272 COCCCCOCC1CNC1 34a_100016987283_100000755781 [0,1,0,1,0,0|2,0,0]=4 26671 B12R1.272 COCCCCOCC1COC1 34a_100000060846_100000755781 [0,1,0,1,0,0|2,0,0]=4 26672 B12R1.272 COCCCCOCC1COC1 34a_100000740925_100010264016 [0,1,0,1,0,0|2,0,0]=4 26673 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [0,1,0,1,0,0|1,0,0]=3 26674 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [0,1,0,1,0,0|1,0,0]=3 26675 B12R1.272 COCCCCSCC1CCO1 62a_100000103362_100000730899 [0,1,0,1,0,0|1,0,0]=3 26676 B12R1.272 COCCCCSCC1CCO1 62a_100000730899_100000103362 [0,1,0,1,0,0|1,0,0]=3 26677 B12R1.272 COCCCCSCC1COC1 62a_100000730899_100010264016 [0,1,0,1,0,0|2,0,0]=4 26678 B12R1.272 COCCCCSCC1COC1 62a_100010264016_100000730899 [0,1,0,1,0,0|2,0,0]=4 26679 B12R1.272 COCCCOCCC1COC1 34a_100009855314_100000740836 [0,1,0,1,0,0|2,0,0]=4 26680 B12R1.272 COCCOCCCN1CCC1 269982a_100000754969_100011216529 [0,1,0,1,0,0|2,0,0]=4 26681 B12R1.272 COCCOCCNC1CCC1 2230a_100000749019_100000695917 [0,1,0,1,0,0|2,0,0]=4 26682 B12R1.272 COCCOCCNC1CCC1 270004a_100000745349_100000241760 [0,1,0,1,0,0|2,0,0]=4 26683 B12R1.272 COCCOCCNC1CCC1 34a_100000745349_100000749161 [0,1,0,1,0,0|2,0,0]=4 26684 B12R1.272 COCCOCCNC1CCC1 34a_100000749019_100000695917 [0,1,0,1,0,0|2,0,0]=4 26685 B12R1.272 COCCOCCOC1CCC1 34a_100000748187_100000695917 [0,1,0,1,0,0|2,0,0]=4 26686 B12R1.272 COCCOCCOC1CCC1 34a_100011215163_100000749161 [0,1,0,1,0,0|2,0,0]=4 26687 B12R1.272 COCCOCCSC1CCC1 62a_100000695917_100000749161 [0,1,0,1,0,0|2,0,0]=4 26688 B12R1.272 COCCOCNCC1CCC1 2230a_100000738700_100000231047 [0,1,0,1,0,0|2,0,0]=4 26689 B12R1.272 COCCOCNC[C@@H]1CCO1 2230a_100020831831_100000231047 [0,1,0,1,0,0|2,0,0]=4 26690 B12R1.272 COCCOCSCC1CCC1 62a_100000231047_100000763275 [0,1,0,1,0,0|2,0,0]=4 26691 B12R1.272 COCCOCSCC1CCC1 62a_100000763275_100000231047 [0,1,0,1,0,0|2,0,0]=4 26692 B12R1.272 COCCOCSCC1CCO1 62a_100000103362_100000231047 [0,1,0,1,0,0|2,0,0]=4 26693 B12R1.272 COCCOCSCC1CCO1 62a_100000231047_100000103362 [0,1,0,1,0,0|2,0,0]=4 26694 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [0,1,0,1,0,0|1,1,0]=4 26695 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [0,1,0,1,0,0|1,1,0]=4 26696 B12R1.272 CSCCCCOCC1CCO1 34a_100011217163_100000103362 [0,1,0,1,0,0|1,0,0]=3 26697 B12R1.272 CSCCCCOCC1CCO1 7a_100011217163_100000103362 [0,1,0,1,0,0|1,0,0]=3 26698 B12R1.272 CSCCCCOCC1COC1 34a_100011217163_100010264016 [0,1,0,1,0,0|2,0,0]=4 26699 B12R1.272 CSCCCCOCC1COC1 7a_100011217163_100010264016 [0,1,0,1,0,0|2,0,0]=4 26700 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [0,1,0,1,0,0|1,0,0]=3 26701 B12R1.272 ClCCCCCCOC1COC1 34a_100000766143_100009818527 [0,1,0,1,0,0|2,0,0]=4 26702 B12R1.272 ClCCCCCCOC1COC1 7a_100000766143_100009818527 [0,1,0,1,0,0|2,0,0]=4 26703 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [0,1,0,1,0,0|1,0,0]=3 26704 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [0,1,0,1,0,0|1,0,0]=3 26705 B12R1.272 ClCCCCCOCC1CCO1 34a_100000746330_100000103362 [0,1,0,1,0,0|1,0,0]=3 26706 B12R1.272 ClCCCCCOCC1CCO1 7a_100000746330_100000103362 [0,1,0,1,0,0|1,0,0]=3 26707 B12R1.272 ClCCCCCOCC1COC1 34a_100000746330_100010264016 [0,1,0,1,0,0|2,0,0]=4 26708 B12R1.272 ClCCCCCOCC1COC1 7a_100000746330_100010264016 [0,1,0,1,0,0|2,0,0]=4 26709 B12R1.272 ClCCOCCOCC1CCC1 34a_100011215305_100000763275 [0,1,0,1,0,0|2,0,0]=4 26710 B12R1.272 ClCCOCCOCC1CCC1 7a_100011215305_100000763275 [0,1,0,1,0,0|2,0,0]=4 26711 B12R1.272 ClCCOCCOCC1CCO1 34a_100011215305_100000103362 [0,1,0,1,0,0|2,0,0]=4 26712 B12R1.272 ClCCOCCOCC1CCO1 7a_100011215305_100000103362 [0,1,0,1,0,0|2,0,0]=4 26713 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [0,1,0,1,0,0|1,0,0]=3 26714 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [0,1,0,1,0,0|1,0,0]=3 26715 B12R1.272 FCCCCCCNC1COC1 2230a_100016991112_100015922095 [0,1,0,1,0,0|2,0,0]=4 26716 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [0,1,0,1,0,0|1,0,0]=3 26717 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [0,1,0,1,0,0|1,0,0]=3 26718 B12R1.272 FCCCCCCOC1COC1 34a_100000732779_100009818527 [0,1,0,1,0,0|2,0,0]=4 26719 B12R1.272 FCCCCCCOC1COC1 7a_100000732779_100009818527 [0,1,0,1,0,0|2,0,0]=4 26720 B12R1.272 FCCCCCCOC1CSC1 7a_100000072292_100015922095 [0,1,0,1,0,0|2,0,0]=4 26721 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [0,1,0,1,0,0|1,0,0]=3 26722 B12R1.272 FCCCCCCSC1COC1 62a_100015922095_100009818527 [0,1,0,1,0,0|2,0,0]=4 26723 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [0,1,0,1,0,0|1,0,0]=3 26724 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [0,1,0,1,0,0|1,0,0]=3 26725 B12R1.272 FCCCCCNCC1COC1 2230a_100015281925_100000729378 [0,1,0,1,0,0|2,0,0]=4 26726 B12R1.272 FCCCCCNCC1COC1 34a_100015281925_100000729378 [0,1,0,1,0,0|2,0,0]=4 26727 B12R1.272 FCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729378 [0,1,0,1,0,0|1,0,0]=3 26728 B12R1.272 FCCCCCNC[C@@H]1CCO1 34a_100020831831_100000729378 [0,1,0,1,0,0|1,0,0]=3 26729 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [0,1,0,1,0,0|1,0,0]=3 26730 B12R1.272 FCCCCCOCC1CCO1 34a_100000039022_100000729378 [0,1,0,1,0,0|1,0,0]=3 26731 B12R1.272 FCCCCCOCC1CNC1 34a_100016987283_100000729378 [0,1,0,1,0,0|2,0,0]=4 26732 B12R1.272 FCCCCCOCC1COC1 34a_100000060846_100000729378 [0,1,0,1,0,0|2,0,0]=4 26733 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [0,1,0,1,0,0|1,0,0]=3 26734 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [0,1,0,1,0,0|1,0,0]=3 26735 B12R1.272 FCCCCCSCC1CCO1 62a_100000103362_100000729378 [0,1,0,1,0,0|1,0,0]=3 26736 B12R1.272 FCCCCCSCC1CCO1 62a_100000729378_100000103362 [0,1,0,1,0,0|1,0,0]=3 26737 B12R1.272 FCCCCCSCC1COC1 62a_100000729378_100010264016 [0,1,0,1,0,0|2,0,0]=4 26738 B12R1.272 FCCCCCSCC1COC1 62a_100010264016_100000729378 [0,1,0,1,0,0|2,0,0]=4 26739 B12R1.272 FCCCCOCCC1COC1 34a_100009855314_100000729493 [0,1,0,1,0,0|2,0,0]=4 26740 B12R1.272 FCCOCCOCC1CCC1 34a_200015357709_100000763275 [0,1,0,1,0,0|2,0,0]=4 26741 B12R1.272 FCCOCCOCC1CCC1 7a_200015357709_100000763275 [0,1,0,1,0,0|2,0,0]=4 26742 B12R1.272 FCCOCCOCC1CCO1 34a_200015357709_100000103362 [0,1,0,1,0,0|2,0,0]=4 26743 B12R1.272 FCCOCCOCC1CCO1 7a_200015357709_100000103362 [0,1,0,1,0,0|2,0,0]=4 26744 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [0,1,0,1,0,0|1,0,0]=3 26745 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [0,1,0,1,0,0|1,0,0]=3 26746 B12R1.272 ICCCCCOCC1CCO1 34a_200012148887_100000103362 [0,1,0,1,0,0|1,0,0]=3 26747 B12R1.272 ICCCCCOCC1CCO1 7a_200012148887_100000103362 [0,1,0,1,0,0|1,0,0]=3 26748 B12R1.272 ICCCCCOCC1COC1 34a_200012148887_100010264016 [0,1,0,1,0,0|2,0,0]=4 26749 B12R1.272 ICCCCCOCC1COC1 7a_200012148887_100010264016 [0,1,0,1,0,0|2,0,0]=4 26750 B12R1.272 ICCOCCOCC1CCC1 34a_100012149058_100000763275 [0,1,0,1,0,0|2,0,0]=4 26751 B12R1.272 ICCOCCOCC1CCC1 7a_100012149058_100000763275 [0,1,0,1,0,0|2,0,0]=4 26752 B12R1.272 ICCOCCOCC1CCO1 34a_100012149058_100000103362 [0,1,0,1,0,0|2,0,0]=4 26753 B12R1.272 ICCOCCOCC1CCO1 7a_100012149058_100000103362 [0,1,0,1,0,0|2,0,0]=4 26754 B12R1.272 N#CCCCCCCN1CCC1 269982a_100000754969_100009813337 [0,1,0,1,0,0|1,0,1]=4 26755 B12R1.272 N#CCCCCCNC1CCC1 2230a_100000749019_100009813376 [0,1,0,1,0,0|1,0,1]=4 26756 B12R1.272 N#CCCCCCNC1CCC1 270004a_100000061152_100000241760 [0,1,0,1,0,0|1,0,1]=4 26757 B12R1.272 N#CCCCCCSC1CCC1 62a_100009813376_100000749161 [0,1,0,1,0,0|1,0,1]=4 26758 B12R1.272 N#CCCCCNCC1CCC1 2230a_100000738700_100000211819 [0,1,0,1,0,0|1,0,1]=4 26759 B12R1.272 N#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000211819 [0,1,0,1,0,0|1,0,1]=4 26760 B12R1.272 N#CCCCCSCC1CCC1 62a_100000763275_100000211819 [0,1,0,1,0,0|1,0,1]=4 26761 B12R1.272 N#CCCCCSCC1CCC1 62a_100011219923_100000763275 [0,1,0,1,0,0|1,0,1]=4 26762 B12R1.272 N#CCCCCSCC1CCO1 62a_100000103362_100000211819 [0,1,0,1,0,0|1,0,1]=4 26763 B12R1.272 N#CCCCCSCC1CCO1 62a_100011219923_100000103362 [0,1,0,1,0,0|1,0,1]=4 26764 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [0,1,0,1,0,0|1,0,0]=3 26765 B12R1.272 NCCCCCCOC1COC1 34a_100000686447_100009818527 [0,1,0,1,0,0|2,0,0]=4 26766 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [0,1,0,1,0,0|1,0,0]=3 26767 B12R1.272 NCCCCCOCC1CCO1 34a_100000762737_100000103362 [0,1,0,1,0,0|1,0,0]=3 26768 B12R1.272 NCCCCCOCC1COC1 34a_100000762737_100010264016 [0,1,0,1,0,0|2,0,0]=4 26769 B12R1.272 NCCOCCOCC1CCC1 34a_100000211614_100000763275 [0,1,0,1,0,0|2,0,0]=4 26770 B12R1.272 NCCOCCOCC1CCO1 34a_100000211614_100000103362 [0,1,0,1,0,0|2,0,0]=4 26771 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,1,0,1,0,0|0,0,2]=4 26772 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,1,0,1,0,0|0,0,2]=4 26773 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,1,0,1,0,0|0,0,2]=4 26774 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,1,0,1,0,0|1,0,1]=4 26775 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,1,0,1,0,0|0,0,2]=4 26776 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,1,0,1,0,0|0,0,2]=4 26777 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,1,0,1,0,0|1,0,1]=4 26778 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,1,0,1,0,0|1,0,1]=4 26779 B12R1.272 OCCCCC=NNC1CCC1 4a_100000736358_100000031955 [0,1,0,1,0,0|1,0,1]=4 26780 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,1,0,1,0,0|0,0,0]=2 26781 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,1,0,1,0,0|0,0,0]=2 26782 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,1,0,1,0,0|0,0,0]=2 26783 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,1,0,1,0,0|0,0,0]=2 26784 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,1,0,1,0,0|0,0,0]=2 26785 B12R1.272 OCCCCCCNC1COC1 2230a_100016991112_100000766143 [0,1,0,1,0,0|1,0,0]=3 26786 B12R1.272 OCCCCCCNC1COC1 34a_100000686447_100009818527 [0,1,0,1,0,0|1,0,0]=3 26787 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,1,0,1,0,0|0,0,0]=2 26788 B12R1.272 OCCCCCCOC1CSC1 7a_100000072292_100000766143 [0,1,0,1,0,0|1,0,0]=3 26789 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,1,0,1,0,0|0,0,0]=2 26790 B12R1.272 OCCCCCCSC1COC1 62a_100000766143_100009818527 [0,1,0,1,0,0|1,0,0]=3 26791 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,1,0,1,0,0|0,0,0]=2 26792 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,1,0,1,0,0|0,0,0]=2 26793 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,1,0,1,0,0|0,0,0]=2 26794 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,1,0,1,0,0|0,0,0]=2 26795 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,1,0,1,0,0|0,0,0]=2 26796 B12R1.272 OCCCCCNCC1CCO1 2230a_100000762737_100000103362 [0,1,0,1,0,0|1,0,0]=3 26797 B12R1.272 OCCCCCNCC1CCO1 34a_100000762737_100000103362 [0,1,0,1,0,0|1,0,0]=3 26798 B12R1.272 OCCCCCNCC1COC1 2230a_100000762737_100010264016 [0,1,0,1,0,0|1,0,0]=3 26799 B12R1.272 OCCCCCNCC1COC1 2230a_100015281925_100000746330 [0,1,0,1,0,0|1,0,0]=3 26800 B12R1.272 OCCCCCNCC1COC1 34a_100000762737_100010264016 [0,1,0,1,0,0|1,0,0]=3 26801 B12R1.272 OCCCCCNCC1COC1 34a_100015281925_100000746330 [0,1,0,1,0,0|1,0,0]=3 26802 B12R1.272 OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000746330 [0,1,0,1,0,0|1,0,0]=3 26803 B12R1.272 OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000746330 [0,1,0,1,0,0|1,0,0]=3 26804 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,1,0,1,0,0|0,0,0]=2 26805 B12R1.272 OCCCCCOCC1CCO1 34a_100000039022_100000746330 [0,1,0,1,0,0|1,0,0]=3 26806 B12R1.272 OCCCCCOCC1CNC1 34a_100016987283_100000746330 [0,1,0,1,0,0|1,0,0]=3 26807 B12R1.272 OCCCCCOCC1COC1 34a_100000060846_100000746330 [0,1,0,1,0,0|1,0,0]=3 26808 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,1,0,1,0,0|0,0,0]=2 26809 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,1,0,1,0,0|0,0,0]=2 26810 B12R1.272 OCCCCCSCC1CCO1 62a_100000103362_100000746330 [0,1,0,1,0,0|1,0,0]=3 26811 B12R1.272 OCCCCCSCC1CCO1 62a_100000746330_100000103362 [0,1,0,1,0,0|1,0,0]=3 26812 B12R1.272 OCCCCCSCC1COC1 62a_100000746330_100010264016 [0,1,0,1,0,0|1,0,0]=3 26813 B12R1.272 OCCCCCSCC1COC1 62a_100010264016_100000746330 [0,1,0,1,0,0|1,0,0]=3 26814 B12R1.272 OCCCCOCCC1COC1 34a_100009855314_100011216708 [0,1,0,1,0,0|1,0,0]=3 26815 B12R1.272 OCCOCCNCC1CCC1 2230a_100000211614_100000763275 [0,1,0,1,0,0|1,0,0]=3 26816 B12R1.272 OCCOCCNCC1CCC1 2230a_100000738700_100011215305 [0,1,0,1,0,0|1,0,0]=3 26817 B12R1.272 OCCOCCNCC1CCC1 269862a_100000211614_100000753134 [0,1,0,1,0,0|1,0,0]=3 26818 B12R1.272 OCCOCCNCC1CCC1 34a_100000211614_100000763275 [0,1,0,1,0,0|1,0,0]=3 26819 B12R1.272 OCCOCCNCC1CCC1 34a_100000738700_100000692535 [0,1,0,1,0,0|1,0,0]=3 26820 B12R1.272 OCCOCCNCC1CCO1 2230a_100000211614_100000103362 [0,1,0,1,0,0|2,0,0]=4 26821 B12R1.272 OCCOCCNCC1CCO1 34a_100000211614_100000103362 [0,1,0,1,0,0|2,0,0]=4 26822 B12R1.272 OCCOCCNCC1COC1 2230a_100000211614_100010264016 [0,1,0,1,0,0|2,0,0]=4 26823 B12R1.272 OCCOCCNCC1COC1 2230a_100015281925_100011215305 [0,1,0,1,0,0|2,0,0]=4 26824 B12R1.272 OCCOCCNCC1COC1 34a_100000211614_100010264016 [0,1,0,1,0,0|2,0,0]=4 26825 B12R1.272 OCCOCCNCC1COC1 34a_100015281925_100000692535 [0,1,0,1,0,0|2,0,0]=4 26826 B12R1.272 OCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215305 [0,1,0,1,0,0|2,0,0]=4 26827 B12R1.272 OCCOCCNC[C@@H]1CCO1 34a_100020831831_100000692535 [0,1,0,1,0,0|2,0,0]=4 26828 B12R1.272 OCCOCCOCC1CCC1 34a_100000760304_100000692535 [0,1,0,1,0,0|1,0,0]=3 26829 B12R1.272 OCCOCCOCC1CCO1 34a_100000039022_100000692535 [0,1,0,1,0,0|2,0,0]=4 26830 B12R1.272 OCCOCCOCC1CNC1 34a_100016987283_100000692535 [0,1,0,1,0,0|2,0,0]=4 26831 B12R1.272 OCCOCCOCC1COC1 34a_100000060846_100000692535 [0,1,0,1,0,0|2,0,0]=4 26832 B12R1.272 OCCOCCSCC1CCC1 62a_100000763275_100011215305 [0,1,0,1,0,0|1,0,0]=3 26833 B12R1.272 OCCOCCSCC1CCC1 62a_100011215305_100000763275 [0,1,0,1,0,0|1,0,0]=3 26834 B12R1.272 OCCOCCSCC1CCO1 62a_100000103362_100011215305 [0,1,0,1,0,0|2,0,0]=4 26835 B12R1.272 OCCOCCSCC1CCO1 62a_100011215305_100000103362 [0,1,0,1,0,0|2,0,0]=4 26836 B12R1.272 OCCOCCSCC1COC1 62a_100010264016_100011215305 [0,1,0,1,0,0|2,0,0]=4 26837 B12R1.272 OCCOCCSCC1COC1 62a_100011215305_100010264016 [0,1,0,1,0,0|2,0,0]=4 26838 B12R1.272 OCCSCCNCC1CCC1 2230a_100011219999_100000763275 [0,1,0,1,0,0|1,0,0]=3 26839 B12R1.272 OCCSCCNCC1CCC1 269862a_100011219999_100000753134 [0,1,0,1,0,0|1,0,0]=3 26840 B12R1.272 OCCSCCNCC1CCO1 2230a_100011219999_100000103362 [0,1,0,1,0,0|2,0,0]=4 26841 B12R1.272 OCCSCCNCC1COC1 2230a_100011219999_100010264016 [0,1,0,1,0,0|2,0,0]=4 26842 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [0,1,0,1,0,0|1,0,1]=4 26843 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [0,1,0,1,0,0|1,0,0]=3 26844 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,1,0,1,0,0|0,0,0]=2 26845 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,1,0,1,0,0|0,0,0]=2 26846 B12R1.320 CCCCC1C=CCN1CCO 2230a_100015184376_100000211926 [0,1,0,1,0,0|0,0,2]=4 26847 B12R1.320 CCCCC1C=CCN1CCO 269982a_100015184376_100000211926 [0,1,0,1,0,0|0,0,2]=4 26848 B12R1.320 CCCCC1C=CCN1CCO 34a_100015184376_100000211926 [0,1,0,1,0,0|0,0,2]=4 26849 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,1,0,1,0,0|1,0,0]=3 26850 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,1,0,1,0,0|1,0,0]=3 26851 B12R1.320 CCCCN1CCC[C@H]1COC 2230a_100020646714_100000210211 [0,1,0,1,0,0|1,0,0]=3 26852 B12R1.320 CCCCN1CCC[C@H]1COC 269982a_100020646714_100000210211 [0,1,0,1,0,0|1,0,0]=3 26853 B12R1.320 CCCCN1CCC[C@H]1COC 34a_100020646714_100000210210 [0,1,0,1,0,0|1,0,0]=3 26854 B12R1.320 CCCN1CCCC1COCC 34a_200000694710_100000210202 [0,1,0,1,0,0|2,0,0]=4 26855 B12R1.320 CCCN1CCCC1COCC 7a_200000694710_100000210202 [0,1,0,1,0,0|2,0,0]=4 26856 B12R1.320 CCCN1CCCC1COCF 34a_200000694710_100015361967 [0,1,0,1,0,0|2,0,0]=4 26857 B12R1.320 CCCN1CCCC1COCF 7a_200000694710_100015361967 [0,1,0,1,0,0|2,0,0]=4 26858 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [0,1,0,1,0,0|1,0,0]=3 26859 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [0,1,0,1,0,0|1,0,0]=3 26860 B12R1.320 CCNC1CCCC1CCC#N 270004a_100015525214_100000073560 [0,1,0,1,0,0|1,0,1]=4 26861 B12R1.320 CCOCN1CCC[C@H]1COC 269982a_100020646714_100000739092 [0,1,0,1,0,0|2,0,0]=4 26862 B12R1.320 COCCN1CCC[C@H]1COC 2230a_100020646714_100011201679 [0,1,0,1,0,0|2,0,0]=4 26863 B12R1.320 COCCN1CCC[C@H]1COC 269982a_100020646714_100000233755 [0,1,0,1,0,0|2,0,0]=4 26864 B12R1.320 COCCN1CCC[C@H]1COC 34a_100020646714_100011201679 [0,1,0,1,0,0|2,0,0]=4 26865 B12R1.320 COC[C@@H]1CCCN1CCCF 2230a_100020646714_100011934791 [0,1,0,1,0,0|2,0,0]=4 26866 B12R1.320 COC[C@@H]1CCCN1CCCF 269982a_100020646714_100011934791 [0,1,0,1,0,0|2,0,0]=4 26867 B12R1.320 COC[C@@H]1CCCN1CCCF 34a_100020646714_100011934791 [0,1,0,1,0,0|2,0,0]=4 26868 B12R1.320 COC[C@@H]1CCCN1CCCO 2230a_100020646714_100000230001 [0,1,0,1,0,0|1,0,0]=3 26869 B12R1.320 COC[C@@H]1CCCN1CCCO 269982a_100020646714_100011215043 [0,1,0,1,0,0|1,0,0]=3 26870 B12R1.320 COC[C@@H]1CCCN1CCCO 34a_100020646714_100000230001 [0,1,0,1,0,0|1,0,0]=3 26871 B12R1.320 COC[C@@H]1CCCN1CCSC 2230a_100020646714_100000751147 [0,1,0,1,0,0|2,0,0]=4 26872 B12R1.320 COC[C@@H]1CCCN1CCSC 269982a_100020646714_100000212216 [0,1,0,1,0,0|2,0,0]=4 26873 B12R1.320 COC[C@@H]1CCCN1CCSC 34a_100020646714_100000212216 [0,1,0,1,0,0|2,0,0]=4 26874 B12R1.329 C#CCCN1CCCCCCC1 2230a_100000211400_100000688953 [0,1,0,1,0,0|1,0,1]=4 26875 B12R1.329 C#CCCN1CCCCCCC1 269982a_100000211400_100000730999 [0,1,0,1,0,0|1,0,1]=4 26876 B12R1.329 C#CCCN1CCCCCCC1 34a_100000211400_100000688953 [0,1,0,1,0,0|1,0,1]=4 26877 B12R1.329 C#CCNC1CCCCCCC1 2230a_100000211152_100000038162 [0,1,0,1,0,0|1,0,1]=4 26878 B12R1.329 C#CCNC1CCCCCCC1 34a_100000211152_100000184674 [0,1,0,1,0,0|1,0,1]=4 26879 B12R1.329 C#CCOC1CCCCCCC1 34a_100000210054_100000184674 [0,1,0,1,0,0|1,0,1]=4 26880 B12R1.329 C#CCOC1CCCCCCC1 7a_100000210054_100000038162 [0,1,0,1,0,0|1,0,1]=4 26881 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,1,0,1,0,0|1,0,1]=4 26882 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,1,0,1,0,0|1,0,1]=4 26883 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,1,0,1,0,0|1,0,1]=4 26884 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,1,0,1,0,0|1,0,1]=4 26885 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,1,0,1,0,0|1,0,1]=4 26886 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,1,0,1,0,0|1,0,1]=4 26887 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,1,0,1,0,0|1,0,1]=4 26888 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,1,0,1,0,0|1,0,1]=4 26889 B12R1.329 CCCCN1CCCCCCC1 2230a_100000211400_100000210211 [0,1,0,1,0,0|1,0,0]=3 26890 B12R1.329 CCCCN1CCCCCCC1 269982a_100000211400_100000210211 [0,1,0,1,0,0|1,0,0]=3 26891 B12R1.329 CCCCN1CCCCCCC1 34a_100000211400_100000210210 [0,1,0,1,0,0|1,0,0]=3 26892 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [0,1,0,1,0,0|1,0,0]=3 26893 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [0,1,0,1,0,0|1,0,0]=3 26894 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [0,1,0,1,0,0|1,0,0]=3 26895 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,1,0,1,0,0|1,0,1]=4 26896 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,1,0,1,0,0|1,0,0]=3 26897 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,1,0,1,0,0|1,0,0]=3 26898 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,1,0,1,0,0|1,0,0]=3 26899 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,1,0,1,0,0|1,0,0]=3 26900 B12R1.329 CCOCN1CCCCCCC1 269982a_100000211400_100000739092 [0,1,0,1,0,0|2,0,0]=4 26901 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [0,1,0,1,0,0|1,0,0]=3 26902 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [0,1,0,1,0,0|1,0,0]=3 26903 B12R1.329 COCCN1CCCCCCC1 2230a_100000211400_100011201679 [0,1,0,1,0,0|1,0,0]=3 26904 B12R1.329 COCCN1CCCCCCC1 269982a_100000211400_100000233755 [0,1,0,1,0,0|1,0,0]=3 26905 B12R1.329 COCCN1CCCCCCC1 34a_100000211400_100011201679 [0,1,0,1,0,0|1,0,0]=3 26906 B12R1.329 COCNC1CCCCCCC1 2230a_100000211152_100000766300 [0,1,0,1,0,0|1,0,0]=3 26907 B12R1.329 CSCCN1CCCCCCC1 2230a_100000211400_100000751147 [0,1,0,1,0,0|1,1,0]=4 26908 B12R1.329 CSCCN1CCCCCCC1 269982a_100000211400_100000212216 [0,1,0,1,0,0|1,1,0]=4 26909 B12R1.329 CSCCN1CCCCCCC1 34a_100000211400_100000212216 [0,1,0,1,0,0|1,1,0]=4 26910 B12R1.329 CSCNC1CCCCCCC1 2230a_100000211152_100011218213 [0,1,0,1,0,0|1,1,0]=4 26911 B12R1.329 CSCNC1CCCCCCC1 34a_100000211152_100011218213 [0,1,0,1,0,0|1,1,0]=4 26912 B12R1.329 CSCOC1CCCCCCC1 34a_100000210054_100011218213 [0,1,0,1,0,0|1,1,0]=4 26913 B12R1.329 FCCCN1CCCCCCC1 2230a_100000211400_100011934791 [0,1,0,1,0,0|1,0,0]=3 26914 B12R1.329 FCCCN1CCCCCCC1 269982a_100000211400_100011934791 [0,1,0,1,0,0|1,0,0]=3 26915 B12R1.329 FCCCN1CCCCCCC1 34a_100000211400_100011934791 [0,1,0,1,0,0|1,0,0]=3 26916 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [0,1,0,1,0,0|1,0,0]=3 26917 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [0,1,0,1,0,0|1,0,0]=3 26918 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,1,0,1,0,0|1,0,0]=3 26919 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,1,0,1,0,0|1,0,0]=3 26920 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [0,1,0,1,0,0|1,0,0]=3 26921 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [0,1,0,1,0,0|1,0,0]=3 26922 B12R1.329 N#CCCN1CCCCCCC1 2230a_100000211400_100011215226 [0,1,0,1,0,0|1,0,1]=4 26923 B12R1.329 N#CCCN1CCCCCCC1 269982a_100000211400_100011215226 [0,1,0,1,0,0|1,0,1]=4 26924 B12R1.329 N#CCNC1CCCCCCC1 2230a_100000211152_100011215382 [0,1,0,1,0,0|1,0,1]=4 26925 B12R1.329 N#CCOC1CCCCCCC1 7a_100000210054_100011215382 [0,1,0,1,0,0|1,0,1]=4 26926 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,1,0,1,0,0|0,0,2]=4 26927 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,1,0,1,0,0|0,0,2]=4 26928 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,1,0,1,0,0|0,0,2]=4 26929 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,1,0,1,0,0|0,0,2]=4 26930 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,1,0,1,0,0|0,0,0]=2 26931 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,1,0,1,0,0|0,0,0]=2 26932 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,1,0,1,0,0|0,0,0]=2 26933 B12R1.329 OCCNC1CC/C=C\CCC1 34a_100016990907_100021000466 [0,1,0,1,0,0|0,0,2]=4 26934 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,1,0,1,0,0|0,0,0]=2 26935 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,1,0,1,0,0|0,0,0]=2 26936 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,1,0,1,0,0|0,0,0]=2 26937 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,1,0,1,0,0|0,0,2]=4 26938 B12R1.329 OCCOC1CC/C=C\CCC1 34a_100016989180_100000211926 [0,1,0,1,0,0|0,0,2]=4 26939 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,1,0,1,0,0|0,0,0]=2 26940 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,1,0,1,0,0|0,0,0]=2 26941 B12R1.329 OCCSC1CC/C=C\CCC1 62a_100000211926_100021000466 [0,1,0,1,0,0|0,0,2]=4 26942 B12R1.329 OCCSC1CC/C=C\CCC1 62a_100021000466_100000211926 [0,1,0,1,0,0|0,0,2]=4 26943 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [0,1,0,1,0,0|1,0,0]=3 26944 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [0,1,0,1,0,0|1,0,0]=3 26945 B12R1.372 C#CCCCCN1CCC[C@@H]1C 2230a_100020605311_100010269958 [0,1,0,1,0,0|1,0,1]=4 26946 B12R1.372 C#CCCCCN1CCC[C@@H]1C 269982a_100020605311_100010269958 [0,1,0,1,0,0|1,0,1]=4 26947 B12R1.372 C#CCCCCN1CCC[C@H]1C 2230a_100015189458_100010269958 [0,1,0,1,0,0|1,0,1]=4 26948 B12R1.372 C#CCCCCN1CCC[C@H]1C 269982a_100015189458_100010269958 [0,1,0,1,0,0|1,0,1]=4 26949 B12R1.372 C#CCCCCN1CCC[C@H]1C 34a_100015189458_100010269958 [0,1,0,1,0,0|1,0,1]=4 26950 B12R1.372 C#CCCCOC1CCCC1C 34a_100011216460_100000695029 [0,1,0,1,0,0|1,0,1]=4 26951 B12R1.372 C#CCCCOC1CCCC1C 7a_100011216460_100011215417 [0,1,0,1,0,0|1,0,1]=4 26952 B12R1.372 C#CCCCS[C@@H]1CCC[C@H]1O 62a_100011215417_200016002552 [0,1,0,1,0,0|0,0,2]=4 26953 B12R1.372 C#CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215417 [0,1,0,1,0,0|0,0,2]=4 26954 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,1,0,1,0,0|1,0,1]=4 26955 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,1,0,1,0,0|1,0,1]=4 26956 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,1,0,1,0,0|1,0,1]=4 26957 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,1,0,1,0,0|1,0,1]=4 26958 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,1,0,1,0,0|1,0,1]=4 26959 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [0,1,0,1,0,0|1,0,1]=4 26960 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,1,0,1,0,0|1,0,1]=4 26961 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,1,0,1,0,0|1,0,1]=4 26962 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [0,1,0,1,0,0|0,0,2]=4 26963 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [0,1,0,1,0,0|0,0,2]=4 26964 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_100103147603_200016002552 [0,1,0,1,0,0|0,0,2]=4 26965 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_200016002552_100103147603 [0,1,0,1,0,0|0,0,2]=4 26966 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,1,0,1,0,0|0,0,0]=2 26967 B12R1.372 CC1CCCC1OCC#CCO 34a_100011216460_200000047223 [0,1,0,1,0,0|0,0,2]=4 26968 B12R1.372 CC1CCCC1OCC#CCO 7a_100011216460_200000047223 [0,1,0,1,0,0|0,0,2]=4 26969 B12R1.372 CC1CCCC1OCCCC#N 7a_100011216460_100000687738 [0,1,0,1,0,0|1,0,1]=4 26970 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,1,0,1,0,0|0,0,2]=4 26971 B12R1.372 CC1CCCC1OCCCCF 34a_100011216460_100000729493 [0,1,0,1,0,0|1,0,0]=3 26972 B12R1.372 CC1CCCC1OCCCCF 7a_100011216460_100000729493 [0,1,0,1,0,0|1,0,0]=3 26973 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,1,0,1,0,0|0,0,0]=2 26974 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,1,0,1,0,0|0,0,0]=2 26975 B12R1.372 CC1OCCC1NCCCCO 270004a_100000750430_100000691750 [0,1,0,1,0,0|1,0,0]=3 26976 B12R1.372 CC1SCCN1CCCCCF 2230a_200011216479_100000729378 [0,1,0,1,0,0|2,0,0]=4 26977 B12R1.372 CC1SCCN1CCCCCF 269982a_200011216479_100000729378 [0,1,0,1,0,0|2,0,0]=4 26978 B12R1.372 CC1SCCN1CCCCCF 34a_200011216479_100000729378 [0,1,0,1,0,0|2,0,0]=4 26979 B12R1.372 CC1SCCN1CCCCCO 2230a_200011216479_100000746330 [0,1,0,1,0,0|1,0,0]=3 26980 B12R1.372 CC1SCCN1CCCCCO 269982a_200011216479_100000746330 [0,1,0,1,0,0|1,0,0]=3 26981 B12R1.372 CC1SCCN1CCCCCO 34a_200011216479_100000746330 [0,1,0,1,0,0|1,0,0]=3 26982 B12R1.372 CC1SCCN1CCOCCO 2230a_200011216479_100011215305 [0,1,0,1,0,0|2,0,0]=4 26983 B12R1.372 CC1SCCN1CCOCCO 269982a_200011216479_100011215305 [0,1,0,1,0,0|2,0,0]=4 26984 B12R1.372 CC1SCCN1CCOCCO 34a_200011216479_100000692535 [0,1,0,1,0,0|2,0,0]=4 26985 B12R1.372 CCC#CCS[C@@H]1CCC[C@H]1O 62a_100009813939_200016002552 [0,1,0,1,0,0|0,0,2]=4 26986 B12R1.372 CCC#CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009813939 [0,1,0,1,0,0|0,0,2]=4 26987 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [0,1,0,1,0,0|1,0,0]=3 26988 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [0,1,0,1,0,0|1,0,0]=3 26989 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [0,1,0,1,0,0|1,0,0]=3 26990 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [0,1,0,1,0,0|1,0,0]=3 26991 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [0,1,0,1,0,0|1,0,0]=3 26992 B12R1.372 CCCCCCN1CCSC1C 2230a_200011216479_100000210314 [0,1,0,1,0,0|2,0,0]=4 26993 B12R1.372 CCCCCCN1CCSC1C 269982a_200011216479_100000210757 [0,1,0,1,0,0|2,0,0]=4 26994 B12R1.372 CCCCCCN1CCSC1C 34a_200011216479_100000210314 [0,1,0,1,0,0|2,0,0]=4 26995 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,1,0,0|0,0,2]=4 26996 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,1,0,1,0,0|1,0,0]=3 26997 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [0,1,0,1,0,0|2,0,0]=4 26998 B12R1.372 CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210326 [0,1,0,1,0,0|1,0,0]=3 26999 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,1,0,0|0,0,2]=4 27000 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,1,0,0|0,0,2]=4 27001 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,1,0,0|0,0,2]=4 27002 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,1,0,1,0,0|1,0,0]=3 27003 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,1,0,1,0,0|1,0,0]=3 27004 B12R1.372 CCCCCOC1COCC1O 34a_100000210253_200000725654 [0,1,0,1,0,0|1,0,0]=3 27005 B12R1.372 CCCCCOC1COCC1O 7a_100000210253_200000725654 [0,1,0,1,0,0|1,0,0]=3 27006 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,1,0,1,0,0|1,0,0]=3 27007 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,1,0,1,0,0|1,0,0]=3 27008 B12R1.372 CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000718602 [0,1,0,1,0,0|2,0,0]=4 27009 B12R1.372 CCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000718602 [0,1,0,1,0,0|2,0,0]=4 27010 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,1,0,0|0,0,2]=4 27011 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,1,0,0|0,0,2]=4 27012 B12R1.372 CCCCCSC1COCC1O 62a_100000210326_200000725654 [0,1,0,1,0,0|1,0,0]=3 27013 B12R1.372 CCCCCSC1COCC1O 62a_200000725654_100000210326 [0,1,0,1,0,0|1,0,0]=3 27014 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,1,0,1,0,0|0,0,0]=2 27015 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,1,0,1,0,0|0,0,0]=2 27016 B12R1.372 CCCCNN=C1CCCC1O 4a_100025702795_200000719330 [0,1,0,1,0,0|1,0,1]=4 27017 B12R1.372 CCCCOCC1CCCN1C 34a_100000743107_100000210210 [0,1,0,1,0,0|2,0,0]=4 27018 B12R1.372 CCCCOCN1CCC[C@@H]1C 2230a_100020605311_100011995733 [0,1,0,1,0,0|2,0,0]=4 27019 B12R1.372 CCCCOCN1CCC[C@@H]1C 269982a_100020605311_100011995733 [0,1,0,1,0,0|2,0,0]=4 27020 B12R1.372 CCCCOCN1CCC[C@H]1C 2230a_100015189458_100011995733 [0,1,0,1,0,0|2,0,0]=4 27021 B12R1.372 CCCCOCN1CCC[C@H]1C 269982a_100015189458_100011995733 [0,1,0,1,0,0|2,0,0]=4 27022 B12R1.372 CCCCOCN1CCC[C@H]1C 34a_100015189458_100011995733 [0,1,0,1,0,0|2,0,0]=4 27023 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,1,0,1,0,0|2,0,0]=4 27024 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,1,0,1,0,0|2,0,0]=4 27025 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,1,0,1,0,0|2,0,0]=4 27026 B12R1.372 CCCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215938 [0,1,0,1,0,0|2,0,0]=4 27027 B12R1.372 CCCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215938 [0,1,0,1,0,0|2,0,0]=4 27028 B12R1.372 CCCOCCN1CCC[C@H]1C 2230a_100015189458_100011215938 [0,1,0,1,0,0|2,0,0]=4 27029 B12R1.372 CCCOCCN1CCC[C@H]1C 269982a_100015189458_100011215938 [0,1,0,1,0,0|2,0,0]=4 27030 B12R1.372 CCCOCCN1CCC[C@H]1C 34a_100015189458_100011215938 [0,1,0,1,0,0|2,0,0]=4 27031 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,1,0,1,0,0|2,0,0]=4 27032 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,1,0,1,0,0|2,0,0]=4 27033 B12R1.372 CCOCCCN1CCC[C@@H]1C 2230a_100020605311_100012232248 [0,1,0,1,0,0|2,0,0]=4 27034 B12R1.372 CCOCCCN1CCC[C@@H]1C 269982a_100020605311_100012232248 [0,1,0,1,0,0|2,0,0]=4 27035 B12R1.372 CCOCCCN1CCC[C@H]1C 2230a_100015189458_100012232248 [0,1,0,1,0,0|2,0,0]=4 27036 B12R1.372 CCOCCCN1CCC[C@H]1C 269982a_100015189458_100012232248 [0,1,0,1,0,0|2,0,0]=4 27037 B12R1.372 CCOCCCN1CCC[C@H]1C 34a_100015189458_100012232248 [0,1,0,1,0,0|2,0,0]=4 27038 B12R1.372 CCOCCNC1CCCC1C 269862a_100011200944_100000752053 [0,1,0,1,0,0|2,0,0]=4 27039 B12R1.372 CCOCCNC1COCC1O 34a_102516460346_200000725654 [0,1,0,1,0,0|2,0,0]=4 27040 B12R1.372 CCOCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215890 [0,1,0,1,0,0|2,0,0]=4 27041 B12R1.372 CCOCCOC1CCCC1C 34a_100011216460_100000210147 [0,1,0,1,0,0|2,0,0]=4 27042 B12R1.372 CCOCCOC1CCCC1C 7a_100011216460_100011215890 [0,1,0,1,0,0|2,0,0]=4 27043 B12R1.372 CCOCCOC1COCC1O 34a_100000210136_200000725654 [0,1,0,1,0,0|2,0,0]=4 27044 B12R1.372 CCOCCOC1COCC1O 7a_100000210136_200000725654 [0,1,0,1,0,0|2,0,0]=4 27045 B12R1.372 CCOCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210147 [0,1,0,1,0,0|2,0,0]=4 27046 B12R1.372 CCOCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210147 [0,1,0,1,0,0|2,0,0]=4 27047 B12R1.372 CCOCCSC1COCC1O 62a_100000210147_200000725654 [0,1,0,1,0,0|2,0,0]=4 27048 B12R1.372 CCOCCSC1COCC1O 62a_200000725654_100011215890 [0,1,0,1,0,0|2,0,0]=4 27049 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_100000210147_200016002552 [0,1,0,1,0,0|1,0,0]=3 27050 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215890 [0,1,0,1,0,0|1,0,0]=3 27051 B12R1.372 CCSCCNC1CCCC1C 269862a_100000106463_100000752053 [0,1,0,1,0,0|2,0,0]=4 27052 B12R1.372 CCSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000757381 [0,1,0,1,0,0|2,0,0]=4 27053 B12R1.372 CCSCCOC1CCCC1C 34a_100011216460_100000757381 [0,1,0,1,0,0|2,0,0]=4 27054 B12R1.372 CCSCCOC1CCCC1C 7a_100011216460_100000757381 [0,1,0,1,0,0|2,0,0]=4 27055 B12R1.372 CCSCCOC1COCC1O 34a_100000212035_200000725654 [0,1,0,1,0,0|2,0,0]=4 27056 B12R1.372 CCSCCOC1COCC1O 7a_100000212035_200000725654 [0,1,0,1,0,0|2,0,0]=4 27057 B12R1.372 CCSCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757381 [0,1,0,1,0,0|2,0,0]=4 27058 B12R1.372 CCSCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757381 [0,1,0,1,0,0|2,0,0]=4 27059 B12R1.372 CCSCCSC1COCC1O 62a_100000757381_200000725654 [0,1,0,1,0,0|2,0,0]=4 27060 B12R1.372 CCSCCSC1COCC1O 62a_200000725654_100000757381 [0,1,0,1,0,0|2,0,0]=4 27061 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_100000757381_200016002552 [0,1,0,1,0,0|1,0,0]=3 27062 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757381 [0,1,0,1,0,0|1,0,0]=3 27063 B12R1.372 CN1CCCC1CCNCCF 34a_100000724931_100000005710 [0,1,0,1,0,0|2,0,0]=4 27064 B12R1.372 CN1CCCC1CCNCCO 2230a_100016997473_100000005710 [0,1,0,1,0,0|1,0,0]=3 27065 B12R1.372 CN1CCCC1CCNCCO 34a_100016990907_100000005710 [0,1,0,1,0,0|1,0,0]=3 27066 B12R1.372 CN1CCCC1CCOCCBr 34a_100000211926_100000005710 [0,1,0,1,0,0|2,0,0]=4 27067 B12R1.372 CN1CCCC1CCOCCF 34a_100011215177_100011217306 [0,1,0,1,0,0|2,0,0]=4 27068 B12R1.372 CN1CCCC1CCOCCF 7a_100011215177_100011217306 [0,1,0,1,0,0|2,0,0]=4 27069 B12R1.372 CN1CCCC1CCOCCN 34a_100000210304_100000005710 [0,1,0,1,0,0|2,0,0]=4 27070 B12R1.372 CN1CCCC1CCOCCO 34a_100011215177_100000211926 [0,1,0,1,0,0|1,0,0]=3 27071 B12R1.372 CN1CCCC1CCOCCO 7a_100011215177_100000211926 [0,1,0,1,0,0|1,0,0]=3 27072 B12R1.372 CN1CCCC1CCSCCF 62a_100000005710_100011217306 [0,1,0,1,0,0|2,0,0]=4 27073 B12R1.372 CN1CCCC1CCSCCF 62a_100011217306_100000005710 [0,1,0,1,0,0|2,0,0]=4 27074 B12R1.372 CN1CCCC1CCSCCO 62a_100000005710_100000211926 [0,1,0,1,0,0|1,0,0]=3 27075 B12R1.372 CN1CCCC1CCSCCO 62a_100000211926_100000005710 [0,1,0,1,0,0|1,0,0]=3 27076 B12R1.372 CN1CCCC1COCCCF 34a_100000743107_100011934791 [0,1,0,1,0,0|2,0,0]=4 27077 B12R1.372 CN1CCCC1COCCCO 34a_100000743107_100000230001 [0,1,0,1,0,0|1,0,0]=3 27078 B12R1.372 CNCCCOC1COCC1O 34a_100000213112_200000725654 [0,1,0,1,0,0|2,0,0]=4 27079 B12R1.372 COCCCCN1CCC[C@@H]1C 2230a_100020605311_100000730899 [0,1,0,1,0,0|1,0,0]=3 27080 B12R1.372 COCCCCN1CCC[C@@H]1C 269982a_100020605311_100000730899 [0,1,0,1,0,0|1,0,0]=3 27081 B12R1.372 COCCCCN1CCC[C@H]1C 2230a_100015189458_100000730899 [0,1,0,1,0,0|1,0,0]=3 27082 B12R1.372 COCCCCN1CCC[C@H]1C 269982a_100015189458_100000730899 [0,1,0,1,0,0|1,0,0]=3 27083 B12R1.372 COCCCCN1CCC[C@H]1C 34a_100015189458_100000755781 [0,1,0,1,0,0|1,0,0]=3 27084 B12R1.372 COCCCCN1CCSC1C 2230a_200011216479_100000730899 [0,1,0,1,0,0|2,0,0]=4 27085 B12R1.372 COCCCCN1CCSC1C 269982a_200011216479_100000730899 [0,1,0,1,0,0|2,0,0]=4 27086 B12R1.372 COCCCCN1CCSC1C 34a_200011216479_100000755781 [0,1,0,1,0,0|2,0,0]=4 27087 B12R1.372 COCCCNC1CCCC1C 269862a_100150723488_100000752053 [0,1,0,1,0,0|1,0,0]=3 27088 B12R1.372 COCCCNC1CCOC1C 270004a_100150723488_100000691750 [0,1,0,1,0,0|2,0,0]=4 27089 B12R1.372 COCCCNC1COCC1O 34a_100150723488_200000725654 [0,1,0,1,0,0|2,0,0]=4 27090 B12R1.372 COCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000740836 [0,1,0,1,0,0|2,0,0]=4 27091 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [0,1,0,1,0,0|1,0,0]=3 27092 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [0,1,0,1,0,0|1,0,0]=3 27093 B12R1.372 COCCCOC1COCC1O 34a_100000740835_200000725654 [0,1,0,1,0,0|2,0,0]=4 27094 B12R1.372 COCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000740836 [0,1,0,1,0,0|2,0,0]=4 27095 B12R1.372 COCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000740836 [0,1,0,1,0,0|2,0,0]=4 27096 B12R1.372 COCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000740836 [0,1,0,1,0,0|2,0,0]=4 27097 B12R1.372 COCCCSC1COCC1O 62a_100000709357_200000725654 [0,1,0,1,0,0|2,0,0]=4 27098 B12R1.372 COCCCSC1COCC1O 62a_200000725654_100000709357 [0,1,0,1,0,0|2,0,0]=4 27099 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_100000709357_200016002552 [0,1,0,1,0,0|1,0,0]=3 27100 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000709357 [0,1,0,1,0,0|1,0,0]=3 27101 B12R1.372 COCCOCC1CCCN1C 34a_100000743107_100011201679 [0,1,0,1,0,0|2,0,0]=4 27102 B12R1.372 COCCOCN1CCC[C@@H]1C 2230a_100020605311_100000231047 [0,1,0,1,0,0|2,0,0]=4 27103 B12R1.372 COCCOCN1CCC[C@@H]1C 269982a_100020605311_100000231047 [0,1,0,1,0,0|2,0,0]=4 27104 B12R1.372 COCCOCN1CCC[C@H]1C 2230a_100015189458_100000231047 [0,1,0,1,0,0|2,0,0]=4 27105 B12R1.372 COCCOCN1CCC[C@H]1C 269982a_100015189458_100000231047 [0,1,0,1,0,0|2,0,0]=4 27106 B12R1.372 COCSCCC1CCCN1C 62a_100000005710_100000766300 [0,1,0,1,0,0|2,0,0]=4 27107 B12R1.372 COCSCCC1CCCN1C 62a_100000766300_100000005710 [0,1,0,1,0,0|2,0,0]=4 27108 B12R1.372 CSCCCNC1CCCC1C 269862a_100000749238_100000752053 [0,1,0,1,0,0|1,1,0]=4 27109 B12R1.372 CSCCCOC1COCC1O 34a_100000690336_200000725654 [0,1,0,1,0,0|2,0,0]=4 27110 B12R1.372 CSCCCOC1COCC1O 7a_100000690336_200000725654 [0,1,0,1,0,0|2,0,0]=4 27111 B12R1.372 C[C@@H]1CCCN1CCCCC#N 2230a_100015189458_100000211819 [0,1,0,1,0,0|1,0,1]=4 27112 B12R1.372 C[C@@H]1CCCN1CCCCC#N 269982a_100015189458_100011219923 [0,1,0,1,0,0|1,0,1]=4 27113 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,1,0,1,0,0|0,0,2]=4 27114 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 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34a_100011310245_100000211595 [0,1,0,1,0,0|1,0,0]=3 27644 B12R1.375 OCCOCCNCCC1CC1 2230a_100000211614_100000694398 [0,1,0,1,0,0|1,0,0]=3 27645 B12R1.375 OCCOCCNCCC1CC1 34a_100000211614_100000694398 [0,1,0,1,0,0|1,0,0]=3 27646 B12R1.375 OCCOCCNCCC1CC1 34a_100000764129_100000692535 [0,1,0,1,0,0|1,0,0]=3 27647 B12R1.375 OCCOCCNCCC1CO1 2230a_100000211614_100000732470 [0,1,0,1,0,0|2,0,0]=4 27648 B12R1.375 OCCOCCNCCC1CO1 34a_100000211614_100000732470 [0,1,0,1,0,0|2,0,0]=4 27649 B12R1.375 OCCOCCOCCC1CC1 34a_100000754188_100000692535 [0,1,0,1,0,0|1,0,0]=3 27650 B12R1.375 OCCOCCOCCC1CC1 7a_100000754188_100011215305 [0,1,0,1,0,0|1,0,0]=3 27651 B12R1.375 OCCOCCOCC[C@@H]1CO1 34a_100009820653_100000692535 [0,1,0,1,0,0|2,0,0]=4 27652 B12R1.375 OCCOCCSCCC1CC1 62a_100000764125_100011215305 [0,1,0,1,0,0|1,0,0]=3 27653 B12R1.375 OCCOCCSCCC1CC1 62a_100011215305_100000764125 [0,1,0,1,0,0|1,0,0]=3 27654 B12R1.375 OCCOCCSCCC1CO1 62a_100000732470_100011215305 [0,1,0,1,0,0|2,0,0]=4 27655 B12R1.375 OCCOCCSCCC1CO1 62a_100011215305_100000732470 [0,1,0,1,0,0|2,0,0]=4 27656 B12R1.375 OCCSCCNCCC1CC1 2230a_100011219999_100000694398 [0,1,0,1,0,0|1,0,0]=3 27657 B12R1.375 OCCSCCNCCC1CO1 2230a_100011219999_100000732470 [0,1,0,1,0,0|2,0,0]=4 27658 B12R1.383 C#CCCCCCN1CCC1C 269982a_100000755817_100012094781 [0,1,0,1,0,0|1,0,1]=4 27659 B12R1.383 C#CCCCCCN1CCC1C 34a_100000755817_100012094781 [0,1,0,1,0,0|1,0,1]=4 27660 B12R1.383 C=CCCCCCN1CCC1C 269982a_100000755817_100000700193 [0,1,0,1,0,0|1,0,1]=4 27661 B12R1.383 C=CCCCCCN1CCC1C 34a_100000755817_100000700193 [0,1,0,1,0,0|1,0,1]=4 27662 B12R1.383 CC1CCN1CCCCCC#N 269982a_100000755817_100009813376 [0,1,0,1,0,0|1,0,1]=4 27663 B12R1.383 CC1CCN1CCCCCC=O 269982a_100000755817_100000139337 [0,1,0,1,0,0|0,0,2]=4 27664 B12R1.383 CC1CCN1CCCCCCF 269982a_100000755817_100015922095 [0,1,0,1,0,0|1,0,0]=3 27665 B12R1.383 CC1CCN1CCCCCCF 34a_100000755817_100015922095 [0,1,0,1,0,0|1,0,0]=3 27666 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [0,1,0,1,0,0|0,0,0]=2 27667 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [0,1,0,1,0,0|0,0,0]=2 27668 B12R1.383 CCCCCCCN1CCC1C 269982a_100000755817_100000210681 [0,1,0,1,0,0|1,0,0]=3 27669 B12R1.383 CCCCCCCN1CCC1C 34a_100000755817_100000210614 [0,1,0,1,0,0|1,0,0]=3 27670 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|0,0,2]=4 27671 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|0,0,2]=4 27672 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|0,0,2]=4 27673 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|0,0,2]=4 27674 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|0,0,2]=4 27675 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|0,0,2]=4 27676 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|0,0,2]=4 27677 B12R1.383 CCCCOCCN1CCC1C 269982a_100000755817_100000743108 [0,1,0,1,0,0|2,0,0]=4 27678 B12R1.383 CCCCOCCN1CCC1C 34a_100000755817_100000743108 [0,1,0,1,0,0|2,0,0]=4 27679 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|0,0,2]=4 27680 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|0,0,2]=4 27681 B12R1.383 COCCOCCN1CCC1C 269982a_100000755817_100000695917 [0,1,0,1,0,0|2,0,0]=4 27682 B12R1.383 COCCOCCN1CCC1C 34a_100000755817_100000695917 [0,1,0,1,0,0|2,0,0]=4 27683 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,1,0,1,0,0|1,0,1]=4 27684 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,1,0,1,0,0|1,0,1]=4 27685 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,1,0,1,0,0|1,0,1]=4 27686 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,1,0,1,0,0|1,0,1]=4 27687 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,1,0,1,0,0|1,0,1]=4 27688 B12R1.458 CCCCCN1CCC1COC 2230a_100015195929_100000210326 [0,1,0,1,0,0|1,0,0]=3 27689 B12R1.458 CCCCCN1CCC1COC 269982a_100015195929_100000210215 [0,1,0,1,0,0|1,0,0]=3 27690 B12R1.458 CCCCCN1CCC1COC 34a_100015195929_100000718602 [0,1,0,1,0,0|1,0,0]=3 27691 B12R1.458 CCOCCN1CCC1COC 2230a_100015195929_100011215890 [0,1,0,1,0,0|2,0,0]=4 27692 B12R1.458 CCOCCN1CCC1COC 269982a_100015195929_100011215890 [0,1,0,1,0,0|2,0,0]=4 27693 B12R1.458 CCOCCN1CCC1COC 34a_100015195929_100000210147 [0,1,0,1,0,0|2,0,0]=4 27694 B12R1.458 CCSCCN1CCC1COC 2230a_100015195929_100000757381 [0,1,0,1,0,0|2,0,0]=4 27695 B12R1.458 CCSCCN1CCC1COC 269982a_100015195929_100000757381 [0,1,0,1,0,0|2,0,0]=4 27696 B12R1.458 CCSCCN1CCC1COC 34a_100015195929_100000757381 [0,1,0,1,0,0|2,0,0]=4 27697 B12R1.458 COCC1CCN1CCCCF 2230a_100015195929_100000729493 [0,1,0,1,0,0|2,0,0]=4 27698 B12R1.458 COCC1CCN1CCCCF 269982a_100015195929_100000729493 [0,1,0,1,0,0|2,0,0]=4 27699 B12R1.458 COCC1CCN1CCCCF 34a_100015195929_100000729493 [0,1,0,1,0,0|2,0,0]=4 27700 B12R1.458 COCC1CCN1CCCCO 2230a_100015195929_100000210776 [0,1,0,1,0,0|1,0,0]=3 27701 B12R1.458 COCC1CCN1CCCCO 269982a_100015195929_100000210776 [0,1,0,1,0,0|1,0,0]=3 27702 B12R1.458 COCC1CCN1CCCCO 34a_100015195929_100011216708 [0,1,0,1,0,0|1,0,0]=3 27703 B12R1.458 COCCCN1CCC1COC 2230a_100015195929_100000740836 [0,1,0,1,0,0|2,0,0]=4 27704 B12R1.458 COCCCN1CCC1COC 269982a_100015195929_100000740836 [0,1,0,1,0,0|2,0,0]=4 27705 B12R1.458 COCCCN1CCC1COC 34a_100015195929_100000740836 [0,1,0,1,0,0|2,0,0]=4 27706 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,1,0,1,0,0|1,0,0]=3 27707 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [0,1,0,1,0,0|1,0,0]=3 27708 B12R1.1414 C#CCCCN1CCCCCC1 2230a_100000185865_100000731252 [0,1,0,1,0,0|1,0,1]=4 27709 B12R1.1414 C#CCCCN1CCCCCC1 269982a_100000185865_100011215417 [0,1,0,1,0,0|1,0,1]=4 27710 B12R1.1414 C#CCCCN1CCCCCC1 34a_100000185865_100000695029 [0,1,0,1,0,0|1,0,1]=4 27711 B12R1.1414 C#CCCNC1CCCCCC1 2230a_100000210984_100000688953 [0,1,0,1,0,0|1,0,1]=4 27712 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000210984_100000688953 [0,1,0,1,0,0|1,0,1]=4 27713 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000755551_100011217769 [0,1,0,1,0,0|1,0,1]=4 27714 B12R1.1414 C#CCCOC1CCCCCC1 34a_100000210887_100000688953 [0,1,0,1,0,0|1,0,1]=4 27715 B12R1.1414 C#CCCOC1CCCCCC1 34a_100011215631_100011217769 [0,1,0,1,0,0|1,0,1]=4 27716 B12R1.1414 C#CCCOC1CCCCCC1 7a_100000210887_100000688953 [0,1,0,1,0,0|1,0,1]=4 27717 B12R1.1414 C#CCCSC1CCCCCC1 62a_100000688953_100011217769 [0,1,0,1,0,0|1,0,1]=4 27718 B12R1.1414 C#CCCSC1CCCCCC1 62a_100011217769_100000688953 [0,1,0,1,0,0|1,0,1]=4 27719 B12R1.1414 C#CCNCC1CCCCCC1 2230a_100015204231_100000038162 [0,1,0,1,0,0|1,0,1]=4 27720 B12R1.1414 C#CCNCC1CCCCCC1 34a_100000212058_200000696569 [0,1,0,1,0,0|1,0,1]=4 27721 B12R1.1414 C#CCNCC1CCCCCC1 34a_100015204231_100000184674 [0,1,0,1,0,0|1,0,1]=4 27722 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000210247_200000696569 [0,1,0,1,0,0|1,0,1]=4 27723 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000699130_100000184674 [0,1,0,1,0,0|1,0,1]=4 27724 B12R1.1414 C#CCOCC1CCCCCC1 7a_100000699130_100000038162 [0,1,0,1,0,0|1,0,1]=4 27725 B12R1.1414 C#CCSCC1CCCCCC1 62a_100000038162_200000696569 [0,1,0,1,0,0|1,0,1]=4 27726 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [0,1,0,1,0,0|1,0,1]=4 27727 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [0,1,0,1,0,0|1,0,1]=4 27728 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [0,1,0,1,0,0|1,0,1]=4 27729 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [0,1,0,1,0,0|1,0,1]=4 27730 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [0,1,0,1,0,0|1,0,1]=4 27731 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [0,1,0,1,0,0|1,0,1]=4 27732 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,1,0,1,0,0|1,0,1]=4 27733 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,1,0,1,0,0|1,0,1]=4 27734 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,1,0,1,0,0|1,0,1]=4 27735 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [0,1,0,1,0,0|1,0,1]=4 27736 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [0,1,0,1,0,0|1,0,1]=4 27737 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [0,1,0,1,0,0|1,0,1]=4 27738 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [0,1,0,1,0,0|1,0,1]=4 27739 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [0,1,0,1,0,0|1,0,1]=4 27740 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,1,0,1,0,0|1,0,1]=4 27741 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,1,0,1,0,0|1,0,1]=4 27742 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,1,0,1,0,0|1,0,1]=4 27743 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [0,1,0,1,0,0|1,0,1]=4 27744 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [0,1,0,1,0,0|1,0,1]=4 27745 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [0,1,0,1,0,0|1,0,0]=3 27746 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [0,1,0,1,0,0|1,0,0]=3 27747 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [0,1,0,1,0,0|1,0,0]=3 27748 B12R1.1414 CCCCCN1CCCOCC1 2230a_100000685342_100000210326 [0,1,0,1,0,0|2,0,0]=4 27749 B12R1.1414 CCCCCN1CCCOCC1 269982a_100000685342_100000210215 [0,1,0,1,0,0|2,0,0]=4 27750 B12R1.1414 CCCCCN1CCCOCC1 34a_100000685342_100000718602 [0,1,0,1,0,0|2,0,0]=4 27751 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [0,1,0,1,0,0|1,0,0]=3 27752 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [0,1,0,1,0,0|1,0,0]=3 27753 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [0,1,0,1,0,0|1,0,0]=3 27754 B12R1.1414 CCCCNC1CCCNCC1 270004a_100000102301_100015187895 [0,1,0,1,0,0|2,0,0]=4 27755 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,1,0,1,0,0|1,0,0]=3 27756 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,1,0,1,0,0|1,0,0]=3 27757 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,1,0,1,0,0|1,0,0]=3 27758 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [0,1,0,1,0,0|1,0,0]=3 27759 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [0,1,0,1,0,0|1,0,0]=3 27760 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [0,1,0,1,0,0|1,0,0]=3 27761 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [0,1,0,1,0,0|1,0,0]=3 27762 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [0,1,0,1,0,0|1,0,0]=3 27763 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,1,0,1,0,0|1,0,0]=3 27764 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,1,0,1,0,0|1,0,0]=3 27765 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,1,0,1,0,0|1,0,0]=3 27766 B12R1.1414 CCCOCC1CNCCOC1 34a_100103147999_100000210303 [0,1,0,1,0,0|2,0,0]=4 27767 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [0,1,0,1,0,0|1,0,0]=3 27768 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [0,1,0,1,0,0|1,0,0]=3 27769 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [0,1,0,1,0,0|1,0,0]=3 27770 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [0,1,0,1,0,0|1,0,0]=3 27771 B12R1.1414 CCOCCN1CCCCCC1 2230a_100000185865_100011215890 [0,1,0,1,0,0|2,0,0]=4 27772 B12R1.1414 CCOCCN1CCCCCC1 269982a_100000185865_100011215890 [0,1,0,1,0,0|2,0,0]=4 27773 B12R1.1414 CCOCCN1CCCCCC1 34a_100000185865_100000210147 [0,1,0,1,0,0|2,0,0]=4 27774 B12R1.1414 CCOCCN1CCCCCC1 34a_100000238007_100000210202 [0,1,0,1,0,0|2,0,0]=4 27775 B12R1.1414 CCOCSC1CCCCCC1 62a_100000739092_100011217769 [0,1,0,1,0,0|2,0,0]=4 27776 B12R1.1414 CCOCSC1CCCCCC1 62a_100011217769_100000739092 [0,1,0,1,0,0|2,0,0]=4 27777 B12R1.1414 CCSCCN1CCCCCC1 2230a_100000185865_100000757381 [0,1,0,1,0,0|2,0,0]=4 27778 B12R1.1414 CCSCCN1CCCCCC1 269982a_100000185865_100000757381 [0,1,0,1,0,0|2,0,0]=4 27779 B12R1.1414 CCSCCN1CCCCCC1 34a_100000185865_100000757381 [0,1,0,1,0,0|2,0,0]=4 27780 B12R1.1414 CCSCCN1CCCCCC1 62a_100000210202_100000722644 [0,1,0,1,0,0|2,0,0]=4 27781 B12R1.1414 CCSCCN1CCCCCC1 62a_100000722644_100000210202 [0,1,0,1,0,0|2,0,0]=4 27782 B12R1.1414 COCCCN1CCCCCC1 2230a_100000185865_100000740836 [0,1,0,1,0,0|1,0,0]=3 27783 B12R1.1414 COCCCN1CCCCCC1 269982a_100000185865_100000740836 [0,1,0,1,0,0|1,0,0]=3 27784 B12R1.1414 COCCCN1CCCCCC1 34a_100000185865_100000740836 [0,1,0,1,0,0|1,0,0]=3 27785 B12R1.1414 COCCCN1CCCCCC1 34a_100102886287_200000210301 [0,1,0,1,0,0|1,0,0]=3 27786 B12R1.1414 COCCCN1CCCCCC1 7a_100102886287_200000210301 [0,1,0,1,0,0|1,0,0]=3 27787 B12R1.1414 COCCCN1CCCOCC1 2230a_100000685342_100000740836 [0,1,0,1,0,0|2,0,0]=4 27788 B12R1.1414 COCCCN1CCCOCC1 269982a_100000685342_100000740836 [0,1,0,1,0,0|2,0,0]=4 27789 B12R1.1414 COCCCN1CCCOCC1 34a_100000685342_100000740836 [0,1,0,1,0,0|2,0,0]=4 27790 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [0,1,0,1,0,0|1,0,0]=3 27791 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [0,1,0,1,0,0|1,0,0]=3 27792 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [0,1,0,1,0,0|1,0,0]=3 27793 B12R1.1414 COCCNC1CCCNCC1 270004a_100000209980_100015187895 [0,1,0,1,0,0|2,0,0]=4 27794 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,1,0,1,0,0|1,0,0]=3 27795 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,1,0,1,0,0|1,0,0]=3 27796 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,1,0,1,0,0|1,0,0]=3 27797 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [0,1,0,1,0,0|1,0,0]=3 27798 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [0,1,0,1,0,0|1,0,0]=3 27799 B12R1.1414 COCNCC1CCCCCC1 2230a_100015204231_100000766300 [0,1,0,1,0,0|1,0,0]=3 27800 B12R1.1414 COCSCC1CCCCCC1 62a_100000766300_200000696569 [0,1,0,1,0,0|1,0,0]=3 27801 B12R1.1414 COCSCC1CCCCCC1 62a_200000696569_100000766300 [0,1,0,1,0,0|1,0,0]=3 27802 B12R1.1414 CSCCNC1CCCCCC1 2230a_100000210984_100000751147 [0,1,0,1,0,0|1,1,0]=4 27803 B12R1.1414 CSCCNC1CCCCCC1 270004a_100020590264_100000210131 [0,1,0,1,0,0|1,1,0]=4 27804 B12R1.1414 CSCCNC1CCCCCC1 34a_100000210984_100000212216 [0,1,0,1,0,0|1,1,0]=4 27805 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,1,0,1,0,0|1,1,0]=4 27806 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,1,0,1,0,0|1,1,0]=4 27807 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,1,0,1,0,0|1,1,0]=4 27808 B12R1.1414 CSCCSC1CCCCCC1 62a_100000212216_100011217769 [0,1,0,1,0,0|1,1,0]=4 27809 B12R1.1414 CSCCSC1CCCCCC1 62a_100011217769_100000751147 [0,1,0,1,0,0|1,1,0]=4 27810 B12R1.1414 CSCNCC1CCCCCC1 2230a_100015204231_100011218213 [0,1,0,1,0,0|1,1,0]=4 27811 B12R1.1414 CSCNCC1CCCCCC1 34a_100015204231_100011218213 [0,1,0,1,0,0|1,1,0]=4 27812 B12R1.1414 CSCOCC1CCCCCC1 34a_100000699130_100011218213 [0,1,0,1,0,0|1,1,0]=4 27813 B12R1.1414 CSCSCC1CCCCCC1 62a_100011218213_200000696569 [0,1,0,1,0,0|1,1,0]=4 27814 B12R1.1414 CSCSCC1CCCCCC1 62a_200000696569_100011218213 [0,1,0,1,0,0|1,1,0]=4 27815 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,1,0,1,0,0|1,0,0]=3 27816 B12R1.1414 FCCCCN1CCCCCC1 2230a_100000185865_100000729493 [0,1,0,1,0,0|1,0,0]=3 27817 B12R1.1414 FCCCCN1CCCCCC1 269982a_100000185865_100000729493 [0,1,0,1,0,0|1,0,0]=3 27818 B12R1.1414 FCCCCN1CCCCCC1 34a_100000185865_100000729493 [0,1,0,1,0,0|1,0,0]=3 27819 B12R1.1414 FCCCCN1CCCOCC1 2230a_100000685342_100000729493 [0,1,0,1,0,0|2,0,0]=4 27820 B12R1.1414 FCCCCN1CCCOCC1 269982a_100000685342_100000729493 [0,1,0,1,0,0|2,0,0]=4 27821 B12R1.1414 FCCCCN1CCCOCC1 34a_100000685342_100000729493 [0,1,0,1,0,0|2,0,0]=4 27822 B12R1.1414 FCCCNC1CCCCCC1 2230a_100000210984_100011934791 [0,1,0,1,0,0|1,0,0]=3 27823 B12R1.1414 FCCCNC1CCCCCC1 270004a_100015189416_100000210131 [0,1,0,1,0,0|1,0,0]=3 27824 B12R1.1414 FCCCNC1CCCCCC1 34a_100000210984_100011934791 [0,1,0,1,0,0|1,0,0]=3 27825 B12R1.1414 FCCCNC1CCCCCC1 34a_100015189416_100011217769 [0,1,0,1,0,0|1,0,0]=3 27826 B12R1.1414 FCCCNC1CCCNCC1 270004a_100015189416_100015187895 [0,1,0,1,0,0|2,0,0]=4 27827 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,1,0,1,0,0|1,0,0]=3 27828 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,1,0,1,0,0|1,0,0]=3 27829 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,1,0,1,0,0|1,0,0]=3 27830 B12R1.1414 FCCCSC1CCCCCC1 62a_100011217769_100011934791 [0,1,0,1,0,0|1,0,0]=3 27831 B12R1.1414 FCCCSC1CCCCCC1 62a_100011934791_100011217769 [0,1,0,1,0,0|1,0,0]=3 27832 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [0,1,0,1,0,0|1,0,0]=3 27833 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [0,1,0,1,0,0|1,0,0]=3 27834 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [0,1,0,1,0,0|1,0,0]=3 27835 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [0,1,0,1,0,0|1,0,0]=3 27836 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [0,1,0,1,0,0|1,0,0]=3 27837 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [0,1,0,1,0,0|1,0,0]=3 27838 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [0,1,0,1,0,0|1,0,0]=3 27839 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [0,1,0,1,0,0|1,0,0]=3 27840 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [0,1,0,1,0,0|1,0,0]=3 27841 B12R1.1414 FCOCCN1CCCCCC1 34a_100000238007_100015361967 [0,1,0,1,0,0|2,0,0]=4 27842 B12R1.1414 FCSCCN1CCCCCC1 62a_100000722644_100015361967 [0,1,0,1,0,0|2,0,0]=4 27843 B12R1.1414 FCSCCN1CCCCCC1 62a_100015361967_100000722644 [0,1,0,1,0,0|2,0,0]=4 27844 B12R1.1414 N#CCCCN1CCCCCC1 2230a_100000185865_100000687738 [0,1,0,1,0,0|1,0,1]=4 27845 B12R1.1414 N#CCCCN1CCCCCC1 269982a_100000185865_100000687738 [0,1,0,1,0,0|1,0,1]=4 27846 B12R1.1414 N#CCCNC1CCCCCC1 2230a_100000210984_100011215226 [0,1,0,1,0,0|1,0,1]=4 27847 B12R1.1414 N#CCCNC1CCCCCC1 270004a_100000720768_100000210131 [0,1,0,1,0,0|1,0,1]=4 27848 B12R1.1414 N#CCCOC1CCCCCC1 7a_100000210887_100000184422 [0,1,0,1,0,0|1,0,1]=4 27849 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011215226_100011217769 [0,1,0,1,0,0|1,0,1]=4 27850 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011217769_100011215226 [0,1,0,1,0,0|1,0,1]=4 27851 B12R1.1414 N#CCNCC1CCCCCC1 2230a_100015204231_100011215382 [0,1,0,1,0,0|1,0,1]=4 27852 B12R1.1414 N#CCOCC1CCCCCC1 7a_100000699130_100011215382 [0,1,0,1,0,0|1,0,1]=4 27853 B12R1.1414 N#CCSCC1CCCCCC1 62a_100011215382_200000696569 [0,1,0,1,0,0|1,0,1]=4 27854 B12R1.1414 N#CCSCC1CCCCCC1 62a_200000696569_100011215382 [0,1,0,1,0,0|1,0,1]=4 27855 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,1,0,1,0,0|1,0,0]=3 27856 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [0,1,0,1,0,0|1,0,0]=3 27857 B12R1.1414 NOCCOC1CCCCCC1 34a_100000700252_100011217769 [0,1,0,1,0,0|1,0,0]=3 27858 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [0,1,0,1,0,0|0,0,2]=4 27859 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [0,1,0,1,0,0|0,0,2]=4 27860 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,1,0,1,0,0|0,0,2]=4 27861 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,1,0,1,0,0|0,0,2]=4 27862 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,1,0,1,0,0|0,0,2]=4 27863 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,1,0,1,0,0|0,0,2]=4 27864 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,1,0,1,0,0|0,0,2]=4 27865 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,1,0,1,0,0|0,0,2]=4 27866 B12R1.1414 OCC#CCN1CCCCCC1 2230a_100000185865_200000047223 [0,1,0,1,0,0|0,0,2]=4 27867 B12R1.1414 OCC#CCN1CCCCCC1 34a_100000185865_200000047223 [0,1,0,1,0,0|0,0,2]=4 27868 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,1,0,1,0,0|0,0,0]=2 27869 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,1,0,1,0,0|0,0,0]=2 27870 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,1,0,1,0,0|0,0,0]=2 27871 B12R1.1414 OCCCCN1CCCOCC1 2230a_100000685342_100000210776 [0,1,0,1,0,0|1,0,0]=3 27872 B12R1.1414 OCCCCN1CCCOCC1 269982a_100000685342_100000210776 [0,1,0,1,0,0|1,0,0]=3 27873 B12R1.1414 OCCCCN1CCCOCC1 34a_100000685342_100011216708 [0,1,0,1,0,0|1,0,0]=3 27874 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,1,0,1,0,0|0,0,0]=2 27875 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,1,0,1,0,0|0,0,0]=2 27876 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,1,0,1,0,0|0,0,0]=2 27877 B12R1.1414 OCCCNC1CCCNCC1 270004a_100000182051_100015187895 [0,1,0,1,0,0|1,0,0]=3 27878 B12R1.1414 OCCCNC1CSCCSC1 270004a_100000182051_100000068409 [0,1,0,1,0,0|2,0,0]=4 27879 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,1,0,1,0,0|0,0,0]=2 27880 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,1,0,1,0,0|0,0,0]=2 27881 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,1,0,1,0,0|0,0,0]=2 27882 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,1,0,1,0,0|0,0,0]=2 27883 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,1,0,1,0,0|0,0,0]=2 27884 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,1,0,1,0,0|0,0,0]=2 27885 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,1,0,1,0,0|0,0,0]=2 27886 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,1,0,1,0,0|0,0,0]=2 27887 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,1,0,1,0,0|0,0,0]=2 27888 B12R1.1414 OCCNN=C1CCCCCC1 4a_100000210001_100000210131 [0,1,0,1,0,0|1,0,1]=4 27889 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,1,0,1,0,0|0,0,0]=2 27890 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,1,0,1,0,0|0,0,0]=2 27891 B12R1.1414 OCCOCC1CNCCOC1 34a_100103147999_100000211926 [0,1,0,1,0,0|2,0,0]=4 27892 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,1,0,1,0,0|0,0,0]=2 27893 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,1,0,1,0,0|0,0,0]=2 27894 B12R1.1414 [13CH3]OCCCN1CCCCCC1 34a_100102886287_200025704644 [0,1,0,1,0,0|1,0,0]=3 27895 B12R1.1414 [13CH3]OCCCN1CCCCCC1 7a_100102886287_200025704644 [0,1,0,1,0,0|1,0,0]=3 27896 B12R1.28 CC1=CC(CCC1)OCCCO 34a_100011218613_100000230001 [0,1,0,1,0,0|1,0,1]=4 27897 B12R1.28 CC1CC(CCO1)NCCCO 270004a_100000182051_100000755752 [0,1,0,1,0,0|2,0,0]=4 27898 B12R1.28 CC1CC(CCO1)OCCCO 34a_100011986385_100000230001 [0,1,0,1,0,0|2,0,0]=4 27899 B12R1.28 CC1CC(CCO1)OCCCO 7a_100011986385_100011215043 [0,1,0,1,0,0|2,0,0]=4 27900 B12R1.28 CC1CCCC(C1)NCCCF 2230a_100011194320_100011934791 [0,1,0,1,0,0|2,0,0]=4 27901 B12R1.28 CC1CCCC(C1)NCCCF 270004a_100015189416_100000183594 [0,1,0,1,0,0|2,0,0]=4 27902 B12R1.28 CC1CCCC(C1)NCCCF 34a_100011194320_100011934791 [0,1,0,1,0,0|2,0,0]=4 27903 B12R1.28 CC1CCCC(C1)NCCCO 2230a_100011194320_100000230001 [0,1,0,1,0,0|1,0,0]=3 27904 B12R1.28 CC1CCCC(C1)NCCCO 270004a_100000182051_100000183594 [0,1,0,1,0,0|1,0,0]=3 27905 B12R1.28 CC1CCCC(C1)NCCCO 34a_100011194320_100000230001 [0,1,0,1,0,0|1,0,0]=3 27906 B12R1.28 CC1CCCC(C1)OCCCF 34a_100000211399_100011934791 [0,1,0,1,0,0|2,0,0]=4 27907 B12R1.28 CC1CCCC(C1)OCCCO 34a_100000211399_100000230001 [0,1,0,1,0,0|1,0,0]=3 27908 B12R1.28 CC1CN(CCO1)CCCCO 2230a_100000729577_100000210776 [0,1,0,1,0,0|2,0,0]=4 27909 B12R1.28 CC1CN(CCO1)CCCCO 269982a_100000729577_100000210776 [0,1,0,1,0,0|2,0,0]=4 27910 B12R1.28 CC1CN(CCO1)CCCCO 34a_100000729577_100011216708 [0,1,0,1,0,0|2,0,0]=4 27911 B12R1.28 CC1CNCC(C1)COCCO 34a_200012821172_100000211926 [0,1,0,1,0,0|2,0,0]=4 27912 B12R1.28 CCCCCN1CCCC(C1)F 2230a_100000697950_100000210326 [0,1,0,1,0,0|2,0,0]=4 27913 B12R1.28 CCCCCN1CCCC(C1)F 269982a_100000697950_100000210215 [0,1,0,1,0,0|2,0,0]=4 27914 B12R1.28 CCCCCN1CCCC(C1)F 34a_100000697950_100000718602 [0,1,0,1,0,0|2,0,0]=4 27915 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,1,0,1,0,0|1,0,0]=3 27916 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,1,0,1,0,0|1,0,0]=3 27917 B12R1.28 CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210326 [0,1,0,1,0,0|2,0,0]=4 27918 B12R1.28 CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210215 [0,1,0,1,0,0|2,0,0]=4 27919 B12R1.28 CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000718602 [0,1,0,1,0,0|2,0,0]=4 27920 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,1,0,1,0,0|2,0,0]=4 27921 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,1,0,1,0,0|2,0,0]=4 27922 B12R1.28 CCCCNC1CCCC(C1)C 2230a_100011194320_100000210211 [0,1,0,1,0,0|2,0,0]=4 27923 B12R1.28 CCCCNC1CCCC(C1)C 270004a_100000102301_100000183594 [0,1,0,1,0,0|2,0,0]=4 27924 B12R1.28 CCCCNC1CCCC(C1)C 34a_100011194320_100000210210 [0,1,0,1,0,0|2,0,0]=4 27925 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,1,0,1,0,0|1,0,0]=3 27926 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,1,0,1,0,0|1,0,0]=3 27927 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,1,0,1,0,0|2,0,0]=4 27928 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,1,0,1,0,0|1,0,0]=3 27929 B12R1.28 CCOCCN1CCCC(C1)O 2230a_100000211013_100011215890 [0,1,0,1,0,0|2,0,0]=4 27930 B12R1.28 CCOCCN1CCCC(C1)O 269982a_100000211013_100011215890 [0,1,0,1,0,0|2,0,0]=4 27931 B12R1.28 CCSCCN1CCCC(C1)O 2230a_100000211013_100000757381 [0,1,0,1,0,0|2,0,0]=4 27932 B12R1.28 CCSCCN1CCCC(C1)O 269982a_100000211013_100000757381 [0,1,0,1,0,0|2,0,0]=4 27933 B12R1.28 CN1CCCC(C1)CNCCO 34a_100016990907_100015183302 [0,1,0,1,0,0|2,0,0]=4 27934 B12R1.28 CN1CCCC(C1)CSCCO 62a_100000211926_100000752043 [0,1,0,1,0,0|2,0,0]=4 27935 B12R1.28 CN1CCCC(C1)CSCCO 62a_100000752043_100000211926 [0,1,0,1,0,0|2,0,0]=4 27936 B12R1.28 COCCCN1CCCC(C1)O 2230a_100000211013_100000740836 [0,1,0,1,0,0|2,0,0]=4 27937 B12R1.28 COCCCN1CCCC(C1)O 269982a_100000211013_100000740836 [0,1,0,1,0,0|2,0,0]=4 27938 B12R1.28 COCCNC1CCCC(C1)O 2230a_100015190357_100011201679 [0,1,0,1,0,0|2,0,0]=4 27939 B12R1.28 COCCNC1CCCC(C1)O 270004a_100000209980_100012613340 [0,1,0,1,0,0|2,0,0]=4 27940 B12R1.28 COCNCC1CCCC(C1)O 2230a_100011254705_100000766300 [0,1,0,1,0,0|2,0,0]=4 27941 B12R1.28 CSCCNC1CCCC(C1)O 2230a_100015190357_100000751147 [0,1,0,1,0,0|2,0,0]=4 27942 B12R1.28 CSCCNC1CCCC(C1)O 270004a_100020590264_100012613340 [0,1,0,1,0,0|2,0,0]=4 27943 B12R1.28 CSCNCC1CCCC(C1)O 2230a_100011254705_100011218213 [0,1,0,1,0,0|2,0,0]=4 27944 B12R1.28 C[C@@H]1CC(CCN1)NCCCO 270004a_100000182051_100016994030 [0,1,0,1,0,0|2,0,0]=4 27945 B12R1.28 C[C@H]1CCCN(C1)CCCCF 2230a_100000717927_100000729493 [0,1,0,1,0,0|2,0,0]=4 27946 B12R1.28 C[C@H]1CCCN(C1)CCCCF 269982a_100000717927_100000729493 [0,1,0,1,0,0|2,0,0]=4 27947 B12R1.28 C[C@H]1CCCN(C1)CCCCF 34a_100000717927_100000729493 [0,1,0,1,0,0|2,0,0]=4 27948 B12R1.28 C[C@H]1CCCN(C1)CCCCO 2230a_100000717927_100000210776 [0,1,0,1,0,0|1,0,0]=3 27949 B12R1.28 C[C@H]1CCCN(C1)CCCCO 269982a_100000717927_100000210776 [0,1,0,1,0,0|1,0,0]=3 27950 B12R1.28 C[C@H]1CCCN(C1)CCCCO 34a_100000717927_100011216708 [0,1,0,1,0,0|1,0,0]=3 27951 B12R1.28 FCCCCN1CCCC(C1)F 2230a_100000697950_100000729493 [0,1,0,1,0,0|2,0,0]=4 27952 B12R1.28 FCCCCN1CCCC(C1)F 269982a_100000697950_100000729493 [0,1,0,1,0,0|2,0,0]=4 27953 B12R1.28 FCCCCN1CCCC(C1)F 34a_100000697950_100000729493 [0,1,0,1,0,0|2,0,0]=4 27954 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|1,0,1]=4 27955 B12R1.28 OC1CCCC(C1)CNCCF 2230a_100011254705_100011217306 [0,1,0,1,0,0|2,0,0]=4 27956 B12R1.28 OC1CCCC(C1)NCCCF 2230a_100015190357_100011934791 [0,1,0,1,0,0|2,0,0]=4 27957 B12R1.28 OC1CCCC(C1)NCCCF 270004a_100015189416_100012613340 [0,1,0,1,0,0|2,0,0]=4 27958 B12R1.28 OC1CCCN(C1)CCCCF 2230a_100000211013_100000729493 [0,1,0,1,0,0|2,0,0]=4 27959 B12R1.28 OC1CCCN(C1)CCCCF 269982a_100000211013_100000729493 [0,1,0,1,0,0|2,0,0]=4 27960 B12R1.28 OCCCCN1CCCC(C1)F 2230a_100000697950_100000210776 [0,1,0,1,0,0|1,0,0]=3 27961 B12R1.28 OCCCCN1CCCC(C1)F 269982a_100000697950_100000210776 [0,1,0,1,0,0|1,0,0]=3 27962 B12R1.28 OCCCCN1CCCC(C1)F 34a_100000697950_100011216708 [0,1,0,1,0,0|1,0,0]=3 27963 B12R1.28 OCCCCN1CCCC(C1)O 2230a_100000211013_100000210776 [0,1,0,1,0,0|1,0,0]=3 27964 B12R1.28 OCCCCN1CCCC(C1)O 269982a_100000211013_100000210776 [0,1,0,1,0,0|1,0,0]=3 27965 B12R1.28 OCCCCN1CCOC(C1)O 2230a_100000688207_100000210776 [0,1,0,1,0,0|2,0,0]=4 27966 B12R1.28 OCCCCN1CCOC(C1)O 269982a_100000688207_100000210776 [0,1,0,1,0,0|2,0,0]=4 27967 B12R1.28 OCCCNC1CCCC(C1)O 2230a_100015190357_100000230001 [0,1,0,1,0,0|1,0,0]=3 27968 B12R1.28 OCCCNC1CCCC(C1)O 270004a_100000182051_100012613340 [0,1,0,1,0,0|1,0,0]=3 27969 B12R1.28 OCCNCC1CCCC(C1)O 2230a_100011254705_100000211926 [0,1,0,1,0,0|1,0,0]=3 27970 B12R1.32 CC(CCBr)OC1CCCCC1 34a_100012276601_100000210327 [0,1,0,1,0,0|2,0,0]=4 27971 B12R1.32 CC(CCO)NC1CCCCC1 2230a_100000182618_100009893172 [0,1,0,1,0,0|1,0,0]=3 27972 B12R1.32 CC(CCO)NC1CCCCC1 34a_100000182618_100009893172 [0,1,0,1,0,0|1,0,0]=3 27973 B12R1.32 CC(CCO)NC1CCCOC1 2230a_100000719290_100009893172 [0,1,0,1,0,0|2,0,0]=4 27974 B12R1.32 CC(CCO)NC1CCCOC1 34a_100000719290_100009893172 [0,1,0,1,0,0|2,0,0]=4 27975 B12R1.32 CC(CCO)NC1CCOCC1 2230a_100000741149_100009893172 [0,1,0,1,0,0|2,0,0]=4 27976 B12R1.32 CC(CCO)NC1CCOCC1 34a_100000741149_100009893172 [0,1,0,1,0,0|2,0,0]=4 27977 B12R1.32 CC(CCO)NC1CCSCC1 2230a_100000748639_100009893172 [0,1,0,1,0,0|2,0,0]=4 27978 B12R1.32 CC(CCO)NC1CCSCC1 34a_100000748639_100009893172 [0,1,0,1,0,0|2,0,0]=4 27979 B12R1.32 CC(CCO)OC1CCCCC1 34a_100000210231_100009893172 [0,1,0,1,0,0|1,0,0]=3 27980 B12R1.32 CC(CCO)OC1CCCCC1 7a_100000210231_100009893172 [0,1,0,1,0,0|1,0,0]=3 27981 B12R1.32 CC(CCO)OC1CCCCO1 34a_100000033831_100009893172 [0,1,0,1,0,0|2,0,0]=4 27982 B12R1.32 CC(CCO)OC1CCCOC1 34a_100000754041_100009893172 [0,1,0,1,0,0|2,0,0]=4 27983 B12R1.32 CC(CCO)OC1CCCSC1 7a_100015962668_100009893172 [0,1,0,1,0,0|2,0,0]=4 27984 B12R1.32 CC(CCO)OC1CCOCC1 34a_100000744328_100009893172 [0,1,0,1,0,0|2,0,0]=4 27985 B12R1.32 CC(CCO)OC1CCSCC1 34a_100000731022_100009893172 [0,1,0,1,0,0|2,0,0]=4 27986 B12R1.32 CC(CCO)OC1CCSCC1 7a_100000731022_100009893172 [0,1,0,1,0,0|2,0,0]=4 27987 B12R1.32 CC(CCO)SC1CCCCC1 62a_100000210327_100009893172 [0,1,0,1,0,0|1,0,0]=3 27988 B12R1.32 CC(CCO)SC1CCCCC1 62a_100009893172_100000210327 [0,1,0,1,0,0|1,0,0]=3 27989 B12R1.32 CC(CCO)SC1CCCOC1 62a_100009893172_100000693364 [0,1,0,1,0,0|2,0,0]=4 27990 B12R1.32 CC(CCO)SC1CCOCC1 62a_100009893172_100011324220 [0,1,0,1,0,0|2,0,0]=4 27991 B12R1.32 CC(CCO)SC1CCSCC1 62a_100009893172_100000069128 [0,1,0,1,0,0|2,0,0]=4 27992 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|1,0,1]=4 27993 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|1,0,1]=4 27994 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|0,0,1]=3 27995 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|0,0,1]=3 27996 B12R1.32 CCCC(C)NC1CCCCC1 2230a_100000182618_100000766640 [0,1,0,1,0,0|2,0,0]=4 27997 B12R1.32 CCCC(C)NC1CCCCC1 270004a_100000182618_100000211909 [0,1,0,1,0,0|2,0,0]=4 27998 B12R1.32 CCCC(C)NC1CCCCC1 270004a_100000741246_100000210434 [0,1,0,1,0,0|2,0,0]=4 27999 B12R1.32 CCCC(C)NC1CCCCC1 34a_100000182618_100000766640 [0,1,0,1,0,0|2,0,0]=4 28000 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000210231_100000766640 [0,1,0,1,0,0|2,0,0]=4 28001 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000764384_100000210327 [0,1,0,1,0,0|2,0,0]=4 28002 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000210231_100000766640 [0,1,0,1,0,0|2,0,0]=4 28003 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000764384_100000210327 [0,1,0,1,0,0|2,0,0]=4 28004 B12R1.32 CCCC(C)OC1CCCCO1 34a_100000033831_100000766640 [0,1,0,1,0,0|1,0,0]=3 28005 B12R1.32 CCCC(C)SC1CCCCC1 62a_100000210327_100000766640 [0,1,0,1,0,0|2,0,0]=4 28006 B12R1.32 CCCC(C)SC1CCCCC1 62a_100000766640_100000210327 [0,1,0,1,0,0|2,0,0]=4 28007 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 28008 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 28009 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000747261_100000211423 [0,1,0,1,0,0|2,0,0]=4 28010 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 28011 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 28012 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000747261_100000211423 [0,1,0,1,0,0|2,0,0]=4 28013 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 28014 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 28015 B12R1.32 CCCN(C)CC1CCCCO1 2230a_100000225654_100000210303 [0,1,0,1,0,0|1,0,0]=3 28016 B12R1.32 CCCN(C)CC1CCCCO1 2230a_100000747261_100000211543 [0,1,0,1,0,0|1,0,0]=3 28017 B12R1.32 CCCN(C)CC1CCCCO1 269982a_100000225654_100000210303 [0,1,0,1,0,0|1,0,0]=3 28018 B12R1.32 CCCN(C)CC1CCCCO1 269982a_100000747261_100000211543 [0,1,0,1,0,0|1,0,0]=3 28019 B12R1.32 CCCN(C)CC1CCCCO1 34a_100000225654_100000210303 [0,1,0,1,0,0|1,0,0]=3 28020 B12R1.32 CCCN(C)CC1COCCO1 2230a_100011398995_100000210303 [0,1,0,1,0,0|2,0,0]=4 28021 B12R1.32 CCCN(C)CC1COCCO1 269982a_100011398995_100000210303 [0,1,0,1,0,0|2,0,0]=4 28022 B12R1.32 CCCN(C)CC1COCCO1 34a_100011398995_100000210303 [0,1,0,1,0,0|2,0,0]=4 28023 B12R1.32 CCCN([13CH3])CC1CCCCC1 2230a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 28024 B12R1.32 CCCN([13CH3])CC1CCCCC1 269982a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 28025 B12R1.32 CCCN([13CH3])CC1CCCCC1 34a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 28026 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|1,0,1]=4 28027 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|1,0,1]=4 28028 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|1,0,1]=4 28029 B12R1.32 CCNC(C)CC1CCCCC1 270004a_100015525214_100011215996 [0,1,0,1,0,0|2,0,0]=4 28030 B12R1.32 CN(CCF)CC1CCCCC1 2230a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 28031 B12R1.32 CN(CCF)CC1CCCCC1 269982a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 28032 B12R1.32 CN(CCF)CC1CCCCC1 34a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 28033 B12R1.32 CN(CCF)CC1CCCCO1 2230a_100000225654_100011217306 [0,1,0,1,0,0|2,0,0]=4 28034 B12R1.32 CN(CCF)CC1CCCCO1 269982a_100000225654_100011217306 [0,1,0,1,0,0|2,0,0]=4 28035 B12R1.32 CN(CCF)CC1CCCCO1 34a_100000225654_100011217306 [0,1,0,1,0,0|2,0,0]=4 28036 B12R1.32 CN(CCO)CC1CCCCC1 2230a_100000210263_100000211423 [0,1,0,1,0,0|1,0,0]=3 28037 B12R1.32 CN(CCO)CC1CCCCC1 2230a_100000736448_100000211926 [0,1,0,1,0,0|1,0,0]=3 28038 B12R1.32 CN(CCO)CC1CCCCC1 269982a_100000210263_100000211423 [0,1,0,1,0,0|1,0,0]=3 28039 B12R1.32 CN(CCO)CC1CCCCC1 269982a_100000736448_100000211926 [0,1,0,1,0,0|1,0,0]=3 28040 B12R1.32 CN(CCO)CC1CCCCC1 34a_100000736448_100000211926 [0,1,0,1,0,0|1,0,0]=3 28041 B12R1.32 CN(CCO)CC1CCCCO1 2230a_100000210263_100000211543 [0,1,0,1,0,0|2,0,0]=4 28042 B12R1.32 CN(CCO)CC1CCCCO1 2230a_100000225654_100000211926 [0,1,0,1,0,0|2,0,0]=4 28043 B12R1.32 CN(CCO)CC1CCCCO1 269982a_100000210263_100000211543 [0,1,0,1,0,0|2,0,0]=4 28044 B12R1.32 CN(CCO)CC1CCCCO1 269982a_100000225654_100000211926 [0,1,0,1,0,0|2,0,0]=4 28045 B12R1.32 CN(CCO)CC1CCCCO1 34a_100000225654_100000211926 [0,1,0,1,0,0|2,0,0]=4 28046 B12R1.32 CN(CCO)CC1CCCOC1 2230a_100000210263_100000741521 [0,1,0,1,0,0|2,0,0]=4 28047 B12R1.32 CN(CCO)CC1CCCOC1 269982a_100000210263_100000741521 [0,1,0,1,0,0|2,0,0]=4 28048 B12R1.32 CN(CCO)CC1CCOCC1 2230a_100000210263_100000754603 [0,1,0,1,0,0|2,0,0]=4 28049 B12R1.32 CN(CCO)CC1CCOCC1 2230a_100025706683_100000211926 [0,1,0,1,0,0|2,0,0]=4 28050 B12R1.32 CN(CCO)CC1CCOCC1 269982a_100000210263_100000754603 [0,1,0,1,0,0|2,0,0]=4 28051 B12R1.32 CN(CCO)CC1CCOCC1 269982a_100025706683_100000211926 [0,1,0,1,0,0|2,0,0]=4 28052 B12R1.32 CN(CCO)CC1CCOCC1 34a_100025706683_100000211926 [0,1,0,1,0,0|2,0,0]=4 28053 B12R1.32 CN(CCO)CC1CCSCC1 2230a_100011935259_100000211926 [0,1,0,1,0,0|2,0,0]=4 28054 B12R1.32 CN(CCO)CC1CCSCC1 269982a_100011935259_100000211926 [0,1,0,1,0,0|2,0,0]=4 28055 B12R1.32 CN(CCO)CC1CCSCC1 270004a_100000210263_100000067145 [0,1,0,1,0,0|2,0,0]=4 28056 B12R1.32 CN(CCO)CC1CCSCC1 34a_100011935259_100000211926 [0,1,0,1,0,0|2,0,0]=4 28057 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|1,0,1]=4 28058 B12R1.32 COCC(C)OC1CCCCO1 34a_100000033831_100000765312 [0,1,0,1,0,0|2,0,0]=4 28059 B12R1.32 COCN(C)CC1CCCCO1 2230a_100000225654_100000766300 [0,1,0,1,0,0|2,0,0]=4 28060 B12R1.32 COCN(C)CC1CCCCO1 269982a_100000225654_100000766300 [0,1,0,1,0,0|2,0,0]=4 28061 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|2,0,0]=4 28062 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,1,0,1,0,0|1,0,1]=4 28063 B12R1.32 CSCN(C)CC1CCCCO1 2230a_100000225654_100011218213 [0,1,0,1,0,0|2,0,0]=4 28064 B12R1.32 CSCN(C)CC1CCCCO1 269982a_100000225654_100011218213 [0,1,0,1,0,0|2,0,0]=4 28065 B12R1.32 CSCN(C)CC1CCCCO1 34a_100000225654_100011218213 [0,1,0,1,0,0|2,0,0]=4 28066 B12R1.32 C[C@H](CCO)NC1CCCCC1 270004a_100000706166_100000210434 [0,1,0,1,0,0|1,0,0]=3 28067 B12R1.32 C[C@H](CCO)NC1CCCCC1 34a_100000706166_100000210327 [0,1,0,1,0,0|1,0,0]=3 28068 B12R1.32 C[C@H](CCO)NC1CCCOC1 270004a_100000706166_100000753404 [0,1,0,1,0,0|2,0,0]=4 28069 B12R1.32 C[C@H](CCO)NC1CCCOC1 34a_100000706166_100000693364 [0,1,0,1,0,0|2,0,0]=4 28070 B12R1.32 C[C@H](CCO)NC1CCCSC1 270004a_100000706166_100000057913 [0,1,0,1,0,0|2,0,0]=4 28071 B12R1.32 C[C@H](CCO)NC1CCNCC1 270004a_100000706166_100015192401 [0,1,0,1,0,0|2,0,0]=4 28072 B12R1.32 C[C@H](CCO)NC1CCOCC1 270004a_100000706166_100011217826 [0,1,0,1,0,0|2,0,0]=4 28073 B12R1.32 C[C@H](CCO)NC1CCSCC1 270004a_100000706166_100000203788 [0,1,0,1,0,0|2,0,0]=4 28074 B12R1.32 C[C@H](CCO)NC1CCSCC1 34a_100000706166_100000069128 [0,1,0,1,0,0|2,0,0]=4 28075 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|1,0,1]=4 28076 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,1,0,1,0,0|1,0,1]=4 28077 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|0,0,1]=3 28078 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|0,0,1]=3 28079 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|1,0,1]=4 28080 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|1,0,1]=4 28081 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|1,0,1]=4 28082 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|1,0,1]=4 28083 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,1,0,1,0,0|1,0,1]=4 28084 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,1,0,1,0,0|1,0,1]=4 28085 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,1,0,1,0,0|1,0,1]=4 28086 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,1,0,1,0,0|1,0,1]=4 28087 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|2,0,0]=4 28088 B12R1.51 CC(CCBr)OCC1CCCC1 34a_100012276601_100000740388 [0,1,0,1,0,0|2,0,0]=4 28089 B12R1.51 CC(CCN)COC1CCCC1 34a_106354213184_100000179811 [0,1,0,1,0,0|2,0,0]=4 28090 B12R1.51 CC(CCO)NCC1CCCC1 2230a_100000737975_100009893172 [0,1,0,1,0,0|1,0,0]=3 28091 B12R1.51 CC(CCO)NCC1CCCC1 34a_100000737975_100009893172 [0,1,0,1,0,0|1,0,0]=3 28092 B12R1.51 CC(CCO)NCC1CCOC1 2230a_100000737293_100009893172 [0,1,0,1,0,0|2,0,0]=4 28093 B12R1.51 CC(CCO)NCC1CCOC1 34a_100000737293_100009893172 [0,1,0,1,0,0|2,0,0]=4 28094 B12R1.51 CC(CCO)NC[C@@H]1CCCO1 2230a_100020590478_100009893172 [0,1,0,1,0,0|2,0,0]=4 28095 B12R1.51 CC(CCO)NC[C@@H]1CCCO1 34a_100020590478_100009893172 [0,1,0,1,0,0|2,0,0]=4 28096 B12R1.51 CC(CCO)OCC1CCCC1 34a_100000742336_100009893172 [0,1,0,1,0,0|1,0,0]=3 28097 B12R1.51 CC(CCO)OCC1CCCC1 7a_100000742336_100009893172 [0,1,0,1,0,0|1,0,0]=3 28098 B12R1.51 CC(CCO)OCC1CCCO1 34a_100000210270_100009893172 [0,1,0,1,0,0|2,0,0]=4 28099 B12R1.51 CC(CCO)OCC1CCCO1 7a_100000210270_100009893172 [0,1,0,1,0,0|2,0,0]=4 28100 B12R1.51 CC(CCO)OCC1CCNC1 34a_100000748654_100009893172 [0,1,0,1,0,0|2,0,0]=4 28101 B12R1.51 CC(CCO)OCC1CCOC1 34a_100000740260_100009893172 [0,1,0,1,0,0|2,0,0]=4 28102 B12R1.51 CC(CCO)OC[C@H]1CCCN1 34a_100000745186_100009893172 [0,1,0,1,0,0|2,0,0]=4 28103 B12R1.51 CC(CCO)SCC1CCCC1 62a_100000740388_100009893172 [0,1,0,1,0,0|1,0,0]=3 28104 B12R1.51 CC(CCO)SCC1CCCC1 62a_100009893172_100000740388 [0,1,0,1,0,0|1,0,0]=3 28105 B12R1.51 CC(CCO)SCC1CCCO1 62a_100000203698_100009893172 [0,1,0,1,0,0|2,0,0]=4 28106 B12R1.51 CC(CCO)SCC1CCCO1 62a_100009893172_100000203698 [0,1,0,1,0,0|2,0,0]=4 28107 B12R1.51 CC(CCO)SCC1CCOC1 62a_100000702531_100009893172 [0,1,0,1,0,0|2,0,0]=4 28108 B12R1.51 CC(CCO)SCC1CCOC1 62a_100009893172_100000702531 [0,1,0,1,0,0|2,0,0]=4 28109 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|1,0,1]=4 28110 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|1,0,1]=4 28111 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,1,0,1,0,0|0,0,1]=3 28112 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,1,0,1,0,0|1,0,1]=4 28113 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,1,0,1,0,0|1,0,1]=4 28114 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,1,0,1,0,0|1,0,1]=4 28115 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,1,0,1,0,0|1,0,1]=4 28116 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,1,0,1,0,0|1,0,1]=4 28117 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,1,0,1,0,0|1,0,1]=4 28118 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,1,0,1,0,0|1,0,1]=4 28119 B12R1.51 CCCC(C)CNC1CCCC1 2230a_100000211070_100011216630 [0,1,0,1,0,0|2,0,0]=4 28120 B12R1.51 CCCC(C)CNC1CCCC1 270004a_100000211070_100000243154 [0,1,0,1,0,0|2,0,0]=4 28121 B12R1.51 CCCC(C)CNC1CCCC1 34a_100000211070_100011216630 [0,1,0,1,0,0|2,0,0]=4 28122 B12R1.51 CCCC(C)COC1CCCC1 34a_100000210269_100011216630 [0,1,0,1,0,0|2,0,0]=4 28123 B12R1.51 CCCC(C)COC1CCCC1 34a_100000688023_100000179811 [0,1,0,1,0,0|2,0,0]=4 28124 B12R1.51 CCCC(C)COC1CCCC1 7a_100000210269_100011216630 [0,1,0,1,0,0|2,0,0]=4 28125 B12R1.51 CCCC(C)COC1CCCC1 7a_100000688023_100000179811 [0,1,0,1,0,0|2,0,0]=4 28126 B12R1.51 CCCC(C)COC1CCCO1 34a_100000085407_100011216630 [0,1,0,1,0,0|1,0,0]=3 28127 B12R1.51 CCCC(C)CSC1CCCC1 62a_100011216630_100000179811 [0,1,0,1,0,0|2,0,0]=4 28128 B12R1.51 CCCC(C)CSC1CCCC1 62a_100011217020_100011216630 [0,1,0,1,0,0|2,0,0]=4 28129 B12R1.51 CCCC(C)NCC1CCCC1 2230a_100000737975_100000766640 [0,1,0,1,0,0|2,0,0]=4 28130 B12R1.51 CCCC(C)NCC1CCCC1 2230a_100000741246_100000740388 [0,1,0,1,0,0|2,0,0]=4 28131 B12R1.51 CCCC(C)NCC1CCCC1 269862a_100000741246_100000746403 [0,1,0,1,0,0|2,0,0]=4 28132 B12R1.51 CCCC(C)NCC1CCCC1 270004a_100000737975_100000211909 [0,1,0,1,0,0|2,0,0]=4 28133 B12R1.51 CCCC(C)NCC1CCCC1 34a_100000737975_100000766640 [0,1,0,1,0,0|2,0,0]=4 28134 B12R1.51 CCCC(C)NCC1CCCO1 2230a_100000741246_100000203698 [0,1,0,1,0,0|1,0,0]=3 28135 B12R1.51 CCCC(C)NCC1OCCO1 2230a_100000036311_100000766640 [0,1,0,1,0,0|2,0,0]=4 28136 B12R1.51 CCCC(C)NCC1OCCO1 2230a_100000741246_100000755774 [0,1,0,1,0,0|2,0,0]=4 28137 B12R1.51 CCCC(C)NCC1OCCO1 270004a_100000036311_100000211909 [0,1,0,1,0,0|2,0,0]=4 28138 B12R1.51 CCCC(C)NCC1OCCO1 34a_100000036311_100000766640 [0,1,0,1,0,0|2,0,0]=4 28139 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000766640 [0,1,0,1,0,0|1,0,0]=3 28140 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000211909 [0,1,0,1,0,0|1,0,0]=3 28141 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 34a_100020590478_100000766640 [0,1,0,1,0,0|1,0,0]=3 28142 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000742336_100000766640 [0,1,0,1,0,0|2,0,0]=4 28143 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000764384_100000740388 [0,1,0,1,0,0|2,0,0]=4 28144 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000742336_100000766640 [0,1,0,1,0,0|2,0,0]=4 28145 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000764384_100000740388 [0,1,0,1,0,0|2,0,0]=4 28146 B12R1.51 CCCC(C)OCC1CCCO1 34a_100000210270_100000766640 [0,1,0,1,0,0|1,0,0]=3 28147 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000210270_100000766640 [0,1,0,1,0,0|1,0,0]=3 28148 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000764384_100000203698 [0,1,0,1,0,0|1,0,0]=3 28149 B12R1.51 CCCC(C)OCC1COCO1 34a_100011216627_100000766640 [0,1,0,1,0,0|2,0,0]=4 28150 B12R1.51 CCCC(C)OCC1OCCO1 34a_100000087154_100000766640 [0,1,0,1,0,0|2,0,0]=4 28151 B12R1.51 CCCC(C)OCC1OCCO1 34a_100000764384_100000755774 [0,1,0,1,0,0|2,0,0]=4 28152 B12R1.51 CCCC(C)OCC1OCCO1 7a_100000764384_100000755774 [0,1,0,1,0,0|2,0,0]=4 28153 B12R1.51 CCCC(C)OC[C@H]1CCCN1 34a_100000745186_100000766640 [0,1,0,1,0,0|2,0,0]=4 28154 B12R1.51 CCCC(C)SCC1CCCC1 62a_100000740388_100000766640 [0,1,0,1,0,0|2,0,0]=4 28155 B12R1.51 CCCC(C)SCC1CCCC1 62a_100000766640_100000740388 [0,1,0,1,0,0|2,0,0]=4 28156 B12R1.51 CCCC(C)SCC1CCCO1 62a_100000203698_100000766640 [0,1,0,1,0,0|1,0,0]=3 28157 B12R1.51 CCCC(C)SCC1CCCO1 62a_100000766640_100000203698 [0,1,0,1,0,0|1,0,0]=3 28158 B12R1.51 CCCC(C)SCC1OCCO1 62a_100000755774_100000766640 [0,1,0,1,0,0|2,0,0]=4 28159 B12R1.51 CCCC(C)SCC1OCCO1 62a_100000766640_100000755774 [0,1,0,1,0,0|2,0,0]=4 28160 B12R1.51 CCCN(C)CCC1CCCC1 2230a_100000747261_100000760354 [0,1,0,1,0,0|2,0,0]=4 28161 B12R1.51 CCCN(C)CCC1CCCC1 269982a_100000747261_100000760354 [0,1,0,1,0,0|2,0,0]=4 28162 B12R1.51 CCCN(C)CCC1OCCO1 2230a_100000747261_100000740749 [0,1,0,1,0,0|2,0,0]=4 28163 B12R1.51 CCCN(C)CCC1OCCO1 269982a_100000747261_100000740749 [0,1,0,1,0,0|2,0,0]=4 28164 B12R1.51 CCC[C@H](N)COC1CCCC1 34a_100000732646_100000179811 [0,1,0,1,0,0|2,0,0]=4 28165 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,1,0,0|1,0,1]=4 28166 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,1,0,0|1,0,1]=4 28167 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,1,0,0|1,0,1]=4 28168 B12R1.51 CN(CCO)CCC1CCCC1 2230a_100000210263_100000760354 [0,1,0,1,0,0|1,0,0]=3 28169 B12R1.51 CN(CCO)CCC1CCCC1 269982a_100000210263_100000760354 [0,1,0,1,0,0|1,0,0]=3 28170 B12R1.51 CN(CCO)CCN1CCCC1 2230a_100000225677_100000211926 [0,1,0,1,0,0|2,0,0]=4 28171 B12R1.51 CN(CCO)CCN1CCCC1 269982a_100000210263_100000004467 [0,1,0,1,0,0|2,0,0]=4 28172 B12R1.51 CN(CCO)CCN1CCCC1 269982a_100000225677_100000211926 [0,1,0,1,0,0|2,0,0]=4 28173 B12R1.51 COCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000765312 [0,1,0,1,0,0|2,0,0]=4 28174 B12R1.51 COCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000749346 [0,1,0,1,0,0|2,0,0]=4 28175 B12R1.51 COCC(C)NC[C@@H]1CCCO1 34a_100020590478_100000765312 [0,1,0,1,0,0|2,0,0]=4 28176 B12R1.51 COCC(C)OCC1CCCO1 34a_100000210270_100000765312 [0,1,0,1,0,0|2,0,0]=4 28177 B12R1.51 COCC(C)OCC1CCCO1 7a_100000210270_100000765312 [0,1,0,1,0,0|2,0,0]=4 28178 B12R1.51 COCC(C)SCC1CCCO1 62a_100000203698_100000765312 [0,1,0,1,0,0|2,0,0]=4 28179 B12R1.51 COCC(C)SCC1CCCO1 62a_100000765312_100000203698 [0,1,0,1,0,0|2,0,0]=4 28180 B12R1.51 COCC(O)COC1CCCO1 34a_100000085407_100011215053 [0,1,0,1,0,0|2,0,0]=4 28181 B12R1.51 COC[C@@H](C)NCC1CCCO1 2230a_100000764878_100000203698 [0,1,0,1,0,0|2,0,0]=4 28182 B12R1.51 CSCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100011216314 [0,1,0,1,0,0|2,0,0]=4 28183 B12R1.51 C[C@H](CCO)NCC1CCCC1 2230a_100000706166_100000740388 [0,1,0,1,0,0|1,0,0]=3 28184 B12R1.51 C[C@H](CCO)NCC1CCCC1 269862a_100000706166_100000746403 [0,1,0,1,0,0|1,0,0]=3 28185 B12R1.51 C[C@H](CCO)NCC1CCCC1 34a_100000706166_100000740388 [0,1,0,1,0,0|1,0,0]=3 28186 B12R1.51 C[C@H](CCO)NCC1CCCO1 2230a_100000706166_100000203698 [0,1,0,1,0,0|2,0,0]=4 28187 B12R1.51 C[C@H](CCO)NCC1CCOC1 2230a_100000706166_100000702531 [0,1,0,1,0,0|2,0,0]=4 28188 B12R1.51 C[C@H](CCO)NCC1CCOC1 34a_100000706166_100011261433 [0,1,0,1,0,0|2,0,0]=4 28189 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|1,0,1]=4 28190 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,1,0,1,0,0|1,0,1]=4 28191 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|0,0,1]=3 28192 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|0,0,1]=3 28193 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,1,0,0|1,0,1]=4 28194 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,1,0,0|1,0,1]=4 28195 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,1,0,0|1,0,1]=4 28196 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,1,0,0|1,0,1]=4 28197 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,1,0,0|1,0,1]=4 28198 B12R1.62 C=C1CC(C1)CNCCCCO 2230a_100102567296_100000210776 [0,1,0,1,0,0|1,0,1]=4 28199 B12R1.62 C=C1CC(C1)CNCCCCO 34a_100102567296_100011216708 [0,1,0,1,0,0|1,0,1]=4 28200 B12R1.62 C=C1CC(C1)COCCCCO 34a_100011011225_100011216708 [0,1,0,1,0,0|1,0,1]=4 28201 B12R1.62 C=C1CC(C1)NCCCCCO 2230a_100132301982_100000746330 [0,1,0,1,0,0|1,0,1]=4 28202 B12R1.62 CC1CN(C1)CCCCCCF 2230a_100000702820_100015922095 [0,1,0,1,0,0|2,0,0]=4 28203 B12R1.62 CC1CN(C1)CCCCCCF 269982a_100000702820_100015922095 [0,1,0,1,0,0|2,0,0]=4 28204 B12R1.62 CC1CN(C1)CCCCCCF 34a_100000702820_100015922095 [0,1,0,1,0,0|2,0,0]=4 28205 B12R1.62 CC1CN(C1)CCCCCCO 2230a_100000702820_100000766143 [0,1,0,1,0,0|1,0,0]=3 28206 B12R1.62 CC1CN(C1)CCCCCCO 269982a_100000702820_100000766143 [0,1,0,1,0,0|1,0,0]=3 28207 B12R1.62 CC1CN(C1)CCCCCCO 34a_100000702820_100000766143 [0,1,0,1,0,0|1,0,0]=3 28208 B12R1.62 CCCCCCCN1CC(C1)C 2230a_100000702820_100000210681 [0,1,0,1,0,0|2,0,0]=4 28209 B12R1.62 CCCCCCCN1CC(C1)C 269982a_100000702820_100000210681 [0,1,0,1,0,0|2,0,0]=4 28210 B12R1.62 CCCCCCCN1CC(C1)C 34a_100000702820_100000210614 [0,1,0,1,0,0|2,0,0]=4 28211 B12R1.62 CCCCCCCN1CC(C1)F 2230a_100000690557_100000210681 [0,1,0,1,0,0|2,0,0]=4 28212 B12R1.62 CCCCCCCN1CC(C1)F 269982a_100000690557_100000210681 [0,1,0,1,0,0|2,0,0]=4 28213 B12R1.62 CCCCCCCN1CC(C1)F 34a_100000690557_100000210614 [0,1,0,1,0,0|2,0,0]=4 28214 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,1,0,1,0,0|1,0,0]=3 28215 B12R1.62 CCCCCCNC1CC(C1)F 2230a_100016993743_100000210314 [0,1,0,1,0,0|2,0,0]=4 28216 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210314 [0,1,0,1,0,0|1,0,0]=3 28217 B12R1.62 CCCCCNCC1CC(C1)O 2230a_100016992100_100000210326 [0,1,0,1,0,0|1,0,0]=3 28218 B12R1.62 CCCCCOCC1CC(C1)Cl 34a_100009874164_100000718602 [0,1,0,1,0,0|2,0,0]=4 28219 B12R1.62 CCCCOCCN1CC(C1)O 269982a_100000749847_100000743108 [0,1,0,1,0,0|2,0,0]=4 28220 B12R1.62 CCCCOCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011995733 [0,1,0,1,0,0|2,0,0]=4 28221 B12R1.62 CCCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215938 [0,1,0,1,0,0|2,0,0]=4 28222 B12R1.62 CCOCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100012232248 [0,1,0,1,0,0|2,0,0]=4 28223 B12R1.62 CCOCCNCC1CC(C1)O 2230a_100016992100_100011215890 [0,1,0,1,0,0|2,0,0]=4 28224 B12R1.62 CCSCCNCC1CC(C1)O 2230a_100016992100_100000757381 [0,1,0,1,0,0|2,0,0]=4 28225 B12R1.62 COCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000730899 [0,1,0,1,0,0|2,0,0]=4 28226 B12R1.62 COCCCNCC1CC(C1)O 2230a_100016992100_100000740836 [0,1,0,1,0,0|2,0,0]=4 28227 B12R1.62 FCCCCCCN1CC(C1)F 2230a_100000690557_100015922095 [0,1,0,1,0,0|2,0,0]=4 28228 B12R1.62 FCCCCCCN1CC(C1)F 269982a_100000690557_100015922095 [0,1,0,1,0,0|2,0,0]=4 28229 B12R1.62 FCCCCCCN1CC(C1)F 34a_100000690557_100015922095 [0,1,0,1,0,0|2,0,0]=4 28230 B12R1.62 FCCCCCNC1CC(C1)F 2230a_100016993743_100000729378 [0,1,0,1,0,0|2,0,0]=4 28231 B12R1.62 FCCCCOCC1CC(C1)Cl 34a_100009874164_100000729493 [0,1,0,1,0,0|2,0,0]=4 28232 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,1,0,1,0,0|1,0,1]=4 28233 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,1,0,1,0,0|1,0,1]=4 28234 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,1,0,1,0,0|1,0,1]=4 28235 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,1,0,1,0,0|1,0,1]=4 28236 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,1,0,1,0,0|1,0,1]=4 28237 B12R1.62 OC1CC(C1)CNCCCCF 2230a_100016992100_100000729493 [0,1,0,1,0,0|2,0,0]=4 28238 B12R1.62 OC1CN(C1)CCCCCCF 269982a_100000749847_100015922095 [0,1,0,1,0,0|2,0,0]=4 28239 B12R1.62 OCCCCCCN1CC(C1)F 2230a_100000690557_100000766143 [0,1,0,1,0,0|1,0,0]=3 28240 B12R1.62 OCCCCCCN1CC(C1)F 269982a_100000690557_100000766143 [0,1,0,1,0,0|1,0,0]=3 28241 B12R1.62 OCCCCCCN1CC(C1)F 34a_100000690557_100000766143 [0,1,0,1,0,0|1,0,0]=3 28242 B12R1.62 OCCCCCCN1CC(C1)O 269982a_100000749847_100000766143 [0,1,0,1,0,0|1,0,0]=3 28243 B12R1.62 OCCCCCNC1CC(C1)F 2230a_100016993743_100000746330 [0,1,0,1,0,0|1,0,0]=3 28244 B12R1.62 OCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000746330 [0,1,0,1,0,0|1,0,0]=3 28245 B12R1.62 OCCCCNCC1CC(C1)O 2230a_100016992100_100000210776 [0,1,0,1,0,0|1,0,0]=3 28246 B12R1.62 OCCCCOCC1CC(C1)Cl 34a_100009874164_100011216708 [0,1,0,1,0,0|1,0,0]=3 28247 B12R1.62 OCCOCCNC1CC(C1)F 2230a_100016993743_100011215305 [0,1,0,1,0,0|2,0,0]=4 28248 B12R1.62 OCCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215305 [0,1,0,1,0,0|2,0,0]=4 28249 B12R1.62 O[C@H]1C[C@@H](C1)NCCCCCF 2230a_100020629032_100000729378 [0,1,0,1,0,0|2,0,0]=4 28250 B12R1.69 CC1CCC(C(C1)C)OCCF 34a_100011539931_100011217306 [0,1,0,1,0,0|2,0,0]=4 28251 B12R1.69 CC1CCC(C(C1)C)OCCF 7a_100011539931_100011217306 [0,1,0,1,0,0|2,0,0]=4 28252 B12R1.69 CC1CCC(C(C1)C)OCCO 34a_100011539931_100000211926 [0,1,0,1,0,0|1,0,0]=3 28253 B12R1.69 CC1CCC(C(C1)C)OCCO 7a_100011539931_100000211926 [0,1,0,1,0,0|1,0,0]=3 28254 B12R1.69 CCCOC1CCC(CC1C)C 34a_100011539931_100000210303 [0,1,0,1,0,0|2,0,0]=4 28255 B12R1.69 CCCOC1CCC(CC1C)C 7a_100011539931_100000210303 [0,1,0,1,0,0|2,0,0]=4 28256 B12R1.69 C[C@H]1CN(CCN1CCCO)C 2230a_100012002466_100000230001 [0,1,0,1,0,0|2,0,0]=4 28257 B12R1.69 C[C@H]1CN(CCN1CCCO)C 269982a_100012002466_100011215043 [0,1,0,1,0,0|2,0,0]=4 28258 B12R1.278 CCCN1CCCC(C1)CCO 2230a_100000752241_100000210303 [0,1,0,1,0,0|1,0,0]=3 28259 B12R1.278 CCCN1CCCC(C1)CCO 269982a_100000752241_100000210303 [0,1,0,1,0,0|1,0,0]=3 28260 B12R1.278 CCCN1CCCC(C1)CCO 34a_100000752241_100000210303 [0,1,0,1,0,0|1,0,0]=3 28261 B12R1.278 CCOC1CCCN(C1)CCO 2230a_100000745229_100000211926 [0,1,0,1,0,0|2,0,0]=4 28262 B12R1.278 CCOC1CCCN(C1)CCO 269982a_100000745229_100000211926 [0,1,0,1,0,0|2,0,0]=4 28263 B12R1.278 CCOC1CCCN(C1)CCO 34a_100000745229_100000211926 [0,1,0,1,0,0|2,0,0]=4 28264 B12R1.278 COCC1CCCN(C1)CCO 2230a_100000755410_100000211926 [0,1,0,1,0,0|2,0,0]=4 28265 B12R1.278 COCC1CCCN(C1)CCO 269982a_100000755410_100000211926 [0,1,0,1,0,0|2,0,0]=4 28266 B12R1.278 COCC1CCCN(C1)CCO 34a_100000755410_100000211926 [0,1,0,1,0,0|2,0,0]=4 28267 B12R1.278 COCN1CCCC(C1)CCO 2230a_100000752241_100000766300 [0,1,0,1,0,0|2,0,0]=4 28268 B12R1.278 COCN1CCCC(C1)CCO 269982a_100000752241_100000766300 [0,1,0,1,0,0|2,0,0]=4 28269 B12R1.278 CSCN1CCCC(C1)CCO 2230a_100000752241_100011218213 [0,1,0,1,0,0|2,0,0]=4 28270 B12R1.278 CSCN1CCCC(C1)CCO 269982a_100000752241_100011218213 [0,1,0,1,0,0|2,0,0]=4 28271 B12R1.278 CSCN1CCCC(C1)CCO 34a_100000752241_100011218213 [0,1,0,1,0,0|2,0,0]=4 28272 B12R1.278 OCCC1CCCN(C1)CCF 2230a_100000752241_100011217306 [0,1,0,1,0,0|2,0,0]=4 28273 B12R1.278 OCCC1CCCN(C1)CCF 269982a_100000752241_100011217306 [0,1,0,1,0,0|2,0,0]=4 28274 B12R1.278 OCCC1CCCN(C1)CCF 34a_100000752241_100011217306 [0,1,0,1,0,0|2,0,0]=4 28275 B12R1.278 OCCC1CCCN(C1)CCO 2230a_100000752241_100000211926 [0,1,0,1,0,0|2,0,0]=4 28276 B12R1.278 OCCC1CCCN(C1)CCO 269982a_100000752241_100000211926 [0,1,0,1,0,0|2,0,0]=4 28277 B12R1.278 OCCC1CCCN(C1)CCO 34a_100000752241_100000211926 [0,1,0,1,0,0|2,0,0]=4 28278 B12R1.308 CC(CCO)N1CCCCC1C 2230a_100000211376_100009893172 [0,1,0,1,0,0|1,0,0]=3 28279 B12R1.308 CC(CCO)N1CCCCC1C 269982a_100000211376_100009893172 [0,1,0,1,0,0|1,0,0]=3 28280 B12R1.308 CC(CCO)N1CCCCC1C 34a_100000211376_100009893172 [0,1,0,1,0,0|1,0,0]=3 28281 B12R1.308 CC(CCO)N1CCOC[C@@H]1C 2230a_100009815349_100009893172 [0,1,0,1,0,0|2,0,0]=4 28282 B12R1.308 CC(CCO)N1CCOC[C@@H]1C 269982a_100009815349_100009893172 [0,1,0,1,0,0|2,0,0]=4 28283 B12R1.308 CC(CCO)N1CCOC[C@@H]1C 34a_100009815349_100009893172 [0,1,0,1,0,0|2,0,0]=4 28284 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|1,0,1]=4 28285 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|0,0,1]=3 28286 B12R1.308 CC1CCCCC1N(C)CCO 270004a_100000210263_100000210921 [0,1,0,1,0,0|1,0,0]=3 28287 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,1,0,1,0,0|1,0,1]=4 28288 B12R1.308 CC1CNCCC1N(C)CCO 270004a_100000210263_100000703950 [0,1,0,1,0,0|2,0,0]=4 28289 B12R1.308 CC1COCCC1N(C)CCO 270004a_100000210263_100000755695 [0,1,0,1,0,0|2,0,0]=4 28290 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|1,0,1]=4 28291 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|0,0,1]=3 28292 B12R1.308 CCCC(C)N1CCCCC1C 2230a_100000211376_100000766640 [0,1,0,1,0,0|2,0,0]=4 28293 B12R1.308 CCCC(C)N1CCCCC1C 269982a_100000211376_100000766640 [0,1,0,1,0,0|2,0,0]=4 28294 B12R1.308 CCCC(C)N1CCCCC1C 270004a_100000211376_100000211909 [0,1,0,1,0,0|2,0,0]=4 28295 B12R1.308 CCCC(C)N1CCCCC1C 34a_100000211376_100000766640 [0,1,0,1,0,0|2,0,0]=4 28296 B12R1.308 CCCN(C)C1CCCCC1C 270004a_100000747261_100000210921 [0,1,0,1,0,0|2,0,0]=4 28297 B12R1.308 CCCN(C)C1CCCCC1F 269982a_100000747261_100015423560 [0,1,0,1,0,0|2,0,0]=4 28298 B12R1.308 CCCN(C)C1CCCCC1O 269982a_100000747261_100000038908 [0,1,0,1,0,0|1,0,0]=3 28299 B12R1.308 CCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000210303 [0,1,0,1,0,0|1,0,0]=3 28300 B12R1.308 CN(CCF)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100011217306 [0,1,0,1,0,0|2,0,0]=4 28301 B12R1.308 CN(CCO)C1CCCCC1F 269982a_100000210263_100015423560 [0,1,0,1,0,0|2,0,0]=4 28302 B12R1.308 CN(CCO)C1CCCCC1O 269982a_100000210263_100000038908 [0,1,0,1,0,0|2,0,0]=4 28303 B12R1.308 CN(CCO)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000211926 [0,1,0,1,0,0|2,0,0]=4 28304 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,1,0,1,0,0|1,0,1]=4 28305 B12R1.308 COCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000766300 [0,1,0,1,0,0|2,0,0]=4 28306 B12R1.308 CSCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100011218213 [0,1,0,1,0,0|2,0,0]=4 28307 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|1,0,1]=4 28308 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|1,0,1]=4 28309 B12R1.310 CC(CCBr)OCCCC1CO1 34a_100012276601_100000733510 [0,1,0,1,0,0|2,0,0]=4 28310 B12R1.310 CC(CCN)COCCC1CC1 34a_106354213184_100000694398 [0,1,0,1,0,0|2,0,0]=4 28311 B12R1.310 CC(CCN)COCCC1CO1 34a_106354213184_100000732470 [0,1,0,1,0,0|2,0,0]=4 28312 B12R1.310 CC(CCO)OCCNC1CC1 34a_100000738766_100009893172 [0,1,0,1,0,0|2,0,0]=4 28313 B12R1.310 CC(CCO)SCCCC1CO1 62a_100000733510_100009893172 [0,1,0,1,0,0|2,0,0]=4 28314 B12R1.310 CC(CCO)SCCCC1CO1 62a_100009893172_100000733510 [0,1,0,1,0,0|2,0,0]=4 28315 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,1,0,1,0,0|1,0,1]=4 28316 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,1,0,1,0,0|1,0,1]=4 28317 B12R1.310 CCCC(C)CCCOC1CC1 34a_100011713154_100000211595 [0,1,0,1,0,0|2,0,0]=4 28318 B12R1.310 CCCC(C)CCOCC1CC1 34a_100011217855_100000742324 [0,1,0,1,0,0|2,0,0]=4 28319 B12R1.310 CCCC(C)CCOCC1CC1 7a_100011217855_100000742324 [0,1,0,1,0,0|2,0,0]=4 28320 B12R1.310 CCCC(C)CCOCC1CO1 34a_100011217855_102125554688 [0,1,0,1,0,0|1,0,0]=3 28321 B12R1.310 CCCC(C)CCOCC1CO1 7a_100011217855_102125554688 [0,1,0,1,0,0|1,0,0]=3 28322 B12R1.310 CCCC(C)CCOCC1CS1 7a_100011217855_100000031435 [0,1,0,1,0,0|1,1,0]=4 28323 B12R1.310 CCCC(C)CCOC[C@@H]1CO1 7a_100011217855_100000745022 [0,1,0,1,0,0|1,0,0]=3 28324 B12R1.310 CCCC(C)CNCCC1CC1 270004a_100000764129_100000243154 [0,1,0,1,0,0|2,0,0]=4 28325 B12R1.310 CCCC(C)CNCCC1CC1 34a_100000764129_100011216630 [0,1,0,1,0,0|2,0,0]=4 28326 B12R1.310 CCCC(C)COCCC1CC1 34a_100000688023_100000694398 [0,1,0,1,0,0|2,0,0]=4 28327 B12R1.310 CCCC(C)COCCC1CC1 34a_100000754188_100011216630 [0,1,0,1,0,0|2,0,0]=4 28328 B12R1.310 CCCC(C)COCCC1CC1 7a_100000688023_100000764125 [0,1,0,1,0,0|2,0,0]=4 28329 B12R1.310 CCCC(C)COCCC1CC1 7a_100000754188_100011216630 [0,1,0,1,0,0|2,0,0]=4 28330 B12R1.310 CCCC(C)COCCC1CO1 34a_100000688023_100000732470 [0,1,0,1,0,0|1,0,0]=3 28331 B12R1.310 CCCC(C)COCCC1CO1 7a_100000688023_100000732470 [0,1,0,1,0,0|1,0,0]=3 28332 B12R1.310 CCCC(C)COCC[C@@H]1CO1 34a_100009820653_100011216630 [0,1,0,1,0,0|1,0,0]=3 28333 B12R1.310 CCCC(C)CSCCC1CC1 62a_100000764125_100011216630 [0,1,0,1,0,0|2,0,0]=4 28334 B12R1.310 CCCC(C)CSCCC1CC1 62a_100011216630_100000764125 [0,1,0,1,0,0|2,0,0]=4 28335 B12R1.310 CCCC(C)CSCCC1CO1 62a_100000732470_100011216630 [0,1,0,1,0,0|1,0,0]=3 28336 B12R1.310 CCCC(C)CSCCC1CO1 62a_100011216630_100000732470 [0,1,0,1,0,0|1,0,0]=3 28337 B12R1.310 CCCC(C)NCCCC1CO1 2230a_100000741246_100000733510 [0,1,0,1,0,0|1,0,0]=3 28338 B12R1.310 CCCC(C)OCCCC1CO1 34a_100000764384_100000733510 [0,1,0,1,0,0|1,0,0]=3 28339 B12R1.310 CCCC(C)OCCCC1CO1 7a_100000764384_100000733510 [0,1,0,1,0,0|1,0,0]=3 28340 B12R1.310 CCCC(C)SCCCC1CO1 62a_100000733510_100000766640 [0,1,0,1,0,0|1,0,0]=3 28341 B12R1.310 CCCC(C)SCCCC1CO1 62a_100000766640_100000733510 [0,1,0,1,0,0|1,0,0]=3 28342 B12R1.310 CCC[C@H](N)CCOCC1CC1 34a_100015193777_100000742324 [0,1,0,1,0,0|2,0,0]=4 28343 B12R1.310 CCC[C@H](N)CCOCC1CO1 34a_100015193777_102125554688 [0,1,0,1,0,0|1,0,0]=3 28344 B12R1.310 CCC[C@H](N)COCCC1CC1 34a_100000732646_100000694398 [0,1,0,1,0,0|2,0,0]=4 28345 B12R1.310 CCC[C@H](N)COCCC1CO1 34a_100000732646_100000732470 [0,1,0,1,0,0|1,0,0]=3 28346 B12R1.310 COCC(C)SCCCC1CO1 62a_100000733510_100000765312 [0,1,0,1,0,0|2,0,0]=4 28347 B12R1.310 COCC(C)SCCCC1CO1 62a_100000765312_100000733510 [0,1,0,1,0,0|2,0,0]=4 28348 B12R1.310 COCC(N)COCCC1CO1 34a_100000724102_100000732470 [0,1,0,1,0,0|2,0,0]=4 28349 B12R1.310 COCC(O)CNCCC1CO1 2230a_100000756049_100000732470 [0,1,0,1,0,0|2,0,0]=4 28350 B12R1.310 COCC(O)CNCCC1CO1 34a_100000756049_100000732470 [0,1,0,1,0,0|2,0,0]=4 28351 B12R1.310 COCC(O)COCC[C@@H]1CO1 34a_100009820653_100011215053 [0,1,0,1,0,0|2,0,0]=4 28352 B12R1.310 COCC(O)CSCCC1CO1 62a_100000732470_100011215053 [0,1,0,1,0,0|2,0,0]=4 28353 B12R1.310 COCC(O)CSCCC1CO1 62a_100011215053_100000732470 [0,1,0,1,0,0|2,0,0]=4 28354 B12R1.310 COC[C@@H](C)NCCCC1CO1 2230a_100000764878_100000733510 [0,1,0,1,0,0|2,0,0]=4 28355 B12R1.310 COC[C@@H](C)OCCCC1CO1 34a_100011934205_100000733510 [0,1,0,1,0,0|2,0,0]=4 28356 B12R1.310 C[C@H](CCO)NCCCC1CO1 2230a_100000706166_100000733510 [0,1,0,1,0,0|2,0,0]=4 28357 B12R1.310 C[C@H](CCO)NCCCC1CO1 34a_100000706166_100000733510 [0,1,0,1,0,0|2,0,0]=4 28358 B12R1.315 CC(CCN)COCC1CCC1 34a_106354213184_100000763275 [0,1,0,1,0,0|2,0,0]=4 28359 B12R1.315 CC(CCN)COCC1CCO1 34a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 28360 B12R1.315 CC(CCO)OCCC1COC1 34a_100009855314_100009893172 [0,1,0,1,0,0|2,0,0]=4 28361 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,1,0,1,0,0|1,0,1]=4 28362 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,1,0,1,0,0|1,0,1]=4 28363 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,1,0,1,0,0|1,0,1]=4 28364 B12R1.315 CCCC(C)CCOC1CCC1 34a_100011217855_100000749161 [0,1,0,1,0,0|2,0,0]=4 28365 B12R1.315 CCCC(C)CNCC1CCC1 2230a_100000738700_100011216630 [0,1,0,1,0,0|2,0,0]=4 28366 B12R1.315 CCCC(C)CNCC1CCC1 270004a_100000738700_100000243154 [0,1,0,1,0,0|2,0,0]=4 28367 B12R1.315 CCCC(C)CNCC1CCC1 34a_100000738700_100011216630 [0,1,0,1,0,0|2,0,0]=4 28368 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100011216630 [0,1,0,1,0,0|1,0,0]=3 28369 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243154 [0,1,0,1,0,0|1,0,0]=3 28370 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 34a_100020831831_100011216630 [0,1,0,1,0,0|1,0,0]=3 28371 B12R1.315 CCCC(C)COCC1CCC1 34a_100000688023_100000763275 [0,1,0,1,0,0|2,0,0]=4 28372 B12R1.315 CCCC(C)COCC1CCC1 34a_100000760304_100011216630 [0,1,0,1,0,0|2,0,0]=4 28373 B12R1.315 CCCC(C)COCC1CCC1 7a_100000688023_100000763275 [0,1,0,1,0,0|2,0,0]=4 28374 B12R1.315 CCCC(C)COCC1CCO1 34a_100000039022_100011216630 [0,1,0,1,0,0|1,0,0]=3 28375 B12R1.315 CCCC(C)COCC1CCO1 34a_100000688023_100000103362 [0,1,0,1,0,0|1,0,0]=3 28376 B12R1.315 CCCC(C)COCC1CCO1 7a_100000688023_100000103362 [0,1,0,1,0,0|1,0,0]=3 28377 B12R1.315 CCCC(C)CSCC1CCC1 62a_100000763275_100011216630 [0,1,0,1,0,0|2,0,0]=4 28378 B12R1.315 CCCC(C)CSCC1CCC1 62a_100011216630_100000763275 [0,1,0,1,0,0|2,0,0]=4 28379 B12R1.315 CCCC(C)CSCC1CCO1 62a_100000103362_100011216630 [0,1,0,1,0,0|1,0,0]=3 28380 B12R1.315 CCCC(C)CSCC1CCO1 62a_100011216630_100000103362 [0,1,0,1,0,0|1,0,0]=3 28381 B12R1.315 CCC[C@H](N)CCOC1CCC1 34a_100015193777_100000749161 [0,1,0,1,0,0|2,0,0]=4 28382 B12R1.315 CCC[C@H](N)COCC1CCC1 34a_100000732646_100000763275 [0,1,0,1,0,0|2,0,0]=4 28383 B12R1.315 CCC[C@H](N)COCC1CCO1 34a_100000732646_100000103362 [0,1,0,1,0,0|1,0,0]=3 28384 B12R1.315 COCC(N)COCC1CCO1 34a_100000724102_100000103362 [0,1,0,1,0,0|2,0,0]=4 28385 B12R1.315 COCC(O)CNCC1CCO1 2230a_100000756049_100000103362 [0,1,0,1,0,0|2,0,0]=4 28386 B12R1.315 COCC(O)CNCC1CCO1 34a_100000756049_100000103362 [0,1,0,1,0,0|2,0,0]=4 28387 B12R1.315 COCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011215053 [0,1,0,1,0,0|2,0,0]=4 28388 B12R1.315 COCC(O)COCC1CCO1 34a_100000039022_100011215053 [0,1,0,1,0,0|2,0,0]=4 28389 B12R1.315 COCC(O)CSCC1CCO1 62a_100000103362_100011215053 [0,1,0,1,0,0|2,0,0]=4 28390 B12R1.315 COCC(O)CSCC1CCO1 62a_100011215053_100000103362 [0,1,0,1,0,0|2,0,0]=4 28391 B12R1.316 CC(CCO)N1CCC[C@@H]1CO 2230a_100000745186_100009893172 [0,1,0,1,0,0|2,0,0]=4 28392 B12R1.316 CC(CCO)N1CCC[C@@H]1CO 269982a_100000745186_100009893172 [0,1,0,1,0,0|2,0,0]=4 28393 B12R1.316 CC(CCO)N1CCC[C@@H]1CO 34a_100000745186_100009893172 [0,1,0,1,0,0|2,0,0]=4 28394 B12R1.316 CCC1CCCC1N(C)CCO 270004a_100000210263_100000749056 [0,1,0,1,0,0|1,0,0]=3 28395 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,1,0,1,0,0|1,0,1]=4 28396 B12R1.316 CCC1CCCN1C(C)CCO 2230a_100000754278_100009893172 [0,1,0,1,0,0|1,0,0]=3 28397 B12R1.316 CCC1CCCN1C(C)CCO 269982a_100000754278_100009893172 [0,1,0,1,0,0|1,0,0]=3 28398 B12R1.316 CCC1CCCN1C(C)CCO 34a_100000754278_100009893172 [0,1,0,1,0,0|1,0,0]=3 28399 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,1,0,1,0,0|1,0,1]=4 28400 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,1,0,1,0,0|1,0,1]=4 28401 B12R1.316 CCCC(C)N1CCCC1CC 2230a_100000754278_100000766640 [0,1,0,1,0,0|2,0,0]=4 28402 B12R1.316 CCCC(C)N1CCCC1CC 269982a_100000754278_100000766640 [0,1,0,1,0,0|2,0,0]=4 28403 B12R1.316 CCCC(C)N1CCCC1CC 270004a_100000754278_100000211909 [0,1,0,1,0,0|2,0,0]=4 28404 B12R1.316 CCCC(C)N1CCCC1CC 34a_100000754278_100000766640 [0,1,0,1,0,0|2,0,0]=4 28405 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000766640 [0,1,0,1,0,0|1,0,0]=3 28406 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000766640 [0,1,0,1,0,0|1,0,0]=3 28407 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100000211909 [0,1,0,1,0,0|1,0,0]=3 28408 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 34a_100000745186_100000766640 [0,1,0,1,0,0|1,0,0]=3 28409 B12R1.316 CCCN(C)C1CCCC1CC 270004a_100000747261_100000749056 [0,1,0,1,0,0|2,0,0]=4 28410 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,1,0,1,0,0|1,0,1]=4 28411 B12R1.316 COCC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000765312 [0,1,0,1,0,0|2,0,0]=4 28412 B12R1.316 COCC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000765312 [0,1,0,1,0,0|2,0,0]=4 28413 B12R1.316 COCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100000749346 [0,1,0,1,0,0|2,0,0]=4 28414 B12R1.316 COCC(C)N1CCC[C@@H]1CO 34a_100000745186_100000765312 [0,1,0,1,0,0|2,0,0]=4 28415 B12R1.316 CSCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100011216314 [0,1,0,1,0,0|2,0,0]=4 28416 B12R1.318 CC(CCO)OC1CCCC1C 34a_100011216460_100009893172 [0,1,0,1,0,0|1,0,0]=3 28417 B12R1.318 CC(CCO)OC1CCCC1C 7a_100011216460_100009893172 [0,1,0,1,0,0|1,0,0]=3 28418 B12R1.318 CC(CCO)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009893172 [0,1,0,1,0,0|2,0,0]=4 28419 B12R1.318 CC(CCO)O[C@H]1CCC[C@@H]1N 34a_100000748460_100009893172 [0,1,0,1,0,0|2,0,0]=4 28420 B12R1.318 CC(CCO)O[C@H]1CNC[C@H]1C 34a_200015306588_100009893172 [0,1,0,1,0,0|2,0,0]=4 28421 B12R1.318 CC(CCO)S[C@@H]1CCC[C@H]1O 62a_100009893172_200016002552 [0,1,0,1,0,0|2,0,0]=4 28422 B12R1.318 CC(CCO)S[C@@H]1CCC[C@H]1O 62a_200016002552_100009893172 [0,1,0,1,0,0|2,0,0]=4 28423 B12R1.318 CC1CCCC1N[C@H](C)CCO 269862a_100000706166_100000752053 [0,1,0,1,0,0|1,0,0]=3 28424 B12R1.318 CC1OCCC1N[C@H](C)CCO 270004a_100000706166_100000691750 [0,1,0,1,0,0|2,0,0]=4 28425 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211992 [0,1,0,1,0,0|1,0,1]=4 28426 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211992 [0,1,0,1,0,0|1,0,1]=4 28427 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100011216630 [0,1,0,1,0,0|2,0,0]=4 28428 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100011216630 [0,1,0,1,0,0|2,0,0]=4 28429 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243154 [0,1,0,1,0,0|2,0,0]=4 28430 B12R1.318 CCCC(C)CN1CCC[C@H]1C 2230a_100015189458_100011216630 [0,1,0,1,0,0|2,0,0]=4 28431 B12R1.318 CCCC(C)CN1CCC[C@H]1C 269982a_100015189458_100011216630 [0,1,0,1,0,0|2,0,0]=4 28432 B12R1.318 CCCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243154 [0,1,0,1,0,0|2,0,0]=4 28433 B12R1.318 CCCC(C)CN1CCC[C@H]1C 34a_100015189458_100011216630 [0,1,0,1,0,0|2,0,0]=4 28434 B12R1.318 CCCC(C)NC1CCCC1C 269862a_100000741246_100000752053 [0,1,0,1,0,0|2,0,0]=4 28435 B12R1.318 CCCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100000211909 [0,1,0,1,0,0|1,0,0]=3 28436 B12R1.318 CCCC(C)N[C@H]1COC[C@@H]1O 2230a_100015191717_100000766640 [0,1,0,1,0,0|2,0,0]=4 28437 B12R1.318 CCCC(C)N[C@H]1COC[C@@H]1O 270004a_100015191717_100000211909 [0,1,0,1,0,0|2,0,0]=4 28438 B12R1.318 CCCC(C)OC1CCCC1C 34a_100011216460_100000766640 [0,1,0,1,0,0|2,0,0]=4 28439 B12R1.318 CCCC(C)OC1CCCC1C 7a_100011216460_100000766640 [0,1,0,1,0,0|2,0,0]=4 28440 B12R1.318 CCCC(C)OC1COCC1O 34a_100000764384_200000725654 [0,1,0,1,0,0|2,0,0]=4 28441 B12R1.318 CCCC(C)OC1COCC1O 7a_100000764384_200000725654 [0,1,0,1,0,0|2,0,0]=4 28442 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000766640 [0,1,0,1,0,0|2,0,0]=4 28443 B12R1.318 CCCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000766640 [0,1,0,1,0,0|2,0,0]=4 28444 B12R1.318 CCCC(C)SC1COCC1O 62a_100000766640_200000725654 [0,1,0,1,0,0|2,0,0]=4 28445 B12R1.318 CCCC(C)SC1COCC1O 62a_200000725654_100000766640 [0,1,0,1,0,0|2,0,0]=4 28446 B12R1.318 CCCC(C)S[C@@H]1CCC[C@H]1O 62a_100000766640_200016002552 [0,1,0,1,0,0|1,0,0]=3 28447 B12R1.318 CCCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000766640 [0,1,0,1,0,0|1,0,0]=3 28448 B12R1.318 COCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100000749346 [0,1,0,1,0,0|2,0,0]=4 28449 B12R1.318 COCC(C)S[C@@H]1CCC[C@H]1O 62a_100000765312_200016002552 [0,1,0,1,0,0|2,0,0]=4 28450 B12R1.318 COCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000765312 [0,1,0,1,0,0|2,0,0]=4 28451 B12R1.318 CSCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100011216314 [0,1,0,1,0,0|2,0,0]=4 28452 B12R1.340 CCCC1CCC(C1)NCCO 270004a_100000210304_200012087856 [0,1,0,1,0,0|1,0,0]=3 28453 B12R1.340 CCCCN1CCC(C1)CCO 2230a_100016987287_100000210211 [0,1,0,1,0,0|1,0,0]=3 28454 B12R1.340 CCCCN1CCC(C1)CCO 269982a_100016987287_100000210211 [0,1,0,1,0,0|1,0,0]=3 28455 B12R1.340 CCCCN1CCC(C1)CCO 34a_100016987287_100000210210 [0,1,0,1,0,0|1,0,0]=3 28456 B12R1.340 CCCNC1CCC(C1)CCC 270004a_100020643023_200012087856 [0,1,0,1,0,0|2,0,0]=4 28457 B12R1.340 CCOCN1CCC(C1)CCO 269982a_100016987287_100000739092 [0,1,0,1,0,0|2,0,0]=4 28458 B12R1.340 CCO[C@H]1CCN(C1)CCCO 2230a_100011787710_100000230001 [0,1,0,1,0,0|2,0,0]=4 28459 B12R1.340 CCO[C@H]1CCN(C1)CCCO 269982a_100011787710_100011215043 [0,1,0,1,0,0|2,0,0]=4 28460 B12R1.340 CCO[C@H]1CCN(C1)CCCO 34a_100011787710_100000230001 [0,1,0,1,0,0|2,0,0]=4 28461 B12R1.340 COCC1CCN(C1)CCCO 2230a_100025706693_100000230001 [0,1,0,1,0,0|2,0,0]=4 28462 B12R1.340 COCC1CCN(C1)CCCO 269982a_100025706693_100011215043 [0,1,0,1,0,0|2,0,0]=4 28463 B12R1.340 COCC1CCN(C1)CCCO 34a_100025706693_100000230001 [0,1,0,1,0,0|2,0,0]=4 28464 B12R1.340 COCCN1CCC(C1)CCO 2230a_100016987287_100011201679 [0,1,0,1,0,0|2,0,0]=4 28465 B12R1.340 COCCN1CCC(C1)CCO 269982a_100016987287_100000233755 [0,1,0,1,0,0|2,0,0]=4 28466 B12R1.340 COCCN1CCC(C1)CCO 34a_100016987287_100011201679 [0,1,0,1,0,0|2,0,0]=4 28467 B12R1.340 CSCCN1CCC(C1)CCO 2230a_100016987287_100000751147 [0,1,0,1,0,0|2,0,0]=4 28468 B12R1.340 CSCCN1CCC(C1)CCO 269982a_100016987287_100000212216 [0,1,0,1,0,0|2,0,0]=4 28469 B12R1.340 CSCCN1CCC(C1)CCO 34a_100016987287_100000212216 [0,1,0,1,0,0|2,0,0]=4 28470 B12R1.340 OCCC1CCN(C1)CCCF 2230a_100016987287_100011934791 [0,1,0,1,0,0|2,0,0]=4 28471 B12R1.340 OCCC1CCN(C1)CCCF 269982a_100016987287_100011934791 [0,1,0,1,0,0|2,0,0]=4 28472 B12R1.340 OCCC1CCN(C1)CCCF 34a_100016987287_100011934791 [0,1,0,1,0,0|2,0,0]=4 28473 B12R1.340 OCCCN1CCC(C1)CCO 2230a_100016987287_100000230001 [0,1,0,1,0,0|2,0,0]=4 28474 B12R1.340 OCCCN1CCC(C1)CCO 269982a_100016987287_100011215043 [0,1,0,1,0,0|2,0,0]=4 28475 B12R1.340 OCCCN1CCC(C1)CCO 34a_100016987287_100000230001 [0,1,0,1,0,0|2,0,0]=4 28476 B12R1.348 CC1CCCN(CC1)CCCF 2230a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 28477 B12R1.348 CC1CCCN(CC1)CCCF 269982a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 28478 B12R1.348 CC1CCCN(CC1)CCCF 34a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 28479 B12R1.348 CC1CCCN(CC1)CCCO 2230a_100025706717_100000230001 [0,1,0,1,0,0|1,0,0]=3 28480 B12R1.348 CC1CCCN(CC1)CCCO 269982a_100025706717_100011215043 [0,1,0,1,0,0|1,0,0]=3 28481 B12R1.348 CC1CCCN(CC1)CCCO 34a_100025706717_100000230001 [0,1,0,1,0,0|1,0,0]=3 28482 B12R1.348 CCCCN1CCCC(CC1)C 2230a_100025706717_100000210211 [0,1,0,1,0,0|2,0,0]=4 28483 B12R1.348 CCCCN1CCCC(CC1)C 269982a_100025706717_100000210211 [0,1,0,1,0,0|2,0,0]=4 28484 B12R1.348 CCCCN1CCCC(CC1)C 34a_100025706717_100000210210 [0,1,0,1,0,0|2,0,0]=4 28485 B12R1.348 CCCCN1CCCC(CC1)O 2230a_100015186869_100000210211 [0,1,0,1,0,0|2,0,0]=4 28486 B12R1.348 CCCCN1CCCC(CC1)O 269982a_100015186869_100000210211 [0,1,0,1,0,0|2,0,0]=4 28487 B12R1.348 CN1CCCN(CC1)CCCO 2230a_100000211313_100000230001 [0,1,0,1,0,0|2,0,0]=4 28488 B12R1.348 CN1CCCN(CC1)CCCO 269982a_100000211313_100011215043 [0,1,0,1,0,0|2,0,0]=4 28489 B12R1.348 OC1CCCN(CC1)CCCF 2230a_100015186869_100011934791 [0,1,0,1,0,0|2,0,0]=4 28490 B12R1.348 OC1CCCN(CC1)CCCF 269982a_100015186869_100011934791 [0,1,0,1,0,0|2,0,0]=4 28491 B12R1.348 OCCCN1CCCC(CC1)O 2230a_100015186869_100000230001 [0,1,0,1,0,0|1,0,0]=3 28492 B12R1.348 OCCCN1CCCC(CC1)O 269982a_100015186869_100011215043 [0,1,0,1,0,0|1,0,0]=3 28493 B12R1.535 COCC1CCN1C(C)CCO 2230a_100015195929_100009893172 [0,1,0,1,0,0|2,0,0]=4 28494 B12R1.535 COCC1CCN1C(C)CCO 269982a_100015195929_100009893172 [0,1,0,1,0,0|2,0,0]=4 28495 B12R1.535 COCC1CCN1C(C)CCO 34a_100015195929_100009893172 [0,1,0,1,0,0|2,0,0]=4 28496 B12R1.923 CC(NCCCCCF)C1CC1 2230a_100000700016_100000729378 [0,1,0,1,0,0|2,0,0]=4 28497 B12R1.923 CC(NCCCCCF)C1CC1 34a_100000700016_100000729378 [0,1,0,1,0,0|2,0,0]=4 28498 B12R1.923 CC(NCCCCCO)C1CC1 2230a_100000700016_100000746330 [0,1,0,1,0,0|1,0,0]=3 28499 B12R1.923 CC(NCCCCCO)C1CC1 269862a_100000762737_100000210639 [0,1,0,1,0,0|1,0,0]=3 28500 B12R1.923 CC(NCCCCCO)C1CC1 34a_100000700016_100000746330 [0,1,0,1,0,0|1,0,0]=3 28501 B12R1.923 CC(NCCCCCO)C1CO1 270004a_100000762737_100000031964 [0,1,0,1,0,0|2,0,0]=4 28502 B12R1.923 CC(NCCOCCO)C1CC1 2230a_100000700016_100011215305 [0,1,0,1,0,0|2,0,0]=4 28503 B12R1.923 CC(NCCOCCO)C1CC1 269862a_100000211614_100000210639 [0,1,0,1,0,0|2,0,0]=4 28504 B12R1.923 CC(NCCOCCO)C1CC1 34a_100000700016_100000692535 [0,1,0,1,0,0|2,0,0]=4 28505 B12R1.923 CC(NCCSCCO)C1CC1 269862a_100011219999_100000210639 [0,1,0,1,0,0|2,0,0]=4 28506 B12R1.923 CC(OCCCCCF)C1CC1 34a_100000744524_100000729378 [0,1,0,1,0,0|2,0,0]=4 28507 B12R1.923 CC(OCCCCCF)C1CC1 7a_100000744524_100000729378 [0,1,0,1,0,0|2,0,0]=4 28508 B12R1.923 CC(OCCCCCO)C1CC1 34a_100000744524_100000746330 [0,1,0,1,0,0|1,0,0]=3 28509 B12R1.923 CC(OCCCCCO)C1CC1 7a_100000744524_100000746330 [0,1,0,1,0,0|1,0,0]=3 28510 B12R1.923 CC(OCCOCCO)C1CC1 34a_100000744524_100000692535 [0,1,0,1,0,0|2,0,0]=4 28511 B12R1.923 CC(OCCOCCO)C1CC1 7a_100000744524_100011215305 [0,1,0,1,0,0|2,0,0]=4 28512 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|1,0,1]=4 28513 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|0,0,1]=3 28514 B12R1.923 CCCCCCCN(C)C1CC1 2230a_100000226674_100000210681 [0,1,0,1,0,0|2,0,0]=4 28515 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000226674_100000210681 [0,1,0,1,0,0|2,0,0]=4 28516 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000228206_100000211595 [0,1,0,1,0,0|2,0,0]=4 28517 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 28518 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 28519 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 28520 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 28521 B12R1.923 CCCCCCNC(C)C1CC1 2230a_100000700016_100000210314 [0,1,0,1,0,0|2,0,0]=4 28522 B12R1.923 CCCCCCNC(C)C1CC1 269862a_100000210581_100000210639 [0,1,0,1,0,0|2,0,0]=4 28523 B12R1.923 CCCCCCNC(C)C1CC1 34a_100000700016_100000210314 [0,1,0,1,0,0|2,0,0]=4 28524 B12R1.923 CCCCCCNC(C)C1CO1 270004a_100000210581_100000031964 [0,1,0,1,0,0|1,0,0]=3 28525 B12R1.923 CCCCCCOC(C)C1CC1 34a_100000744524_100000210314 [0,1,0,1,0,0|2,0,0]=4 28526 B12R1.923 CCCCCCOC(C)C1CC1 7a_100000744524_100000210314 [0,1,0,1,0,0|2,0,0]=4 28527 B12R1.923 CCCCCNCC(O)C1CC1 2230a_100000751198_100000210326 [0,1,0,1,0,0|2,0,0]=4 28528 B12R1.923 CCCCCNCC(O)C1CC1 34a_100000751198_100000718602 [0,1,0,1,0,0|2,0,0]=4 28529 B12R1.923 CCCCCOC[C@H](N)C1CC1 34a_100020623730_100000718602 [0,1,0,1,0,0|2,0,0]=4 28530 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,1,0,1,0,0|1,0,1]=4 28531 B12R1.923 CCCOCCNC(C)C1CO1 270004a_100161115042_100000031964 [0,1,0,1,0,0|2,0,0]=4 28532 B12R1.923 CCCSCCNC(C)C1CO1 270004a_100020603323_100000031964 [0,1,0,1,0,0|2,0,0]=4 28533 B12R1.923 CCOCCCNC(C)C1CO1 270004a_100000210961_100000031964 [0,1,0,1,0,0|2,0,0]=4 28534 B12R1.923 CN(CCCCCCF)C1CC1 2230a_100000226674_100015922095 [0,1,0,1,0,0|2,0,0]=4 28535 B12R1.923 CN(CCCCCCF)C1CC1 269982a_100000226674_100015922095 [0,1,0,1,0,0|2,0,0]=4 28536 B12R1.923 CN(CCCCCCO)C1CC1 2230a_100000226674_100000766143 [0,1,0,1,0,0|1,0,0]=3 28537 B12R1.923 CN(CCCCCCO)C1CC1 269982a_100000226674_100000766143 [0,1,0,1,0,0|1,0,0]=3 28538 B12R1.923 N[C@@H](COCCCCF)C1CC1 34a_100020623730_100000729493 [0,1,0,1,0,0|2,0,0]=4 28539 B12R1.923 N[C@@H](COCCCCO)C1CC1 34a_100020623730_100011216708 [0,1,0,1,0,0|1,0,0]=3 28540 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,1,0,1,0,0|1,0,1]=4 28541 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,1,0,1,0,0|1,0,1]=4 28542 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,1,0,1,0,0|0,0,1]=3 28543 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,1,0,1,0,0|1,0,1]=4 28544 B12R1.923 O=C(CNCCCCO)C1CC1 2230a_100000750430_100000746382 [0,1,0,1,0,0|1,0,1]=4 28545 B12R1.923 O=C(CNCCCCO)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|1,0,1]=4 28546 B12R1.923 O=C(COCCCCO)C1CC1 34a_100000686663_100011216708 [0,1,0,1,0,0|1,0,1]=4 28547 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000210776_100000746382 [0,1,0,1,0,0|1,0,1]=4 28548 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000746382_100000210776 [0,1,0,1,0,0|1,0,1]=4 28549 B12R1.923 O=C(NCCCCCO)C1CC1 240690a_100000762737_100000210395 [0,1,0,1,0,0|1,0,1]=4 28550 B12R1.923 OC(CNCCCCF)C1CC1 2230a_100000751198_100000729493 [0,1,0,1,0,0|2,0,0]=4 28551 B12R1.923 OC(CNCCCCF)C1CC1 34a_100000751198_100000729493 [0,1,0,1,0,0|2,0,0]=4 28552 B12R1.923 OCCCCNCC(O)C1CC1 2230a_100000751198_100000210776 [0,1,0,1,0,0|1,0,0]=3 28553 B12R1.923 OCCCCNCC(O)C1CC1 34a_100000751198_100011216708 [0,1,0,1,0,0|1,0,0]=3 28554 B12R1.1141 CC1CN(CCCN1CCO)C 269982a_100011935175_100000211926 [0,1,0,1,0,0|2,0,0]=4 28555 B12R1.1419 CCOC1CN(C1)CCCCO 269982a_100000732654_100000210776 [0,1,0,1,0,0|2,0,0]=4 28556 B12R1.1419 CCOC1CN(C1)CCCCO 34a_100000732654_100011216708 [0,1,0,1,0,0|2,0,0]=4 28557 B12R1.1419 COCC1CC(C1)NCCCO 2230a_100012180050_100000230001 [0,1,0,1,0,0|2,0,0]=4 28558 B12R1.1419 COCC1CC(C1)NCCCO 270004a_100000182051_100010371266 [0,1,0,1,0,0|2,0,0]=4 28559 B12R1.1419 COCC1CN(C1)CCCCO 2230a_100016993750_100000210776 [0,1,0,1,0,0|2,0,0]=4 28560 B12R1.1419 COCC1CN(C1)CCCCO 269982a_100016993750_100000210776 [0,1,0,1,0,0|2,0,0]=4 28561 B12R1.1419 COCC1CN(C1)CCCCO 34a_100016993750_100011216708 [0,1,0,1,0,0|2,0,0]=4 28562 B12R1.1444 CCCN1CCOCC(C1)CO 2230a_100103147999_100000210303 [0,1,0,1,0,0|2,0,0]=4 28563 B12R1.1444 CCCN1CCOCC(C1)CO 269982a_100103147999_100000210303 [0,1,0,1,0,0|2,0,0]=4 28564 B12R1.1444 CCCN1CCOCC(C1)CO 34a_100103147999_100000210303 [0,1,0,1,0,0|2,0,0]=4 28565 B12R1.1505 CCCC(C)COCC1CC1C 34a_100000744939_100011216630 [0,1,0,1,0,0|2,0,0]=4 28566 B12R1.1505 CCCC(C)COCC1CC1C 7a_100000744939_100011216630 [0,1,0,1,0,0|2,0,0]=4 28567 B12R1.1564 CC(CCO)N1CCCCCC1 2230a_100000185865_100009893172 [0,1,0,1,0,0|1,0,0]=3 28568 B12R1.1564 CC(CCO)N1CCCCCC1 269982a_100000185865_100009893172 [0,1,0,1,0,0|1,0,0]=3 28569 B12R1.1564 CC(CCO)N1CCCCCC1 34a_100000185865_100009893172 [0,1,0,1,0,0|1,0,0]=3 28570 B12R1.1564 CC(CCO)N1CCCOCC1 2230a_100000685342_100009893172 [0,1,0,1,0,0|2,0,0]=4 28571 B12R1.1564 CC(CCO)N1CCCOCC1 269982a_100000685342_100009893172 [0,1,0,1,0,0|2,0,0]=4 28572 B12R1.1564 CC(CCO)N1CCCOCC1 34a_100000685342_100009893172 [0,1,0,1,0,0|2,0,0]=4 28573 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|1,0,1]=4 28574 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|1,0,1]=4 28575 B12R1.1564 CCCC(C)N1CCCCCC1 2230a_100000185865_100000766640 [0,1,0,1,0,0|2,0,0]=4 28576 B12R1.1564 CCCC(C)N1CCCCCC1 269982a_100000185865_100000766640 [0,1,0,1,0,0|2,0,0]=4 28577 B12R1.1564 CCCC(C)N1CCCCCC1 270004a_100000185865_100000211909 [0,1,0,1,0,0|2,0,0]=4 28578 B12R1.1564 CCCC(C)N1CCCCCC1 34a_100000185865_100000766640 [0,1,0,1,0,0|2,0,0]=4 28579 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 28580 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 28581 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100000747261_100011217769 [0,1,0,1,0,0|2,0,0]=4 28582 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 28583 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 28584 B12R1.1564 CCCN(C)C1CCCCCC1 270004a_100000747261_100000210131 [0,1,0,1,0,0|2,0,0]=4 28585 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 28586 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 28587 B12R1.1564 CCCN([13CH3])C1CCCCCC1 2230a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 28588 B12R1.1564 CCCN([13CH3])C1CCCCCC1 269982a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 28589 B12R1.1564 CCCN([13CH3])C1CCCCCC1 34a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 28590 B12R1.1564 CN(CCF)C1CCCCCC1 2230a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 28591 B12R1.1564 CN(CCF)C1CCCCCC1 269982a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 28592 B12R1.1564 CN(CCF)C1CCCCCC1 34a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 28593 B12R1.1564 CN(CCO)C1CCCCCC1 2230a_100015185097_100000211926 [0,1,0,1,0,0|1,0,0]=3 28594 B12R1.1564 CN(CCO)C1CCCCCC1 269982a_100000210263_100011217769 [0,1,0,1,0,0|1,0,0]=3 28595 B12R1.1564 CN(CCO)C1CCCCCC1 269982a_100015185097_100000211926 [0,1,0,1,0,0|1,0,0]=3 28596 B12R1.1564 CN(CCO)C1CCCCCC1 270004a_100000210263_100000210131 [0,1,0,1,0,0|1,0,0]=3 28597 B12R1.1564 CN(CCO)C1CCCCCC1 34a_100015185097_100000211926 [0,1,0,1,0,0|1,0,0]=3 28598 B12R1.1564 CN(CCO)C1CCCNCC1 270004a_100000210263_100015187895 [0,1,0,1,0,0|2,0,0]=4 28599 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|1,0,1]=4 28600 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|0,0,1]=3 28601 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|0,0,1]=3 28602 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,1,0,1,0,0|1,0,1]=4 28603 B12R1.1996 CC1(CCC1)CNCCCCF 2230a_100000706607_100000729493 [0,1,0,1,0,0|2,0,0]=4 28604 B12R1.1996 CC1(CCC1)CNCCCCO 2230a_100000706607_100000210776 [0,1,0,1,0,0|1,0,0]=3 28605 B12R1.1996 CC1(CCC1)CNCCCCO 2230a_100000750430_100000726658 [0,1,0,1,0,0|1,0,0]=3 28606 B12R1.1996 CC1(CCC1)CNCCCCO 34a_100000750430_100000726658 [0,1,0,1,0,0|1,0,0]=3 28607 B12R1.1996 CC1(CCC1)COCCCCBr 34a_100011216708_100000726658 [0,1,0,1,0,0|2,0,0]=4 28608 B12R1.1996 CC1(CCC1)COCCCCCl 34a_100000210776_100000726658 [0,1,0,1,0,0|2,0,0]=4 28609 B12R1.1996 CC1(CCC1)COCCCCCl 7a_100000210776_100000726658 [0,1,0,1,0,0|2,0,0]=4 28610 B12R1.1996 CC1(CCC1)COCCCCF 34a_100011995726_100000726658 [0,1,0,1,0,0|2,0,0]=4 28611 B12R1.1996 CC1(CCC1)COCCCCF 7a_100011995726_100000726658 [0,1,0,1,0,0|2,0,0]=4 28612 B12R1.1996 CC1(CCC1)COCCCCI 34a_200012148704_100000726658 [0,1,0,1,0,0|2,0,0]=4 28613 B12R1.1996 CC1(CCC1)COCCCCN 34a_100000750430_100000726658 [0,1,0,1,0,0|2,0,0]=4 28614 B12R1.1996 CC1(CCC1)CSCCCCF 62a_100000726658_100000729493 [0,1,0,1,0,0|2,0,0]=4 28615 B12R1.1996 CC1(CCC1)CSCCCCF 62a_100000729493_100000726658 [0,1,0,1,0,0|2,0,0]=4 28616 B12R1.1996 CC1(CCC1)CSCCCCO 62a_100000210776_100000726658 [0,1,0,1,0,0|1,0,0]=3 28617 B12R1.1996 CC1(CCC1)CSCCCCO 62a_100000726658_100000210776 [0,1,0,1,0,0|1,0,0]=3 28618 B12R1.1996 CC1(CCC1)NCCCCCF 2230a_100000692455_100000729378 [0,1,0,1,0,0|2,0,0]=4 28619 B12R1.1996 CC1(CCC1)NCCCCCF 34a_100000692455_100000729378 [0,1,0,1,0,0|2,0,0]=4 28620 B12R1.1996 CC1(CCC1)NCCCCCO 2230a_100000692455_100000746330 [0,1,0,1,0,0|1,0,0]=3 28621 B12R1.1996 CC1(CCC1)NCCCCCO 34a_100000692455_100000746330 [0,1,0,1,0,0|1,0,0]=3 28622 B12R1.1996 CC1(CCC1)NCCOCCO 2230a_100000692455_100011215305 [0,1,0,1,0,0|2,0,0]=4 28623 B12R1.1996 CC1(CCC1)NCCOCCO 34a_100000692455_100000692535 [0,1,0,1,0,0|2,0,0]=4 28624 B12R1.1996 CC1(CCC1)OCCCCCF 34a_100000759064_100000729378 [0,1,0,1,0,0|2,0,0]=4 28625 B12R1.1996 CC1(CCC1)OCCCCCF 7a_100000759064_100000729378 [0,1,0,1,0,0|2,0,0]=4 28626 B12R1.1996 CC1(CCC1)OCCCCCO 34a_100000759064_100000746330 [0,1,0,1,0,0|1,0,0]=3 28627 B12R1.1996 CC1(CCC1)OCCCCCO 7a_100000759064_100000746330 [0,1,0,1,0,0|1,0,0]=3 28628 B12R1.1996 CC1(CCC1)OCCOCCO 34a_100000759064_100000692535 [0,1,0,1,0,0|2,0,0]=4 28629 B12R1.1996 CC1(CCC1)OCCOCCO 7a_100000759064_100011215305 [0,1,0,1,0,0|2,0,0]=4 28630 B12R1.1996 CC1(COC1)CNCCCCO 2230a_100000750430_100000066812 [0,1,0,1,0,0|2,0,0]=4 28631 B12R1.1996 CC1(COC1)CNCCCCO 2230a_100020631278_100000210776 [0,1,0,1,0,0|2,0,0]=4 28632 B12R1.1996 CC1(COC1)CNCCCCO 269862a_100000750430_100000050806 [0,1,0,1,0,0|2,0,0]=4 28633 B12R1.1996 CC1(COC1)CNCCCCO 34a_100000750430_100009817586 [0,1,0,1,0,0|2,0,0]=4 28634 B12R1.1996 CC1(COC1)CSCCCCO 62a_100000210776_100009817586 [0,1,0,1,0,0|2,0,0]=4 28635 B12R1.1996 CC1(COC1)CSCCCCO 62a_100009817586_100000210776 [0,1,0,1,0,0|2,0,0]=4 28636 B12R1.1996 CC1(COC1)NCCCCCO 2230a_100000732644_100000746330 [0,1,0,1,0,0|2,0,0]=4 28637 B12R1.1996 CC1(CSC1)COCCCCO 34a_100000732658_100011216708 [0,1,0,1,0,0|2,0,0]=4 28638 B12R1.1996 CC1(CSC1)COCCCCO 7a_100000732658_100000210776 [0,1,0,1,0,0|2,0,0]=4 28639 B12R1.1996 CC1(CSC1)OCCCCCO 7a_100016018533_100000746330 [0,1,0,1,0,0|2,0,0]=4 28640 B12R1.1996 CCCCCCNC1(CCC1)C 2230a_100000692455_100000210314 [0,1,0,1,0,0|2,0,0]=4 28641 B12R1.1996 CCCCCCNC1(CCC1)C 34a_100000692455_100000210314 [0,1,0,1,0,0|2,0,0]=4 28642 B12R1.1996 CCCCCCOC1(CCC1)C 34a_100000759064_100000210314 [0,1,0,1,0,0|2,0,0]=4 28643 B12R1.1996 CCCCCCOC1(CCC1)C 7a_100000759064_100000210314 [0,1,0,1,0,0|2,0,0]=4 28644 B12R1.1996 CCCCCNCC1(CCC1)C 2230a_100000209983_100000726658 [0,1,0,1,0,0|2,0,0]=4 28645 B12R1.1996 CCCCCNCC1(CCC1)C 2230a_100000706607_100000210326 [0,1,0,1,0,0|2,0,0]=4 28646 B12R1.1996 CCCCCNCC1(CCC1)O 2230a_100000752638_100000210326 [0,1,0,1,0,0|2,0,0]=4 28647 B12R1.1996 CCCCCOCC1(CCC1)C 34a_100000210253_100000726658 [0,1,0,1,0,0|2,0,0]=4 28648 B12R1.1996 CCCCCOCC1(CCC1)C 7a_100000210253_100000726658 [0,1,0,1,0,0|2,0,0]=4 28649 B12R1.1996 CCCCCSCC1(CCC1)C 62a_100000210326_100000726658 [0,1,0,1,0,0|2,0,0]=4 28650 B12R1.1996 CCCCCSCC1(CCC1)C 62a_100000726658_100000210326 [0,1,0,1,0,0|2,0,0]=4 28651 B12R1.1996 OC1(CCC1)CNCCCCF 2230a_100000752638_100000729493 [0,1,0,1,0,0|2,0,0]=4 28652 B12R1.1996 OCCCCNCC1(CCC1)O 2230a_100000752638_100000210776 [0,1,0,1,0,0|1,0,0]=3 28653 B12R1.1996 OCCCCNCC1(COC1)O 2230a_100010264505_100000210776 [0,1,0,1,0,0|2,0,0]=4 28654 B12R1.1 C=C1CCC(CC1)COCCO 34a_100000074039_100000211926 [0,1,0,1,0,0|1,0,1]=4 28655 B12R1.1 C=C1CCC(CC1)NCCCO 270004a_100000182051_100010272673 [0,1,0,1,0,0|1,0,1]=4 28656 B12R1.1 C=C1CCN(CC1)CCCCO 2230a_100000752442_100000210776 [0,1,0,1,0,0|1,0,1]=4 28657 B12R1.1 C=C1CCN(CC1)CCCCO 269982a_100000752442_100000210776 [0,1,0,1,0,0|1,0,1]=4 28658 B12R1.1 C=C1CCN(CC1)CCCCO 34a_100000752442_100011216708 [0,1,0,1,0,0|1,0,1]=4 28659 B12R1.1 CC1CCC(CC1)CNCCF 2230a_103436935547_100011217306 [0,1,0,1,0,0|2,0,0]=4 28660 B12R1.1 CC1CCC(CC1)CNCCF 34a_103436935547_100011217306 [0,1,0,1,0,0|2,0,0]=4 28661 B12R1.1 CC1CCC(CC1)CNCCO 2230a_103436935547_100000211926 [0,1,0,1,0,0|1,0,0]=3 28662 B12R1.1 CC1CCC(CC1)CNCCO 34a_103436935547_100000211926 [0,1,0,1,0,0|1,0,0]=3 28663 B12R1.1 CC1CCC(CC1)COCCF 34a_100000701341_100011217306 [0,1,0,1,0,0|2,0,0]=4 28664 B12R1.1 CC1CCC(CC1)COCCO 34a_100000701341_100000211926 [0,1,0,1,0,0|1,0,0]=3 28665 B12R1.1 CC1CCC(CC1)NCCCF 270004a_100015189416_100000185489 [0,1,0,1,0,0|2,0,0]=4 28666 B12R1.1 CC1CCC(CC1)NCCCF 34a_100015189416_200011216234 [0,1,0,1,0,0|2,0,0]=4 28667 B12R1.1 CC1CCC(CC1)NCCCO 270004a_100000182051_100000185489 [0,1,0,1,0,0|1,0,0]=3 28668 B12R1.1 CC1CCC(CC1)OCCCBr 34a_100011217188_200011216234 [0,1,0,1,0,0|2,0,0]=4 28669 B12R1.1 CC1CCC(CC1)OCCCCl 34a_100000230001_200011216234 [0,1,0,1,0,0|2,0,0]=4 28670 B12R1.1 CC1CCC(CC1)OCCCF 34a_100000210714_100011934791 [0,1,0,1,0,0|2,0,0]=4 28671 B12R1.1 CC1CCC(CC1)OCCCF 34a_100000759539_200011216234 [0,1,0,1,0,0|2,0,0]=4 28672 B12R1.1 CC1CCC(CC1)OCCCF 7a_100000210714_100011934791 [0,1,0,1,0,0|2,0,0]=4 28673 B12R1.1 CC1CCC(CC1)OCCCN 34a_100000182051_200011216234 [0,1,0,1,0,0|2,0,0]=4 28674 B12R1.1 CC1CCC(CC1)OCCCO 34a_100000210714_100000230001 [0,1,0,1,0,0|1,0,0]=3 28675 B12R1.1 CC1CCC(CC1)OCCCO 7a_100000210714_100011215043 [0,1,0,1,0,0|1,0,0]=3 28676 B12R1.1 CC1CCC(CC1)SCCCF 62a_100011934791_200011216234 [0,1,0,1,0,0|2,0,0]=4 28677 B12R1.1 CC1CCC(CC1)SCCCO 62a_100011215043_200011216234 [0,1,0,1,0,0|1,0,0]=3 28678 B12R1.1 CC1CCN(CC1)CCCCF 2230a_100000188429_100000729493 [0,1,0,1,0,0|2,0,0]=4 28679 B12R1.1 CC1CCN(CC1)CCCCF 269982a_100000188429_100000729493 [0,1,0,1,0,0|2,0,0]=4 28680 B12R1.1 CC1CCN(CC1)CCCCF 34a_100000188429_100000729493 [0,1,0,1,0,0|2,0,0]=4 28681 B12R1.1 CC1CCN(CC1)CCCCO 2230a_100000188429_100000210776 [0,1,0,1,0,0|1,0,0]=3 28682 B12R1.1 CC1CCN(CC1)CCCCO 269982a_100000188429_100000210776 [0,1,0,1,0,0|1,0,0]=3 28683 B12R1.1 CC1CCN(CC1)CCCCO 34a_100000188429_100011216708 [0,1,0,1,0,0|1,0,0]=3 28684 B12R1.1 CCCCCN1CCC(CC1)C 2230a_100000188429_100000210326 [0,1,0,1,0,0|2,0,0]=4 28685 B12R1.1 CCCCCN1CCC(CC1)C 269982a_100000188429_100000210215 [0,1,0,1,0,0|2,0,0]=4 28686 B12R1.1 CCCCCN1CCC(CC1)C 34a_100000188429_100000718602 [0,1,0,1,0,0|2,0,0]=4 28687 B12R1.1 CCCCCN1CCC(CC1)F 2230a_100015193889_100000210326 [0,1,0,1,0,0|2,0,0]=4 28688 B12R1.1 CCCCCN1CCC(CC1)F 269982a_100015193889_100000210215 [0,1,0,1,0,0|2,0,0]=4 28689 B12R1.1 CCCCCN1CCC(CC1)F 34a_100015193889_100000718602 [0,1,0,1,0,0|2,0,0]=4 28690 B12R1.1 CCCCCN1CCC(CC1)O 2230a_100025773856_100000210326 [0,1,0,1,0,0|2,0,0]=4 28691 B12R1.1 CCCCCN1CCC(CC1)O 269982a_100025773856_100000210215 [0,1,0,1,0,0|2,0,0]=4 28692 B12R1.1 CCCCNC1CCC(CC1)C 270004a_100000102301_100000185489 [0,1,0,1,0,0|2,0,0]=4 28693 B12R1.1 CCCCNC1CCC(CC1)O 270004a_100000102301_100000764474 [0,1,0,1,0,0|2,0,0]=4 28694 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210211 [0,1,0,1,0,0|2,0,0]=4 28695 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210210 [0,1,0,1,0,0|2,0,0]=4 28696 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210227_200011216234 [0,1,0,1,0,0|2,0,0]=4 28697 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210714_100000210210 [0,1,0,1,0,0|2,0,0]=4 28698 B12R1.1 CCCCOC1CCC(CC1)C 7a_100000210714_100000210211 [0,1,0,1,0,0|2,0,0]=4 28699 B12R1.1 CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210210 [0,1,0,1,0,0|2,0,0]=4 28700 B12R1.1 CCCCSC1CCC(CC1)C 62a_100000210211_200011216234 [0,1,0,1,0,0|2,0,0]=4 28701 B12R1.1 CCCNCC1CCC(CC1)C 2230a_103436935547_100000210303 [0,1,0,1,0,0|2,0,0]=4 28702 B12R1.1 CCCNCC1CCC(CC1)C 34a_103436935547_100000210303 [0,1,0,1,0,0|2,0,0]=4 28703 B12R1.1 CCCOCC1CCC(CC1)C 34a_100000701341_100000210303 [0,1,0,1,0,0|2,0,0]=4 28704 B12R1.1 CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210303 [0,1,0,1,0,0|2,0,0]=4 28705 B12R1.1 CCNCCC1CCC(CC1)O 34a_200011935226_100000210202 [0,1,0,1,0,0|2,0,0]=4 28706 B12R1.1 CCOCCC1CCC(CC1)N 34a_100000070672_100000210202 [0,1,0,1,0,0|2,0,0]=4 28707 B12R1.1 CN1CCC(CC1)CCCCO 2230a_100016989291_200000210301 [0,1,0,1,0,0|1,0,0]=3 28708 B12R1.1 CN1CCC(CC1)CCCCO 269982a_100016989291_200000210301 [0,1,0,1,0,0|1,0,0]=3 28709 B12R1.1 CN1CCC(CC1)CCCCO 34a_100016989291_200000210301 [0,1,0,1,0,0|1,0,0]=3 28710 B12R1.1 CN1CCC(CC1)CSCCO 62a_100000211926_100015183002 [0,1,0,1,0,0|2,0,0]=4 28711 B12R1.1 CN1CCC(CC1)CSCCO 62a_100015183002_100000211926 [0,1,0,1,0,0|2,0,0]=4 28712 B12R1.1 CN1CCC(CC1)NCCCO 270004a_100000182051_100000210137 [0,1,0,1,0,0|2,0,0]=4 28713 B12R1.1 CN1CCC(CC1)SCCCO 62a_100011215043_100011215917 [0,1,0,1,0,0|2,0,0]=4 28714 B12R1.1 CN1CCN(CC1)CCCCO 2230a_100000188432_100000210776 [0,1,0,1,0,0|2,0,0]=4 28715 B12R1.1 CN1CCN(CC1)CCCCO 2230a_100000760058_200000210301 [0,1,0,1,0,0|2,0,0]=4 28716 B12R1.1 CN1CCN(CC1)CCCCO 269982a_100000188432_100000210776 [0,1,0,1,0,0|2,0,0]=4 28717 B12R1.1 CN1CCN(CC1)CCCCO 269982a_100000760058_200000210301 [0,1,0,1,0,0|2,0,0]=4 28718 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCF 2230a_100020625639_100011934791 [0,1,0,1,0,0|2,0,0]=4 28719 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCF 34a_100020625639_100011934791 [0,1,0,1,0,0|2,0,0]=4 28720 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCO 2230a_100020625639_100000230001 [0,1,0,1,0,0|1,0,0]=3 28721 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCO 34a_100020625639_100000230001 [0,1,0,1,0,0|1,0,0]=3 28722 B12R1.1 FCCCCN1CCC(CC1)F 2230a_100015193889_100000729493 [0,1,0,1,0,0|2,0,0]=4 28723 B12R1.1 FCCCCN1CCC(CC1)F 269982a_100015193889_100000729493 [0,1,0,1,0,0|2,0,0]=4 28724 B12R1.1 FCCCCN1CCC(CC1)F 34a_100015193889_100000729493 [0,1,0,1,0,0|2,0,0]=4 28725 B12R1.1 NC1CCC(CC1)CCOCF 34a_100000070672_100015361967 [0,1,0,1,0,0|2,0,0]=4 28726 B12R1.1 N[C@H]1CC[C@@H](CC1)COCCF 34a_100009821084_100011217306 [0,1,0,1,0,0|2,0,0]=4 28727 B12R1.1 N[C@H]1CC[C@@H](CC1)COCCO 34a_100009821084_100000211926 [0,1,0,1,0,0|1,0,0]=3 28728 B12R1.1 N[C@H]1CC[C@H](CC1)OCCCF 34a_100020628982_100011934791 [0,1,0,1,0,0|2,0,0]=4 28729 B12R1.1 N[C@H]1CC[C@H](CC1)OCCCO 34a_100020628982_100000230001 [0,1,0,1,0,0|1,0,0]=3 28730 B12R1.1 O=C1CCC(CC1)COCCO 34a_100000062911_100000211926 [0,1,0,1,0,0|1,0,1]=4 28731 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,1,0,1,0,0|1,0,1]=4 28732 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,1,0,1,0,0|1,0,1]=4 28733 B12R1.1 O=S1CCN(CC1)CCCCO 2230a_100000752083_100000210776 [0,1,0,1,0,0|2,0,0]=4 28734 B12R1.1 O=S1CCN(CC1)CCCCO 269982a_100000752083_100000210776 [0,1,0,1,0,0|2,0,0]=4 28735 B12R1.1 OC1CCC(CC1)CCNCF 34a_200011935226_100015361967 [0,1,0,1,0,0|2,0,0]=4 28736 B12R1.1 OC1CCC(CC1)NCCCF 270004a_100015189416_100000764474 [0,1,0,1,0,0|2,0,0]=4 28737 B12R1.1 OC1CCN(CC1)CCCCF 2230a_100025773856_100000729493 [0,1,0,1,0,0|2,0,0]=4 28738 B12R1.1 OC1CCN(CC1)CCCCF 269982a_100025773856_100000729493 [0,1,0,1,0,0|2,0,0]=4 28739 B12R1.1 OCCCCN1CCC(CC1)F 2230a_100015193889_100000210776 [0,1,0,1,0,0|1,0,0]=3 28740 B12R1.1 OCCCCN1CCC(CC1)F 269982a_100015193889_100000210776 [0,1,0,1,0,0|1,0,0]=3 28741 B12R1.1 OCCCCN1CCC(CC1)F 34a_100015193889_100011216708 [0,1,0,1,0,0|1,0,0]=3 28742 B12R1.1 OCCCCN1CCC(CC1)O 2230a_100025773856_100000210776 [0,1,0,1,0,0|1,0,0]=3 28743 B12R1.1 OCCCCN1CCC(CC1)O 269982a_100025773856_100000210776 [0,1,0,1,0,0|1,0,0]=3 28744 B12R1.1 OCCCNC1CCC(CC1)O 270004a_100000182051_100000764474 [0,1,0,1,0,0|1,0,0]=3 28745 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 2230a_100016989291_200025704644 [0,1,0,1,0,0|1,0,0]=3 28746 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 269982a_100016989291_200025704644 [0,1,0,1,0,0|1,0,0]=3 28747 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 34a_100016989291_200025704644 [0,1,0,1,0,0|1,0,0]=3 28748 B12R1.1 [13CH3]N1CCN(CC1)CCCCO 2230a_100000760058_200025704644 [0,1,0,1,0,0|2,0,0]=4 28749 B12R1.1 [13CH3]N1CCN(CC1)CCCCO 269982a_100000760058_200025704644 [0,1,0,1,0,0|2,0,0]=4 28750 B12R1.7 CC1CCC(C1)NCCCCO 270004a_100000750430_100011215218 [0,1,0,1,0,0|1,0,0]=3 28751 B12R1.7 CC1CCC(C1)OCCCCF 34a_100000698185_100000729493 [0,1,0,1,0,0|2,0,0]=4 28752 B12R1.7 CC1CCC(C1)OCCCCO 34a_100000698185_100011216708 [0,1,0,1,0,0|1,0,0]=3 28753 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,1,0,1,0,0|1,0,0]=3 28754 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,1,0,1,0,0|1,0,0]=3 28755 B12R1.7 CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210314 [0,1,0,1,0,0|2,0,0]=4 28756 B12R1.7 CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210757 [0,1,0,1,0,0|2,0,0]=4 28757 B12R1.7 CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210314 [0,1,0,1,0,0|2,0,0]=4 28758 B12R1.7 CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210314 [0,1,0,1,0,0|2,0,0]=4 28759 B12R1.7 CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210757 [0,1,0,1,0,0|2,0,0]=4 28760 B12R1.7 CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210314 [0,1,0,1,0,0|2,0,0]=4 28761 B12R1.7 CCCCCNC1CCC(C1)C 270004a_100000209983_100011215218 [0,1,0,1,0,0|2,0,0]=4 28762 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,1,0,1,0,0|1,0,0]=3 28763 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,1,0,1,0,0|1,0,0]=3 28764 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,1,0,1,0,0|2,0,0]=4 28765 B12R1.7 CCCCOCN1CCC(C1)O 2230a_100011215560_100011995733 [0,1,0,1,0,0|2,0,0]=4 28766 B12R1.7 CCCCOCN1CCC(C1)O 269982a_100011215560_100011995733 [0,1,0,1,0,0|2,0,0]=4 28767 B12R1.7 CCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210210 [0,1,0,1,0,0|2,0,0]=4 28768 B12R1.7 CCCOCCN1CCC(C1)O 2230a_100011215560_100011215938 [0,1,0,1,0,0|2,0,0]=4 28769 B12R1.7 CCCOCCN1CCC(C1)O 269982a_100011215560_100011215938 [0,1,0,1,0,0|2,0,0]=4 28770 B12R1.7 CCOCCCN1CCC(C1)O 2230a_100011215560_100012232248 [0,1,0,1,0,0|2,0,0]=4 28771 B12R1.7 CCOCCCN1CCC(C1)O 269982a_100011215560_100012232248 [0,1,0,1,0,0|2,0,0]=4 28772 B12R1.7 CCOCCNC1CCC(C1)O 270004a_102516460346_100012614533 [0,1,0,1,0,0|2,0,0]=4 28773 B12R1.7 CCOCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215890 [0,1,0,1,0,0|2,0,0]=4 28774 B12R1.7 CCSCCNC1CCC(C1)O 270004a_100000106463_100012614533 [0,1,0,1,0,0|2,0,0]=4 28775 B12R1.7 CCSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000757381 [0,1,0,1,0,0|2,0,0]=4 28776 B12R1.7 CN1CCC(C1)CSCCCO 62a_100011215043_200000690779 [0,1,0,1,0,0|2,0,0]=4 28777 B12R1.7 CN1CCC(C1)CSCCCO 62a_200000690779_100011215043 [0,1,0,1,0,0|2,0,0]=4 28778 B12R1.7 CN1CCC(C1)SCCCCO 62a_100000210776_200012183744 [0,1,0,1,0,0|2,0,0]=4 28779 B12R1.7 COCCCCN1CCC(C1)O 2230a_100011215560_100000730899 [0,1,0,1,0,0|2,0,0]=4 28780 B12R1.7 COCCCCN1CCC(C1)O 269982a_100011215560_100000730899 [0,1,0,1,0,0|2,0,0]=4 28781 B12R1.7 COCCCNC1CCC(C1)O 270004a_100150723488_100012614533 [0,1,0,1,0,0|2,0,0]=4 28782 B12R1.7 COCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000740836 [0,1,0,1,0,0|2,0,0]=4 28783 B12R1.7 CSCCCNC1CCC(C1)O 270004a_100000749238_100012614533 [0,1,0,1,0,0|2,0,0]=4 28784 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 2230a_100016987628_100000729378 [0,1,0,1,0,0|2,0,0]=4 28785 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 269982a_100016987628_100000729378 [0,1,0,1,0,0|2,0,0]=4 28786 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 34a_100016987628_100000729378 [0,1,0,1,0,0|2,0,0]=4 28787 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 2230a_100016987628_100000746330 [0,1,0,1,0,0|1,0,0]=3 28788 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 269982a_100016987628_100000746330 [0,1,0,1,0,0|1,0,0]=3 28789 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 34a_100016987628_100000746330 [0,1,0,1,0,0|1,0,0]=3 28790 B12R1.7 C[C@@H]1CCN(C1)CCOCCO 2230a_100016987628_100011215305 [0,1,0,1,0,0|2,0,0]=4 28791 B12R1.7 C[C@@H]1CCN(C1)CCOCCO 269982a_100016987628_100011215305 [0,1,0,1,0,0|2,0,0]=4 28792 B12R1.7 C[C@@H]1CCN(C1)CCOCCO 34a_100016987628_100000692535 [0,1,0,1,0,0|2,0,0]=4 28793 B12R1.7 FCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729378 [0,1,0,1,0,0|2,0,0]=4 28794 B12R1.7 FCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729378 [0,1,0,1,0,0|2,0,0]=4 28795 B12R1.7 FCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729378 [0,1,0,1,0,0|2,0,0]=4 28796 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,1,0,0|1,0,1]=4 28797 B12R1.7 OC1CCN(C1)CCCCCF 2230a_100011215560_100000729378 [0,1,0,1,0,0|2,0,0]=4 28798 B12R1.7 OC1CCN(C1)CCCCCF 269982a_100011215560_100000729378 [0,1,0,1,0,0|2,0,0]=4 28799 B12R1.7 OCCCCCN1CCC(C1)O 2230a_100011215560_100000746330 [0,1,0,1,0,0|1,0,0]=3 28800 B12R1.7 OCCCCCN1CCC(C1)O 269982a_100011215560_100000746330 [0,1,0,1,0,0|1,0,0]=3 28801 B12R1.7 OCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000746330 [0,1,0,1,0,0|1,0,0]=3 28802 B12R1.7 OCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000746330 [0,1,0,1,0,0|1,0,0]=3 28803 B12R1.7 OCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000746330 [0,1,0,1,0,0|1,0,0]=3 28804 B12R1.7 OCCCCNC1CCC(C1)O 270004a_100000750430_100012614533 [0,1,0,1,0,0|1,0,0]=3 28805 B12R1.7 OCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210776 [0,1,0,1,0,0|1,0,0]=3 28806 B12R1.7 OCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000230001 [0,1,0,1,0,0|2,0,0]=4 28807 B12R1.7 OCCOCCN1CCC(C1)O 2230a_100011215560_100011215305 [0,1,0,1,0,0|2,0,0]=4 28808 B12R1.7 OCCOCCN1CCC(C1)O 269982a_100011215560_100011215305 [0,1,0,1,0,0|2,0,0]=4 28809 B12R1.7 OCCOCCN1CC[C@@H](C1)F 2230a_100015203821_100011215305 [0,1,0,1,0,0|2,0,0]=4 28810 B12R1.7 OCCOCCN1CC[C@@H](C1)F 269982a_100015203821_100011215305 [0,1,0,1,0,0|2,0,0]=4 28811 B12R1.7 OCCOCCN1CC[C@@H](C1)F 34a_100015203821_100000692535 [0,1,0,1,0,0|2,0,0]=4 28812 B12R1.7 O[C@@H]1CC[C@@H](C1)NCCCCF 2230a_100015195300_100000729493 [0,1,0,1,0,0|2,0,0]=4 28813 B12R1.25 CC1CCCC(C1C)NCCF 2230a_100000211273_100011217306 [0,1,0,1,0,0|2,0,0]=4 28814 B12R1.25 CC1CCCC(C1C)NCCF 34a_100000211273_100011217306 [0,1,0,1,0,0|2,0,0]=4 28815 B12R1.25 CC1CCCC(C1C)NCCO 2230a_100000211273_100000211926 [0,1,0,1,0,0|1,0,0]=3 28816 B12R1.25 CC1CCCC(C1C)NCCO 34a_100000211273_100000211926 [0,1,0,1,0,0|1,0,0]=3 28817 B12R1.25 CC1CCCC(C1C)OCCF 34a_100011217532_100011217306 [0,1,0,1,0,0|2,0,0]=4 28818 B12R1.25 CC1CCCC(C1C)OCCF 7a_100011217532_100011217306 [0,1,0,1,0,0|2,0,0]=4 28819 B12R1.25 CC1CCCC(C1C)OCCO 34a_100011217532_100000211926 [0,1,0,1,0,0|1,0,0]=3 28820 B12R1.25 CC1CCCC(C1C)OCCO 7a_100011217532_100000211926 [0,1,0,1,0,0|1,0,0]=3 28821 B12R1.25 CCCNC1CCCC(C1C)C 2230a_100000211273_100000210303 [0,1,0,1,0,0|2,0,0]=4 28822 B12R1.25 CCCNC1CCCC(C1C)C 34a_100000211273_100000210303 [0,1,0,1,0,0|2,0,0]=4 28823 B12R1.25 CCCOC1CCCC(C1C)C 34a_100011217532_100000210303 [0,1,0,1,0,0|2,0,0]=4 28824 B12R1.25 CCCOC1CCCC(C1C)C 7a_100011217532_100000210303 [0,1,0,1,0,0|2,0,0]=4 28825 B12R1.27 CC(CF)OCC1CCCCC1 34a_100016041109_100000211423 [0,1,0,1,0,0|2,0,0]=4 28826 B12R1.27 CC(CF)OCC1CCCCC1 7a_100016041109_100000211423 [0,1,0,1,0,0|2,0,0]=4 28827 B12R1.27 CC(CF)OCC1CCCCO1 34a_100016041109_100000211543 [0,1,0,1,0,0|2,0,0]=4 28828 B12R1.27 CC(CF)OCC1CCCCO1 7a_100016041109_100000211543 [0,1,0,1,0,0|2,0,0]=4 28829 B12R1.27 CC(CN)COC1CCCCC1 34a_100000744482_100000210327 [0,1,0,1,0,0|2,0,0]=4 28830 B12R1.27 CC(CN)OCC1CCCCC1 34a_100000210904_100000211423 [0,1,0,1,0,0|2,0,0]=4 28831 B12R1.27 CC(CN)OCC1CCCCO1 34a_100000210904_100000211543 [0,1,0,1,0,0|2,0,0]=4 28832 B12R1.27 CC(CO)CNC1CCCCC1 34a_100000744482_100000210327 [0,1,0,1,0,0|1,0,0]=3 28833 B12R1.27 CC(CO)CNC1CCCOC1 34a_100000744482_100000693364 [0,1,0,1,0,0|2,0,0]=4 28834 B12R1.27 CC(CO)CNC1CCSCC1 34a_100000744482_100000069128 [0,1,0,1,0,0|2,0,0]=4 28835 B12R1.27 CC(CO)NCC1CCCCC1 2230a_100000210473_100012180447 [0,1,0,1,0,0|1,0,0]=3 28836 B12R1.27 CC(CO)NCC1CCCCC1 34a_100000210473_100012180447 [0,1,0,1,0,0|1,0,0]=3 28837 B12R1.27 CC(CO)NCC1CCCCO1 2230a_100000174945_100012180447 [0,1,0,1,0,0|2,0,0]=4 28838 B12R1.27 CC(CO)NCC1CCCCO1 34a_100000174945_100012180447 [0,1,0,1,0,0|2,0,0]=4 28839 B12R1.27 CC(CO)NCC1CCCOC1 2230a_100000720124_100012180447 [0,1,0,1,0,0|2,0,0]=4 28840 B12R1.27 CC(CO)NCC1CCCOC1 34a_100000720124_100012180447 [0,1,0,1,0,0|2,0,0]=4 28841 B12R1.27 CC(CO)NCC1CCOCC1 2230a_100000746373_100012180447 [0,1,0,1,0,0|2,0,0]=4 28842 B12R1.27 CC(CO)NCC1CCOCC1 34a_100000746373_100012180447 [0,1,0,1,0,0|2,0,0]=4 28843 B12R1.27 CC(CO)NCC1CCSCC1 2230a_100015188806_100012180447 [0,1,0,1,0,0|2,0,0]=4 28844 B12R1.27 CC(CO)NCC1CCSCC1 34a_100015188806_100012180447 [0,1,0,1,0,0|2,0,0]=4 28845 B12R1.27 CC(CO)OCC1CCCCC1 34a_100000212181_100012180447 [0,1,0,1,0,0|1,0,0]=3 28846 B12R1.27 CC(CO)OCC1CCCCC1 7a_100000212181_100012180447 [0,1,0,1,0,0|1,0,0]=3 28847 B12R1.27 CC(CO)OCC1CCCCN1 34a_100000210821_100012180447 [0,1,0,1,0,0|2,0,0]=4 28848 B12R1.27 CC(CO)OCC1CCCCO1 34a_100000211370_100012180447 [0,1,0,1,0,0|2,0,0]=4 28849 B12R1.27 CC(CO)OCC1CCCCO1 7a_100000211370_100012180447 [0,1,0,1,0,0|2,0,0]=4 28850 B12R1.27 CC(CO)OCC1CCCNC1 34a_100000211344_100012180447 [0,1,0,1,0,0|2,0,0]=4 28851 B12R1.27 CC(CO)OCC1CCCOC1 34a_100000741520_100012180447 [0,1,0,1,0,0|2,0,0]=4 28852 B12R1.27 CC(CO)OCC1CCNCC1 34a_100000738675_100012180447 [0,1,0,1,0,0|2,0,0]=4 28853 B12R1.27 CC(CO)OCC1CCOCC1 34a_100000749013_100012180447 [0,1,0,1,0,0|2,0,0]=4 28854 B12R1.27 CC(CO)OCC1CCSCC1 34a_100000070558_100012180447 [0,1,0,1,0,0|2,0,0]=4 28855 B12R1.27 CC(CO)OCC1CCSCC1 7a_100000070558_100012180447 [0,1,0,1,0,0|2,0,0]=4 28856 B12R1.27 CC(CO)SCC1CCCCC1 62a_100012180447_100000211423 [0,1,0,1,0,0|1,0,0]=3 28857 B12R1.27 CC(CO)SCC1CCCCO1 62a_100012180447_100000211543 [0,1,0,1,0,0|2,0,0]=4 28858 B12R1.27 CC(CO)SCC1CCCOC1 62a_100012180447_100000741521 [0,1,0,1,0,0|2,0,0]=4 28859 B12R1.27 CC(CO)SCC1CCOCC1 62a_100012180447_100000749018 [0,1,0,1,0,0|2,0,0]=4 28860 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|1,0,1]=4 28861 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|1,0,1]=4 28862 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,1,0,1,0,0|1,0,1]=4 28863 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,1,0,1,0,0|1,0,1]=4 28864 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,1,0,1,0,0|1,0,1]=4 28865 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,1,0,1,0,0|1,0,1]=4 28866 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,1,0,1,0,0|1,0,1]=4 28867 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,1,0,1,0,0|1,0,1]=4 28868 B12R1.27 CCC(C)CNC1CCCCC1 2230a_100000182618_100000748023 [0,1,0,1,0,0|2,0,0]=4 28869 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100000182618_100000243153 [0,1,0,1,0,0|2,0,0]=4 28870 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100020588543_100000210434 [0,1,0,1,0,0|2,0,0]=4 28871 B12R1.27 CCC(C)CNC1CCCCC1 34a_100000182618_100000748023 [0,1,0,1,0,0|2,0,0]=4 28872 B12R1.27 CCC(C)COC1CCCCC1 34a_100000210231_100000748023 [0,1,0,1,0,0|2,0,0]=4 28873 B12R1.27 CCC(C)COC1CCCCC1 7a_100000210231_100000748023 [0,1,0,1,0,0|2,0,0]=4 28874 B12R1.27 CCC(C)COC1CCCCO1 34a_100000033831_100000748023 [0,1,0,1,0,0|1,0,0]=3 28875 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000210327_100000748023 [0,1,0,1,0,0|2,0,0]=4 28876 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000748023_100000210327 [0,1,0,1,0,0|2,0,0]=4 28877 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000209981_100000211423 [0,1,0,1,0,0|2,0,0]=4 28878 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000210473_100000758301 [0,1,0,1,0,0|2,0,0]=4 28879 B12R1.27 CCC(C)NCC1CCCCC1 269862a_100000209981_100000211278 [0,1,0,1,0,0|2,0,0]=4 28880 B12R1.27 CCC(C)NCC1CCCCC1 34a_100000210473_100011215416 [0,1,0,1,0,0|2,0,0]=4 28881 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000174945_100000758301 [0,1,0,1,0,0|1,0,0]=3 28882 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000209981_100000211543 [0,1,0,1,0,0|1,0,0]=3 28883 B12R1.27 CCC(C)NCC1CCCCO1 34a_100000174945_100011215416 [0,1,0,1,0,0|1,0,0]=3 28884 B12R1.27 CCC(C)NC[C@H]1COCCO1 2230a_100010981119_100000758301 [0,1,0,1,0,0|2,0,0]=4 28885 B12R1.27 CCC(C)NC[C@H]1COCCO1 34a_100010981119_100011215416 [0,1,0,1,0,0|2,0,0]=4 28886 B12R1.27 CCC(C)OCC1CCCCC1 34a_100000212181_100011215416 [0,1,0,1,0,0|2,0,0]=4 28887 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000210228_100000211423 [0,1,0,1,0,0|2,0,0]=4 28888 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000212181_100000758301 [0,1,0,1,0,0|2,0,0]=4 28889 B12R1.27 CCC(C)OCC1CCCCN1 34a_100000210821_100011215416 [0,1,0,1,0,0|2,0,0]=4 28890 B12R1.27 CCC(C)OCC1CCCCO1 34a_100000211370_100011215416 [0,1,0,1,0,0|1,0,0]=3 28891 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000210228_100000211543 [0,1,0,1,0,0|1,0,0]=3 28892 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000211370_100000758301 [0,1,0,1,0,0|1,0,0]=3 28893 B12R1.27 CCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100011215416 [0,1,0,1,0,0|2,0,0]=4 28894 B12R1.27 CCC(C)OC[C@H]1COCCO1 34a_100009875890_100011215416 [0,1,0,1,0,0|2,0,0]=4 28895 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000211423_100000758301 [0,1,0,1,0,0|2,0,0]=4 28896 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000758301_100000211423 [0,1,0,1,0,0|2,0,0]=4 28897 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000211543_100000758301 [0,1,0,1,0,0|1,0,0]=3 28898 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000758301_100000211543 [0,1,0,1,0,0|1,0,0]=3 28899 B12R1.27 CCC(O)CNC1CCCCC1 2230a_100000182618_100011218378 [0,1,0,1,0,0|2,0,0]=4 28900 B12R1.27 CCC(O)CNC1CCCCC1 270004a_100011218483_100000210434 [0,1,0,1,0,0|2,0,0]=4 28901 B12R1.27 CCC(O)CNC1CCCCC1 34a_100000182618_100011218378 [0,1,0,1,0,0|2,0,0]=4 28902 B12R1.27 CCC(O)COC1CCCCC1 34a_100000210231_100011218378 [0,1,0,1,0,0|2,0,0]=4 28903 B12R1.27 CCC(O)COC1CCCCC1 7a_100000210231_100011218378 [0,1,0,1,0,0|2,0,0]=4 28904 B12R1.27 CCC(O)COC1CCCCO1 34a_100000033831_100011218378 [0,1,0,1,0,0|1,0,0]=3 28905 B12R1.27 CCC(O)CSC1CCCCC1 62a_100000210327_100011218378 [0,1,0,1,0,0|2,0,0]=4 28906 B12R1.27 CCC(O)CSC1CCCCC1 62a_100011218378_100000210327 [0,1,0,1,0,0|2,0,0]=4 28907 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [0,1,0,1,0,0|2,0,0]=4 28908 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [0,1,0,1,0,0|2,0,0]=4 28909 B12R1.27 CCN(C)CCC1CCCCO1 2230a_100015183322_100000210202 [0,1,0,1,0,0|1,0,0]=3 28910 B12R1.27 CCN(C)CCC1CCCCO1 269982a_100015183322_100000204670 [0,1,0,1,0,0|1,0,0]=3 28911 B12R1.27 CCN(C)CCC1CCCCO1 34a_100015183322_100000210202 [0,1,0,1,0,0|1,0,0]=3 28912 B12R1.27 CCN(C)CCC1OCCCO1 2230a_100000225621_100000764188 [0,1,0,1,0,0|2,0,0]=4 28913 B12R1.27 CCN(C)CCC1OCCCO1 269982a_100000225621_100000764188 [0,1,0,1,0,0|2,0,0]=4 28914 B12R1.27 CC[C@H](C)CNC1CCCCC1 2230a_100000182618_100009816398 [0,1,0,1,0,0|2,0,0]=4 28915 B12R1.27 CC[C@H](C)CNC1CCCCC1 34a_100000182618_100009816398 [0,1,0,1,0,0|2,0,0]=4 28916 B12R1.27 CC[C@H](C)COC1CCCCC1 34a_100000210231_100009816398 [0,1,0,1,0,0|2,0,0]=4 28917 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100000210231_100009816398 [0,1,0,1,0,0|2,0,0]=4 28918 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100009816381_100000210327 [0,1,0,1,0,0|2,0,0]=4 28919 B12R1.27 CC[C@H](C)COC1CCCCO1 34a_100000033831_100009816398 [0,1,0,1,0,0|1,0,0]=3 28920 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100000210327_100009816398 [0,1,0,1,0,0|2,0,0]=4 28921 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100009816398_100000210327 [0,1,0,1,0,0|2,0,0]=4 28922 B12R1.27 CN(CF)CCC1CCCCO1 269982a_100015183322_100015361967 [0,1,0,1,0,0|2,0,0]=4 28923 B12R1.27 CN(CF)CCC1CCCCO1 34a_100015183322_100015361967 [0,1,0,1,0,0|2,0,0]=4 28924 B12R1.27 COC(C)SCC1CCCCO1 62a_100000211543_100009879195 [0,1,0,1,0,0|2,0,0]=4 28925 B12R1.27 COC(C)SCC1CCCCO1 62a_100009879195_100000211543 [0,1,0,1,0,0|2,0,0]=4 28926 B12R1.27 C[C@@H](CO)CNC1CCCCC1 2230a_100000182618_100000059175 [0,1,0,1,0,0|1,0,0]=3 28927 B12R1.27 C[C@@H](CO)CNC1CCCCC1 34a_100000182618_100000059175 [0,1,0,1,0,0|1,0,0]=3 28928 B12R1.27 C[C@@H](CO)CNC1CCCOC1 2230a_100000719290_100000059175 [0,1,0,1,0,0|2,0,0]=4 28929 B12R1.27 C[C@@H](CO)CNC1CCCOC1 34a_100000719290_100000059175 [0,1,0,1,0,0|2,0,0]=4 28930 B12R1.27 C[C@@H](CO)CNC1CCOCC1 2230a_100000741149_100000059175 [0,1,0,1,0,0|2,0,0]=4 28931 B12R1.27 C[C@@H](CO)CNC1CCOCC1 34a_100000741149_100000059175 [0,1,0,1,0,0|2,0,0]=4 28932 B12R1.27 C[C@@H](CO)CNC1CCSCC1 2230a_100000748639_100000059175 [0,1,0,1,0,0|2,0,0]=4 28933 B12R1.27 C[C@@H](CO)CNC1CCSCC1 34a_100000748639_100000059175 [0,1,0,1,0,0|2,0,0]=4 28934 B12R1.27 C[C@@H](CO)COC1CCCCC1 34a_100000210231_100000059175 [0,1,0,1,0,0|1,0,0]=3 28935 B12R1.27 C[C@@H](CO)COC1CCCCC1 7a_100000210231_100000059175 [0,1,0,1,0,0|1,0,0]=3 28936 B12R1.27 C[C@@H](CO)COC1CCCCO1 34a_100000033831_100000059175 [0,1,0,1,0,0|2,0,0]=4 28937 B12R1.27 C[C@@H](CO)COC1CCCOC1 34a_100000754041_100000059175 [0,1,0,1,0,0|2,0,0]=4 28938 B12R1.27 C[C@@H](CO)COC1CCCSC1 7a_100015962668_100000059175 [0,1,0,1,0,0|2,0,0]=4 28939 B12R1.27 C[C@@H](CO)COC1CCOCC1 34a_100000744328_100000059175 [0,1,0,1,0,0|2,0,0]=4 28940 B12R1.27 C[C@@H](CO)COC1CCSCC1 34a_100000731022_100000059175 [0,1,0,1,0,0|2,0,0]=4 28941 B12R1.27 C[C@@H](CO)COC1CCSCC1 7a_100000731022_100000059175 [0,1,0,1,0,0|2,0,0]=4 28942 B12R1.27 C[C@@H](CO)CSC1CCCCC1 62a_100000059175_100000210327 [0,1,0,1,0,0|1,0,0]=3 28943 B12R1.27 C[C@@H](CO)CSC1CCCCC1 62a_100000210327_100000059175 [0,1,0,1,0,0|1,0,0]=3 28944 B12R1.27 C[C@@H](CO)CSC1CCCOC1 62a_100000059175_100000693364 [0,1,0,1,0,0|2,0,0]=4 28945 B12R1.27 C[C@@H](CO)CSC1CCOCC1 62a_100000059175_100011324220 [0,1,0,1,0,0|2,0,0]=4 28946 B12R1.27 C[C@@H](CO)CSC1CCSCC1 62a_100000059175_100000069128 [0,1,0,1,0,0|2,0,0]=4 28947 B12R1.27 C[C@H](CF)NCC1CCCCC1 269862a_100102880703_100000211278 [0,1,0,1,0,0|2,0,0]=4 28948 B12R1.27 C[C@H](CO)NCC1CCCCC1 2230a_100000737577_100000211423 [0,1,0,1,0,0|1,0,0]=3 28949 B12R1.27 C[C@H](CO)NCC1CCCCC1 269862a_100000737577_100000211278 [0,1,0,1,0,0|1,0,0]=3 28950 B12R1.27 C[C@H](CO)NCC1CCCCO1 2230a_100000737577_100000211543 [0,1,0,1,0,0|2,0,0]=4 28951 B12R1.27 C[C@H](CO)NCC1CCCOC1 2230a_100000737577_100000741521 [0,1,0,1,0,0|2,0,0]=4 28952 B12R1.27 C[C@H](CO)NCC1CCOCC1 2230a_100000737577_100000754603 [0,1,0,1,0,0|2,0,0]=4 28953 B12R1.27 C[C@H](CO)NCC1CCOCC1 269862a_100000737577_100000749017 [0,1,0,1,0,0|2,0,0]=4 28954 B12R1.27 C[C@H](CO)NCC1CCSCC1 269862a_100000737577_100000067145 [0,1,0,1,0,0|2,0,0]=4 28955 B12R1.27 C[C@H](CO)NCC1CCSCC1 270004a_100000737577_100000067145 [0,1,0,1,0,0|2,0,0]=4 28956 B12R1.27 C[C@H](CO)SCC1CCCCC1 62a_100000211423_100016084084 [0,1,0,1,0,0|1,0,0]=3 28957 B12R1.27 C[C@H](CO)SCC1CCCCC1 62a_100016084084_100000211423 [0,1,0,1,0,0|1,0,0]=3 28958 B12R1.27 C[C@H](CO)SCC1CCCCO1 62a_100000211543_100016084084 [0,1,0,1,0,0|2,0,0]=4 28959 B12R1.27 C[C@H](CO)SCC1CCCCO1 62a_100016084084_100000211543 [0,1,0,1,0,0|2,0,0]=4 28960 B12R1.27 C[C@H](CO)SCC1CCCOC1 62a_100000741521_100016084084 [0,1,0,1,0,0|2,0,0]=4 28961 B12R1.27 C[C@H](CO)SCC1CCCOC1 62a_100016084084_100000741521 [0,1,0,1,0,0|2,0,0]=4 28962 B12R1.27 C[C@H](CO)SCC1CCOCC1 62a_100000754603_100016084084 [0,1,0,1,0,0|2,0,0]=4 28963 B12R1.27 C[C@H](CO)SCC1CCOCC1 62a_100016084084_100000749018 [0,1,0,1,0,0|2,0,0]=4 28964 B12R1.27 ClCC(Cl)COC1CCCCC1 34a_100000033668_100000210327 [0,1,0,1,0,0|2,0,0]=4 28965 B12R1.27 NC[C@@H](F)COC1CCCCC1 34a_100015665980_100000210327 [0,1,0,1,0,0|2,0,0]=4 28966 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|1,0,1]=4 28967 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|0,0,1]=3 28968 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,1,0,0|1,0,1]=4 28969 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,1,0,0|1,0,1]=4 28970 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|1,0,1]=4 28971 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|1,0,1]=4 28972 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|1,0,1]=4 28973 B12R1.27 OCC(O)CNC1CCCCC1 2230a_100000182618_100011219619 [0,1,0,1,0,0|1,0,0]=3 28974 B12R1.27 OCC(O)CNC1CCCCC1 34a_100000182618_100011219619 [0,1,0,1,0,0|1,0,0]=3 28975 B12R1.27 OCC(O)CNC1CCCOC1 2230a_100000719290_100011219619 [0,1,0,1,0,0|2,0,0]=4 28976 B12R1.27 OCC(O)CNC1CCCOC1 34a_100000719290_100011219619 [0,1,0,1,0,0|2,0,0]=4 28977 B12R1.27 OCC(O)CNC1CCOCC1 2230a_100000741149_100011219619 [0,1,0,1,0,0|2,0,0]=4 28978 B12R1.27 OCC(O)CNC1CCOCC1 34a_100000741149_100011219619 [0,1,0,1,0,0|2,0,0]=4 28979 B12R1.27 OCC(O)CNC1CCSCC1 2230a_100000748639_100011219619 [0,1,0,1,0,0|2,0,0]=4 28980 B12R1.27 OCC(O)CNC1CCSCC1 34a_100000748639_100011219619 [0,1,0,1,0,0|2,0,0]=4 28981 B12R1.27 OCC(O)COC1CCCCC1 34a_100000210231_100011219619 [0,1,0,1,0,0|1,0,0]=3 28982 B12R1.27 OCC(O)COC1CCCCC1 7a_100000210231_100011219619 [0,1,0,1,0,0|1,0,0]=3 28983 B12R1.27 OCC(O)COC1CCCCO1 34a_100000033831_100011219619 [0,1,0,1,0,0|2,0,0]=4 28984 B12R1.27 OCC(O)COC1CCCOC1 34a_100000754041_100011219619 [0,1,0,1,0,0|2,0,0]=4 28985 B12R1.27 OCC(O)COC1CCCSC1 7a_100015962668_100011219619 [0,1,0,1,0,0|2,0,0]=4 28986 B12R1.27 OCC(O)COC1CCOCC1 34a_100000744328_100011219619 [0,1,0,1,0,0|2,0,0]=4 28987 B12R1.27 OCC(O)COC1CCSCC1 34a_100000731022_100011219619 [0,1,0,1,0,0|2,0,0]=4 28988 B12R1.27 OCC(O)COC1CCSCC1 7a_100000731022_100011219619 [0,1,0,1,0,0|2,0,0]=4 28989 B12R1.27 OCC(O)CSC1CCCCC1 62a_100000210327_100011219619 [0,1,0,1,0,0|1,0,0]=3 28990 B12R1.27 OCC(O)CSC1CCCCC1 62a_100011219619_100000210327 [0,1,0,1,0,0|1,0,0]=3 28991 B12R1.27 OCC(O)CSC1CCCOC1 62a_100011219619_100000693364 [0,1,0,1,0,0|2,0,0]=4 28992 B12R1.27 OCC(O)CSC1CCOCC1 62a_100011219619_100011324220 [0,1,0,1,0,0|2,0,0]=4 28993 B12R1.27 OCC(O)CSC1CCSCC1 62a_100011219619_100000069128 [0,1,0,1,0,0|2,0,0]=4 28994 B12R1.27 OC[C@H](F)CNC1CCCCC1 270004a_100015665980_100000210434 [0,1,0,1,0,0|1,0,0]=3 28995 B12R1.27 OC[C@H](F)CNC1CCCCC1 34a_100015665980_100000210327 [0,1,0,1,0,0|1,0,0]=3 28996 B12R1.27 OC[C@H](F)CNC1CCCOC1 270004a_100015665980_100000753404 [0,1,0,1,0,0|2,0,0]=4 28997 B12R1.27 OC[C@H](F)CNC1CCCOC1 34a_100015665980_100000693364 [0,1,0,1,0,0|2,0,0]=4 28998 B12R1.27 OC[C@H](F)CNC1CCCSC1 270004a_100015665980_100000057913 [0,1,0,1,0,0|2,0,0]=4 28999 B12R1.27 OC[C@H](F)CNC1CCNCC1 270004a_100015665980_100015192401 [0,1,0,1,0,0|2,0,0]=4 29000 B12R1.27 OC[C@H](F)CNC1CCOCC1 270004a_100015665980_100011217826 [0,1,0,1,0,0|2,0,0]=4 29001 B12R1.27 OC[C@H](F)CNC1CCSCC1 270004a_100015665980_100000203788 [0,1,0,1,0,0|2,0,0]=4 29002 B12R1.27 OC[C@H](F)CNC1CCSCC1 34a_100015665980_100000069128 [0,1,0,1,0,0|2,0,0]=4 29003 B12R1.27 OC[C@H](O)CNC1CCCCC1 2230a_100000182618_100009815848 [0,1,0,1,0,0|1,0,0]=3 29004 B12R1.27 OC[C@H](O)CNC1CCCCC1 34a_100000182618_100009815848 [0,1,0,1,0,0|1,0,0]=3 29005 B12R1.27 OC[C@H](O)CNC1CCCOC1 2230a_100000719290_100009815848 [0,1,0,1,0,0|2,0,0]=4 29006 B12R1.27 OC[C@H](O)CNC1CCCOC1 34a_100000719290_100009815848 [0,1,0,1,0,0|2,0,0]=4 29007 B12R1.27 OC[C@H](O)CNC1CCOCC1 2230a_100000741149_100009815848 [0,1,0,1,0,0|2,0,0]=4 29008 B12R1.27 OC[C@H](O)CNC1CCOCC1 34a_100000741149_100009815848 [0,1,0,1,0,0|2,0,0]=4 29009 B12R1.27 OC[C@H](O)CNC1CCSCC1 2230a_100000748639_100009815848 [0,1,0,1,0,0|2,0,0]=4 29010 B12R1.27 OC[C@H](O)CNC1CCSCC1 34a_100000748639_100009815848 [0,1,0,1,0,0|2,0,0]=4 29011 B12R1.27 OC[C@H](O)COC1CCCCC1 34a_100000210231_100009815848 [0,1,0,1,0,0|1,0,0]=3 29012 B12R1.27 OC[C@H](O)COC1CCCCC1 7a_100000210231_100009815848 [0,1,0,1,0,0|1,0,0]=3 29013 B12R1.27 OC[C@H](O)COC1CCCCO1 34a_100000033831_100009815848 [0,1,0,1,0,0|2,0,0]=4 29014 B12R1.27 OC[C@H](O)COC1CCCOC1 34a_100000754041_100009815848 [0,1,0,1,0,0|2,0,0]=4 29015 B12R1.27 OC[C@H](O)COC1CCCSC1 7a_100015962668_100009815848 [0,1,0,1,0,0|2,0,0]=4 29016 B12R1.27 OC[C@H](O)COC1CCOCC1 34a_100000744328_100009815848 [0,1,0,1,0,0|2,0,0]=4 29017 B12R1.27 OC[C@H](O)COC1CCSCC1 34a_100000731022_100009815848 [0,1,0,1,0,0|2,0,0]=4 29018 B12R1.27 OC[C@H](O)COC1CCSCC1 7a_100000731022_100009815848 [0,1,0,1,0,0|2,0,0]=4 29019 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100000210327_100009815848 [0,1,0,1,0,0|1,0,0]=3 29020 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100009815848_100000210327 [0,1,0,1,0,0|1,0,0]=3 29021 B12R1.27 OC[C@H](O)CSC1CCCOC1 62a_100009815848_100000693364 [0,1,0,1,0,0|2,0,0]=4 29022 B12R1.27 OC[C@H](O)CSC1CCOCC1 62a_100009815848_100011324220 [0,1,0,1,0,0|2,0,0]=4 29023 B12R1.27 OC[C@H](O)CSC1CCSCC1 62a_100009815848_100000069128 [0,1,0,1,0,0|2,0,0]=4 29024 B12R1.27 O[C@@H](CF)CNC1CCCCC1 2230a_100000182618_100015614560 [0,1,0,1,0,0|2,0,0]=4 29025 B12R1.27 O[C@@H](CF)CNC1CCCCC1 34a_100000182618_100015614560 [0,1,0,1,0,0|2,0,0]=4 29026 B12R1.27 O[C@@H](CF)COC1CCCCC1 34a_100000210231_100015614560 [0,1,0,1,0,0|2,0,0]=4 29027 B12R1.27 O[C@@H](CF)COC1CCCCC1 7a_100000210231_100015614560 [0,1,0,1,0,0|2,0,0]=4 29028 B12R1.27 O[C@@H](CF)COC1CCCCO1 34a_100000033831_100015614560 [0,1,0,1,0,0|2,0,0]=4 29029 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100000210327_100015614560 [0,1,0,1,0,0|2,0,0]=4 29030 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100015614560_100000210327 [0,1,0,1,0,0|2,0,0]=4 29031 B12R1.77 CC(CO)N1CCCCC1CO 2230a_100000210821_100012180447 [0,1,0,1,0,0|2,0,0]=4 29032 B12R1.77 CC(CO)N1CCCCC1CO 34a_100000210821_100012180447 [0,1,0,1,0,0|2,0,0]=4 29033 B12R1.77 CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210414 [0,1,0,1,0,0|1,0,1]=4 29034 B12R1.77 CCC(C)C1CCCCC1NC 269862a_106832991636_100011216798 [0,1,0,1,0,0|2,0,0]=4 29035 B12R1.77 CCC(C)N1CCCCC1CC 2230a_100000210034_100000758301 [0,1,0,1,0,0|2,0,0]=4 29036 B12R1.77 CCC(C)N1CCCCC1CC 269982a_100000210034_100000758301 [0,1,0,1,0,0|2,0,0]=4 29037 B12R1.77 CCC(C)N1CCCCC1CC 34a_100000210034_100011215416 [0,1,0,1,0,0|2,0,0]=4 29038 B12R1.77 CCC(C)N1CCCCC1CO 2230a_100000210821_100000758301 [0,1,0,1,0,0|1,0,0]=3 29039 B12R1.77 CCC(C)N1CCCCC1CO 269982a_100000210821_100000758301 [0,1,0,1,0,0|1,0,0]=3 29040 B12R1.77 CCC(C)N1CCCCC1CO 34a_100000210821_100011215416 [0,1,0,1,0,0|1,0,0]=3 29041 B12R1.77 CCC(C)N1CCOC[C@H]1CO 2230a_100000717676_100000758301 [0,1,0,1,0,0|2,0,0]=4 29042 B12R1.77 CCC(C)N1CCOC[C@H]1CO 269982a_100000717676_100000758301 [0,1,0,1,0,0|2,0,0]=4 29043 B12R1.77 CCC(C)N1CCOC[C@H]1CO 34a_100000717676_100011215416 [0,1,0,1,0,0|2,0,0]=4 29044 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|1,0,1]=4 29045 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|1,0,1]=4 29046 B12R1.77 CCC1CCCCN1C(C)CO 2230a_100000210034_100012180447 [0,1,0,1,0,0|1,0,0]=3 29047 B12R1.77 CCC1CCCCN1C(C)CO 34a_100000210034_100012180447 [0,1,0,1,0,0|1,0,0]=3 29048 B12R1.77 CCC1CCCCN1[C@H](C)CO 269982a_100000210034_100016084084 [0,1,0,1,0,0|1,0,0]=3 29049 B12R1.77 CC[C@H]1COCCN1C(C)CO 2230a_100016988097_100012180447 [0,1,0,1,0,0|2,0,0]=4 29050 B12R1.77 CC[C@H]1COCCN1C(C)CO 34a_100016988097_100012180447 [0,1,0,1,0,0|2,0,0]=4 29051 B12R1.77 CC[C@H]1COCCN1[C@H](C)CO 269982a_100016988097_100016084084 [0,1,0,1,0,0|2,0,0]=4 29052 B12R1.77 COC(C)N1CCCCC1CO 269982a_100000210821_100009879195 [0,1,0,1,0,0|2,0,0]=4 29053 B12R1.77 C[C@H](CO)N1CCCCC1CO 269982a_100000210821_100016084084 [0,1,0,1,0,0|2,0,0]=4 29054 B12R1.82 CCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747405 [0,1,0,1,0,0|1,0,1]=4 29055 B12R1.82 CCC(C)CN1CCCC1CC 2230a_100000754278_100000748023 [0,1,0,1,0,0|2,0,0]=4 29056 B12R1.82 CCC(C)CN1CCCC1CC 269982a_100000754278_100000748023 [0,1,0,1,0,0|2,0,0]=4 29057 B12R1.82 CCC(C)CN1CCCC1CC 270004a_100000754278_100000243153 [0,1,0,1,0,0|2,0,0]=4 29058 B12R1.82 CCC(C)CN1CCCC1CC 34a_100000754278_100000748023 [0,1,0,1,0,0|2,0,0]=4 29059 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000748023 [0,1,0,1,0,0|1,0,0]=3 29060 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000748023 [0,1,0,1,0,0|1,0,0]=3 29061 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000243153 [0,1,0,1,0,0|1,0,0]=3 29062 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 34a_100000745186_100000748023 [0,1,0,1,0,0|1,0,0]=3 29063 B12R1.82 CCC(C)NC1CCCC1CC 269862a_100000209981_100000749056 [0,1,0,1,0,0|2,0,0]=4 29064 B12R1.82 CCC(C)NC1CCCC1CC 270004a_100000209981_100000749056 [0,1,0,1,0,0|2,0,0]=4 29065 B12R1.82 CCC(O)CN1CCCC1CC 2230a_100000754278_100011218378 [0,1,0,1,0,0|2,0,0]=4 29066 B12R1.82 CCC(O)CN1CCCC1CC 269982a_100000754278_100011218378 [0,1,0,1,0,0|2,0,0]=4 29067 B12R1.82 CCC(O)CN1CCCC1CC 34a_100000754278_100011218378 [0,1,0,1,0,0|2,0,0]=4 29068 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 29069 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 29070 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 29071 B12R1.82 CCC1CCCC1N[C@H](C)CF 269862a_100102880703_100000749056 [0,1,0,1,0,0|2,0,0]=4 29072 B12R1.82 CCC1CCCC1N[C@H](C)CF 270004a_100102880703_100000749056 [0,1,0,1,0,0|2,0,0]=4 29073 B12R1.82 CCC1CCCC1N[C@H](C)CO 269862a_100000737577_100000749056 [0,1,0,1,0,0|1,0,0]=3 29074 B12R1.82 CCC1CCCC1N[C@H](C)CO 270004a_100000737577_100000749056 [0,1,0,1,0,0|1,0,0]=3 29075 B12R1.82 CCC1CCCN1CC(O)CO 2230a_100000754278_100011219619 [0,1,0,1,0,0|1,0,0]=3 29076 B12R1.82 CCC1CCCN1CC(O)CO 34a_100000754278_100011219619 [0,1,0,1,0,0|1,0,0]=3 29077 B12R1.82 CCC1CCCN1C[C@@H](C)CC 2230a_100000754278_100009816398 [0,1,0,1,0,0|2,0,0]=4 29078 B12R1.82 CCC1CCCN1C[C@@H](C)CC 269982a_100000754278_100009816398 [0,1,0,1,0,0|2,0,0]=4 29079 B12R1.82 CCC1CCCN1C[C@@H](C)CC 34a_100000754278_100009816398 [0,1,0,1,0,0|2,0,0]=4 29080 B12R1.82 CCC1CCCN1C[C@@H](C)CO 2230a_100000754278_100000059175 [0,1,0,1,0,0|1,0,0]=3 29081 B12R1.82 CCC1CCCN1C[C@@H](C)CO 269982a_100000754278_100000059175 [0,1,0,1,0,0|1,0,0]=3 29082 B12R1.82 CCC1CCCN1C[C@@H](C)CO 34a_100000754278_100000059175 [0,1,0,1,0,0|1,0,0]=3 29083 B12R1.82 CCC1CCCN1C[C@@H](O)CF 2230a_100000754278_100015614560 [0,1,0,1,0,0|2,0,0]=4 29084 B12R1.82 CCC1CCCN1C[C@@H](O)CF 34a_100000754278_100015614560 [0,1,0,1,0,0|2,0,0]=4 29085 B12R1.82 CCC1CCCN1C[C@@H](O)CO 2230a_100000754278_100009815848 [0,1,0,1,0,0|1,0,0]=3 29086 B12R1.82 CCC1CCCN1C[C@@H](O)CO 34a_100000754278_100009815848 [0,1,0,1,0,0|1,0,0]=3 29087 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 2230a_100000745186_100009816398 [0,1,0,1,0,0|1,0,0]=3 29088 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 269982a_100000745186_100009816398 [0,1,0,1,0,0|1,0,0]=3 29089 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 34a_100000745186_100009816398 [0,1,0,1,0,0|1,0,0]=3 29090 B12R1.82 C[C@@H](CO)CN1CCC[C@@H]1CO 2230a_100000745186_100000059175 [0,1,0,1,0,0|2,0,0]=4 29091 B12R1.82 C[C@@H](CO)CN1CCC[C@@H]1CO 269982a_100000745186_100000059175 [0,1,0,1,0,0|2,0,0]=4 29092 B12R1.82 C[C@@H](CO)CN1CCC[C@@H]1CO 34a_100000745186_100000059175 [0,1,0,1,0,0|2,0,0]=4 29093 B12R1.82 OCC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011219619 [0,1,0,1,0,0|2,0,0]=4 29094 B12R1.82 OCC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011219619 [0,1,0,1,0,0|2,0,0]=4 29095 B12R1.82 OC[C@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009815848 [0,1,0,1,0,0|2,0,0]=4 29096 B12R1.82 OC[C@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009815848 [0,1,0,1,0,0|2,0,0]=4 29097 B12R1.82 OC[C@H]1CCCN1C[C@@H](O)CF 2230a_100000745186_100015614560 [0,1,0,1,0,0|2,0,0]=4 29098 B12R1.82 OC[C@H]1CCCN1C[C@@H](O)CF 34a_100000745186_100015614560 [0,1,0,1,0,0|2,0,0]=4 29099 B12R1.163 COCC1CCN1CC(O)CO 2230a_100015195929_100011219619 [0,1,0,1,0,0|2,0,0]=4 29100 B12R1.163 COCC1CCN1CC(O)CO 34a_100015195929_100011219619 [0,1,0,1,0,0|2,0,0]=4 29101 B12R1.163 COCC1CCN1C[C@@H](C)CO 2230a_100015195929_100000059175 [0,1,0,1,0,0|2,0,0]=4 29102 B12R1.163 COCC1CCN1C[C@@H](C)CO 269982a_100015195929_100000059175 [0,1,0,1,0,0|2,0,0]=4 29103 B12R1.163 COCC1CCN1C[C@@H](C)CO 34a_100015195929_100000059175 [0,1,0,1,0,0|2,0,0]=4 29104 B12R1.163 COCC1CCN1C[C@@H](O)CO 2230a_100015195929_100009815848 [0,1,0,1,0,0|2,0,0]=4 29105 B12R1.163 COCC1CCN1C[C@@H](O)CO 34a_100015195929_100009815848 [0,1,0,1,0,0|2,0,0]=4 29106 B12R1.291 COC[C@@H]1CCCN1C(C)CO 2230a_100020646714_100012180447 [0,1,0,1,0,0|2,0,0]=4 29107 B12R1.291 COC[C@@H]1CCCN1C(C)CO 34a_100020646714_100012180447 [0,1,0,1,0,0|2,0,0]=4 29108 B12R1.291 COC[C@@H]1CCCN1[C@H](C)CO 269982a_100020646714_100016084084 [0,1,0,1,0,0|2,0,0]=4 29109 B12R1.353 CC(CO)CNC1CCCC1C 269862a_100000744482_100000752053 [0,1,0,1,0,0|1,0,0]=3 29110 B12R1.353 CC(CO)OCC1CCCN1C 34a_100000743107_100012180447 [0,1,0,1,0,0|2,0,0]=4 29111 B12R1.353 CC1CCCC1NC[C@@H](F)CO 269862a_100015665980_100000752053 [0,1,0,1,0,0|1,0,0]=3 29112 B12R1.353 CC1CCCC1NC[C@H](O)CO 269862a_100020644852_100000752053 [0,1,0,1,0,0|1,0,0]=3 29113 B12R1.353 CC1CCCC1OCC(O)CO 34a_100011216460_100011219619 [0,1,0,1,0,0|1,0,0]=3 29114 B12R1.353 CC1CCCC1OCC(O)CO 7a_100011216460_100011219619 [0,1,0,1,0,0|1,0,0]=3 29115 B12R1.353 CC1CCCC1OC[C@@H](C)CO 34a_100011216460_100000059175 [0,1,0,1,0,0|1,0,0]=3 29116 B12R1.353 CC1CCCC1OC[C@@H](C)CO 7a_100011216460_100000059175 [0,1,0,1,0,0|1,0,0]=3 29117 B12R1.353 CC1CCCC1OC[C@@H](O)CF 34a_100011216460_100015614560 [0,1,0,1,0,0|2,0,0]=4 29118 B12R1.353 CC1CCCC1OC[C@@H](O)CF 7a_100011216460_100015614560 [0,1,0,1,0,0|2,0,0]=4 29119 B12R1.353 CC1CCCC1OC[C@@H](O)CO 34a_100011216460_100009815848 [0,1,0,1,0,0|1,0,0]=3 29120 B12R1.353 CC1CCCC1OC[C@@H](O)CO 7a_100011216460_100009815848 [0,1,0,1,0,0|1,0,0]=3 29121 B12R1.353 CC1OCCC1NC[C@@H](F)CO 270004a_100015665980_100000691750 [0,1,0,1,0,0|2,0,0]=4 29122 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747405_200016002552 [0,1,0,1,0,0|1,0,1]=4 29123 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747405 [0,1,0,1,0,0|1,0,1]=4 29124 B12R1.353 CCC(C)CNC1CCCC1C 269862a_100020588543_100000752053 [0,1,0,1,0,0|2,0,0]=4 29125 B12R1.353 CCC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000243153 [0,1,0,1,0,0|1,0,0]=3 29126 B12R1.353 CCC(C)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000748023 [0,1,0,1,0,0|2,0,0]=4 29127 B12R1.353 CCC(C)CN[C@H]1COC[C@@H]1O 270004a_100015191717_100000243153 [0,1,0,1,0,0|2,0,0]=4 29128 B12R1.353 CCC(C)COC1CCCC1C 34a_100011216460_100000748023 [0,1,0,1,0,0|2,0,0]=4 29129 B12R1.353 CCC(C)COC1CCCC1C 7a_100011216460_100000748023 [0,1,0,1,0,0|2,0,0]=4 29130 B12R1.353 CCC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000748023 [0,1,0,1,0,0|2,0,0]=4 29131 B12R1.353 CCC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000748023 [0,1,0,1,0,0|2,0,0]=4 29132 B12R1.353 CCC(C)CSC1COCC1O 62a_100000748023_200000725654 [0,1,0,1,0,0|2,0,0]=4 29133 B12R1.353 CCC(C)CSC1COCC1O 62a_200000725654_100000748023 [0,1,0,1,0,0|2,0,0]=4 29134 B12R1.353 CCC(C)CS[C@@H]1CCC[C@H]1O 62a_100000748023_200016002552 [0,1,0,1,0,0|1,0,0]=3 29135 B12R1.353 CCC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000748023 [0,1,0,1,0,0|1,0,0]=3 29136 B12R1.353 CCC(O)CNC1CCCC1C 269862a_100011218483_100000752053 [0,1,0,1,0,0|2,0,0]=4 29137 B12R1.353 CCC(O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218378 [0,1,0,1,0,0|2,0,0]=4 29138 B12R1.353 CCC(O)COC1CCCC1C 34a_100011216460_100011218378 [0,1,0,1,0,0|2,0,0]=4 29139 B12R1.353 CCC(O)COC1CCCC1C 7a_100011216460_100011218378 [0,1,0,1,0,0|2,0,0]=4 29140 B12R1.353 CCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218378 [0,1,0,1,0,0|2,0,0]=4 29141 B12R1.353 CCC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218378 [0,1,0,1,0,0|2,0,0]=4 29142 B12R1.353 CCC(O)CSC1COCC1O 62a_100011218378_200000725654 [0,1,0,1,0,0|2,0,0]=4 29143 B12R1.353 CCC(O)CSC1COCC1O 62a_200000725654_100011218378 [0,1,0,1,0,0|2,0,0]=4 29144 B12R1.353 CCC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218378_200016002552 [0,1,0,1,0,0|1,0,0]=3 29145 B12R1.353 CCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218378 [0,1,0,1,0,0|1,0,0]=3 29146 B12R1.353 CC[C@H](C)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100009816398 [0,1,0,1,0,0|2,0,0]=4 29147 B12R1.353 CC[C@H](C)COC1CCCC1C 34a_100011216460_100009816398 [0,1,0,1,0,0|2,0,0]=4 29148 B12R1.353 CC[C@H](C)COC1CCCC1C 7a_100011216460_100009816398 [0,1,0,1,0,0|2,0,0]=4 29149 B12R1.353 CC[C@H](C)COC1COCC1O 7a_100009816381_200000725654 [0,1,0,1,0,0|2,0,0]=4 29150 B12R1.353 CC[C@H](C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009816398 [0,1,0,1,0,0|2,0,0]=4 29151 B12R1.353 CC[C@H](C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009816398 [0,1,0,1,0,0|2,0,0]=4 29152 B12R1.353 CC[C@H](C)CSC1COCC1O 62a_100009816398_200000725654 [0,1,0,1,0,0|2,0,0]=4 29153 B12R1.353 CC[C@H](C)CSC1COCC1O 62a_200000725654_100009816398 [0,1,0,1,0,0|2,0,0]=4 29154 B12R1.353 CC[C@H](C)CS[C@@H]1CCC[C@H]1O 62a_100009816398_200016002552 [0,1,0,1,0,0|1,0,0]=3 29155 B12R1.353 CC[C@H](C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009816398 [0,1,0,1,0,0|1,0,0]=3 29156 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|1,0,1]=4 29157 B12R1.353 C[C@@H](CO)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000059175 [0,1,0,1,0,0|2,0,0]=4 29158 B12R1.353 C[C@@H](CO)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000059175 [0,1,0,1,0,0|2,0,0]=4 29159 B12R1.353 C[C@@H](CO)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000059175 [0,1,0,1,0,0|2,0,0]=4 29160 B12R1.353 C[C@@H](CO)CS[C@@H]1CCC[C@H]1O 62a_100000059175_200016002552 [0,1,0,1,0,0|2,0,0]=4 29161 B12R1.353 C[C@@H](CO)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000059175 [0,1,0,1,0,0|2,0,0]=4 29162 B12R1.353 C[C@@H]1CNC[C@@H]1OCC(O)CO 34a_200015306588_100011219619 [0,1,0,1,0,0|2,0,0]=4 29163 B12R1.353 C[C@@H]1CNC[C@@H]1OC[C@@H](O)CO 34a_200015306588_100009815848 [0,1,0,1,0,0|2,0,0]=4 29164 B12R1.353 N[C@H]1CCC[C@@H]1OCC(O)CO 34a_100000748460_100011219619 [0,1,0,1,0,0|2,0,0]=4 29165 B12R1.353 N[C@H]1CCC[C@@H]1OC[C@@H](O)CO 34a_100000748460_100009815848 [0,1,0,1,0,0|2,0,0]=4 29166 B12R1.353 OCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011219619 [0,1,0,1,0,0|2,0,0]=4 29167 B12R1.353 OCC(O)CS[C@@H]1CCC[C@H]1O 62a_100011219619_200016002552 [0,1,0,1,0,0|2,0,0]=4 29168 B12R1.353 OCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011219619 [0,1,0,1,0,0|2,0,0]=4 29169 B12R1.353 OC[C@H](O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009815848 [0,1,0,1,0,0|2,0,0]=4 29170 B12R1.353 OC[C@H](O)CS[C@@H]1CCC[C@H]1O 62a_100009815848_200016002552 [0,1,0,1,0,0|2,0,0]=4 29171 B12R1.353 OC[C@H](O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009815848 [0,1,0,1,0,0|2,0,0]=4 29172 B12R1.353 O[C@@H](CF)CS[C@@H]1CCC[C@H]1O 62a_100015614560_200016002552 [0,1,0,1,0,0|2,0,0]=4 29173 B12R1.353 O[C@@H](CF)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100015614560 [0,1,0,1,0,0|2,0,0]=4 29174 B12R1.356 CC(CO)CCNCC1CCC1 2230a_106354213184_100000763275 [0,1,0,1,0,0|1,0,0]=3 29175 B12R1.356 CC(CO)CCNCC1CCC1 269862a_106354213184_100000753134 [0,1,0,1,0,0|1,0,0]=3 29176 B12R1.356 CC(CO)CCNCC1CCC1 34a_106354213184_100000763275 [0,1,0,1,0,0|1,0,0]=3 29177 B12R1.356 CC(CO)CCNCC1CCO1 2230a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 29178 B12R1.356 CC(CO)CCNCC1CCO1 34a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 29179 B12R1.356 CC(CO)CCNCC1COC1 2230a_106354213184_100010264016 [0,1,0,1,0,0|2,0,0]=4 29180 B12R1.356 CC(CO)CCNCC1COC1 34a_106354213184_100010264016 [0,1,0,1,0,0|2,0,0]=4 29181 B12R1.356 CCC(C)CCNCC1CCC1 2230a_100020591266_100000763275 [0,1,0,1,0,0|2,0,0]=4 29182 B12R1.356 CCC(C)CCNCC1CCC1 269862a_100020591266_100000753134 [0,1,0,1,0,0|2,0,0]=4 29183 B12R1.356 CCC(C)CCNCC1CCO1 2230a_100020591266_100000103362 [0,1,0,1,0,0|1,0,0]=3 29184 B12R1.356 CCC(C)CCOCC1CCC1 7a_100011215188_100000763275 [0,1,0,1,0,0|2,0,0]=4 29185 B12R1.356 CCC(C)CCOCC1CCO1 7a_100011215188_100000103362 [0,1,0,1,0,0|1,0,0]=3 29186 B12R1.356 COC(C)CCOCC1CCO1 7a_100000764861_100000103362 [0,1,0,1,0,0|2,0,0]=4 29187 B12R1.356 C[C@@H](CN)CCCOC1CCC1 34a_100160569302_100000749161 [0,1,0,1,0,0|2,0,0]=4 29188 B12R1.356 C[C@@H](CO)COCCC1COC1 34a_100009855314_100000059175 [0,1,0,1,0,0|2,0,0]=4 29189 B12R1.356 OCC(O)COCCC1COC1 34a_100009855314_100011219619 [0,1,0,1,0,0|2,0,0]=4 29190 B12R1.356 OC[C@H](O)COCCC1COC1 34a_100009855314_100009815848 [0,1,0,1,0,0|2,0,0]=4 29191 B12R1.360 CC(CN)COCCCC1CO1 34a_100000744482_100000733510 [0,1,0,1,0,0|2,0,0]=4 29192 B12R1.360 CC(CO)CCNCCC1CC1 2230a_106354213184_100000694398 [0,1,0,1,0,0|1,0,0]=3 29193 B12R1.360 CC(CO)CCNCCC1CC1 34a_106354213184_100000694398 [0,1,0,1,0,0|1,0,0]=3 29194 B12R1.360 CC(CO)CCNCCC1CO1 2230a_106354213184_100000732470 [0,1,0,1,0,0|2,0,0]=4 29195 B12R1.360 CC(CO)CCNCCC1CO1 34a_106354213184_100000732470 [0,1,0,1,0,0|2,0,0]=4 29196 B12R1.360 CC(CO)CNCCCC1CO1 34a_100000744482_100000733510 [0,1,0,1,0,0|2,0,0]=4 29197 B12R1.360 CCC(=O)COCCCC1CO1 34a_100000725409_100000733510 [0,1,0,1,0,0|1,0,1]=4 29198 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000733510_100000747405 [0,1,0,1,0,0|1,0,1]=4 29199 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000747405_100000733510 [0,1,0,1,0,0|1,0,1]=4 29200 B12R1.360 CCC(C)CCCOCC1CC1 7a_100011216074_100000742324 [0,1,0,1,0,0|2,0,0]=4 29201 B12R1.360 CCC(C)CCCOCC1CO1 7a_100011216074_102125554688 [0,1,0,1,0,0|1,0,0]=3 29202 B12R1.360 CCC(C)CCCOCC1CS1 7a_100011216074_100000031435 [0,1,0,1,0,0|1,1,0]=4 29203 B12R1.360 CCC(C)CCCOC[C@@H]1CO1 7a_100011216074_100000745022 [0,1,0,1,0,0|1,0,0]=3 29204 B12R1.360 CCC(C)CCNCCC1CC1 2230a_100020591266_100000694398 [0,1,0,1,0,0|2,0,0]=4 29205 B12R1.360 CCC(C)CCNCCC1CO1 2230a_100020591266_100000732470 [0,1,0,1,0,0|1,0,0]=3 29206 B12R1.360 CCC(C)CCOCCC1CC1 7a_100011215188_100000764125 [0,1,0,1,0,0|2,0,0]=4 29207 B12R1.360 CCC(C)CCOCCC1CO1 7a_100011215188_100000732470 [0,1,0,1,0,0|1,0,0]=3 29208 B12R1.360 CCC(C)CNCCCC1CO1 2230a_100020588543_100000733510 [0,1,0,1,0,0|1,0,0]=3 29209 B12R1.360 CCC(C)CSCCCC1CO1 62a_100000733510_100000748023 [0,1,0,1,0,0|1,0,0]=3 29210 B12R1.360 CCC(C)CSCCCC1CO1 62a_100000748023_100000733510 [0,1,0,1,0,0|1,0,0]=3 29211 B12R1.360 CCC(O)CNCCCC1CO1 2230a_100011218483_100000733510 [0,1,0,1,0,0|1,0,0]=3 29212 B12R1.360 CCC(O)CSCCCC1CO1 62a_100000733510_100011218378 [0,1,0,1,0,0|1,0,0]=3 29213 B12R1.360 CCC(O)CSCCCC1CO1 62a_100011218378_100000733510 [0,1,0,1,0,0|1,0,0]=3 29214 B12R1.360 CCN(C)CCCSCC1CO1 62a_102125554688_100015186262 [0,1,0,1,0,0|2,0,0]=4 29215 B12R1.360 CCN(C)CCCSC[C@@H]1CO1 62a_100000745022_100015186262 [0,1,0,1,0,0|2,0,0]=4 29216 B12R1.360 CC[C@H](C)COCCCC1CO1 7a_100009816381_100000733510 [0,1,0,1,0,0|1,0,0]=3 29217 B12R1.360 CC[C@H](C)CSCCCC1CO1 62a_100000733510_100009816398 [0,1,0,1,0,0|1,0,0]=3 29218 B12R1.360 CC[C@H](C)CSCCCC1CO1 62a_100009816398_100000733510 [0,1,0,1,0,0|1,0,0]=3 29219 B12R1.360 COC(C)CCOCCC1CO1 7a_100000764861_100000732470 [0,1,0,1,0,0|2,0,0]=4 29220 B12R1.360 COC(C)COCCCC1CO1 34a_100000690652_100000733510 [0,1,0,1,0,0|2,0,0]=4 29221 B12R1.360 CO[C@H](C)CNCCCC1CO1 2230a_100020591295_100000733510 [0,1,0,1,0,0|2,0,0]=4 29222 B12R1.360 C[C@@H](CN)CCCOCC1CC1 34a_100160569302_100000742324 [0,1,0,1,0,0|2,0,0]=4 29223 B12R1.360 C[C@@H](CN)CCCOCC1CO1 34a_100160569302_102125554688 [0,1,0,1,0,0|2,0,0]=4 29224 B12R1.360 C[C@@H](CO)COCCNC1CC1 34a_100000738766_100000059175 [0,1,0,1,0,0|2,0,0]=4 29225 B12R1.360 C[C@@H](CO)CSCCCC1CO1 62a_100000059175_100000733510 [0,1,0,1,0,0|2,0,0]=4 29226 B12R1.360 C[C@@H](CO)CSCCCC1CO1 62a_100000733510_100000059175 [0,1,0,1,0,0|2,0,0]=4 29227 B12R1.360 ClCC(Cl)COCCCC1CO1 34a_100000033668_100000733510 [0,1,0,1,0,0|2,0,0]=4 29228 B12R1.360 NC[C@@H](F)COCCCC1CO1 34a_100015665980_100000733510 [0,1,0,1,0,0|2,0,0]=4 29229 B12R1.360 OCC(O)COCCNC1CC1 34a_100000738766_100011219619 [0,1,0,1,0,0|2,0,0]=4 29230 B12R1.360 OCC(O)CSCCCC1CO1 62a_100000733510_100011219619 [0,1,0,1,0,0|2,0,0]=4 29231 B12R1.360 OCC(O)CSCCCC1CO1 62a_100011219619_100000733510 [0,1,0,1,0,0|2,0,0]=4 29232 B12R1.360 OC[C@@H](O)CNCCCC1CO1 2230a_100020644852_100000733510 [0,1,0,1,0,0|2,0,0]=4 29233 B12R1.360 OC[C@H](F)CNCCCC1CO1 34a_100015665980_100000733510 [0,1,0,1,0,0|2,0,0]=4 29234 B12R1.360 OC[C@H](O)COCCNC1CC1 34a_100000738766_100009815848 [0,1,0,1,0,0|2,0,0]=4 29235 B12R1.360 OC[C@H](O)CSCCCC1CO1 62a_100000733510_100009815848 [0,1,0,1,0,0|2,0,0]=4 29236 B12R1.360 OC[C@H](O)CSCCCC1CO1 62a_100009815848_100000733510 [0,1,0,1,0,0|2,0,0]=4 29237 B12R1.360 O[C@@H](CF)CSCCCC1CO1 62a_100000733510_100015614560 [0,1,0,1,0,0|2,0,0]=4 29238 B12R1.360 O[C@@H](CF)CSCCCC1CO1 62a_100015614560_100000733510 [0,1,0,1,0,0|2,0,0]=4 29239 B12R1.371 CC(CF)OC1CCCCC1O 34a_100016041109_100000038908 [0,1,0,1,0,0|2,0,0]=4 29240 B12R1.371 CC(CN)OC1CCCCC1O 34a_100000210904_100000038908 [0,1,0,1,0,0|2,0,0]=4 29241 B12R1.371 CC(CO)NC1CCCCC1C 2230a_100000211402_100012180447 [0,1,0,1,0,0|1,0,0]=3 29242 B12R1.371 CC(CO)NC1CCCCC1C 34a_100000211402_100012180447 [0,1,0,1,0,0|1,0,0]=3 29243 B12R1.371 CC(CO)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100012180447 [0,1,0,1,0,0|2,0,0]=4 29244 B12R1.371 CC(CO)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100012180447 [0,1,0,1,0,0|2,0,0]=4 29245 B12R1.371 CC(CO)OC1CCCCC1C 34a_100000211207_100012180447 [0,1,0,1,0,0|1,0,0]=3 29246 B12R1.371 CC(CO)OC1CCCCC1C 7a_100000211207_100012180447 [0,1,0,1,0,0|1,0,0]=3 29247 B12R1.371 CC(CO)OC1CCCCC1Cl 34a_100000038908_100012180447 [0,1,0,1,0,0|2,0,0]=4 29248 B12R1.371 CC(CO)OC1CCCCC1Cl 7a_100000038908_100012180447 [0,1,0,1,0,0|2,0,0]=4 29249 B12R1.371 CC(CO)OC1CCNCC1C 34a_100011998114_100012180447 [0,1,0,1,0,0|2,0,0]=4 29250 B12R1.371 CC(CO)OC1CNCCC1C 34a_100000696640_100012180447 [0,1,0,1,0,0|2,0,0]=4 29251 B12R1.371 CC(CO)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100012180447 [0,1,0,1,0,0|2,0,0]=4 29252 B12R1.371 CC(CO)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100012180447 [0,1,0,1,0,0|2,0,0]=4 29253 B12R1.371 CC(CO)O[C@H]1CCCC[C@H]1N 34a_100015191688_100012180447 [0,1,0,1,0,0|2,0,0]=4 29254 B12R1.371 CC(CO)SC1CCCCC1F 62a_100012180447_100015423560 [0,1,0,1,0,0|2,0,0]=4 29255 B12R1.371 CC(CO)SC1CCCCC1O 62a_100012180447_100000038908 [0,1,0,1,0,0|2,0,0]=4 29256 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|1,0,1]=4 29257 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|1,0,1]=4 29258 B12R1.371 CC1CCCCC1N[C@H](C)CF 269862a_100102880703_100000210921 [0,1,0,1,0,0|2,0,0]=4 29259 B12R1.371 CC1CCCCC1N[C@H](C)CF 270004a_100102880703_100000210921 [0,1,0,1,0,0|2,0,0]=4 29260 B12R1.371 CC1CCCCC1N[C@H](C)CO 269862a_100000737577_100000210921 [0,1,0,1,0,0|1,0,0]=3 29261 B12R1.371 CC1CCCCC1N[C@H](C)CO 270004a_100000737577_100000210921 [0,1,0,1,0,0|1,0,0]=3 29262 B12R1.371 CC1CCCCN1CC(O)CO 2230a_100000211376_100011219619 [0,1,0,1,0,0|1,0,0]=3 29263 B12R1.371 CC1CCCCN1CC(O)CO 34a_100000211376_100011219619 [0,1,0,1,0,0|1,0,0]=3 29264 B12R1.371 CC1CCCCN1C[C@@H](C)CO 2230a_100000211376_100000059175 [0,1,0,1,0,0|1,0,0]=3 29265 B12R1.371 CC1CCCCN1C[C@@H](C)CO 269982a_100000211376_100000059175 [0,1,0,1,0,0|1,0,0]=3 29266 B12R1.371 CC1CCCCN1C[C@@H](C)CO 34a_100000211376_100000059175 [0,1,0,1,0,0|1,0,0]=3 29267 B12R1.371 CC1CCCCN1C[C@@H](O)CF 2230a_100000211376_100015614560 [0,1,0,1,0,0|2,0,0]=4 29268 B12R1.371 CC1CCCCN1C[C@@H](O)CF 34a_100000211376_100015614560 [0,1,0,1,0,0|2,0,0]=4 29269 B12R1.371 CC1CCCCN1C[C@@H](O)CO 2230a_100000211376_100009815848 [0,1,0,1,0,0|1,0,0]=3 29270 B12R1.371 CC1CCCCN1C[C@@H](O)CO 34a_100000211376_100009815848 [0,1,0,1,0,0|1,0,0]=3 29271 B12R1.371 CC1CNCCC1N[C@H](C)CO 270004a_100000737577_100000703950 [0,1,0,1,0,0|2,0,0]=4 29272 B12R1.371 CC1COCCC1N[C@H](C)CO 270004a_100000737577_100000755695 [0,1,0,1,0,0|2,0,0]=4 29273 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,1,0,1,0,0|1,0,1]=4 29274 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,1,0,1,0,0|1,0,1]=4 29275 B12R1.371 CCC(C)CN1CCCCC1C 2230a_100000211376_100000748023 [0,1,0,1,0,0|2,0,0]=4 29276 B12R1.371 CCC(C)CN1CCCCC1C 269982a_100000211376_100000748023 [0,1,0,1,0,0|2,0,0]=4 29277 B12R1.371 CCC(C)CN1CCCCC1C 270004a_100000211376_100000243153 [0,1,0,1,0,0|2,0,0]=4 29278 B12R1.371 CCC(C)CN1CCCCC1C 34a_100000211376_100000748023 [0,1,0,1,0,0|2,0,0]=4 29279 B12R1.371 CCC(C)NC1CCCCC1C 2230a_100000211402_100000758301 [0,1,0,1,0,0|2,0,0]=4 29280 B12R1.371 CCC(C)NC1CCCCC1C 269862a_100000209981_100000210921 [0,1,0,1,0,0|2,0,0]=4 29281 B12R1.371 CCC(C)NC1CCCCC1C 270004a_100000209981_100000210921 [0,1,0,1,0,0|2,0,0]=4 29282 B12R1.371 CCC(C)NC1CCCCC1C 34a_100000211402_100011215416 [0,1,0,1,0,0|2,0,0]=4 29283 B12R1.371 CCC(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000758301 [0,1,0,1,0,0|2,0,0]=4 29284 B12R1.371 CCC(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100011215416 [0,1,0,1,0,0|2,0,0]=4 29285 B12R1.371 CCC(C)N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000758301 [0,1,0,1,0,0|2,0,0]=4 29286 B12R1.371 CCC(C)N[C@H]1COCC[C@@H]1O 2230a_100015739063_100000758301 [0,1,0,1,0,0|2,0,0]=4 29287 B12R1.371 CCC(C)OC1CCCCC1C 34a_100000211207_100011215416 [0,1,0,1,0,0|2,0,0]=4 29288 B12R1.371 CCC(C)OC1CCCCC1C 7a_100000211207_100000758301 [0,1,0,1,0,0|2,0,0]=4 29289 B12R1.371 CCC(C)OC1CCCCC1Cl 34a_100000038908_100011215416 [0,1,0,1,0,0|2,0,0]=4 29290 B12R1.371 CCC(C)OC1CCCCC1Cl 7a_100000038908_100000758301 [0,1,0,1,0,0|2,0,0]=4 29291 B12R1.371 CCC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100011215416 [0,1,0,1,0,0|2,0,0]=4 29292 B12R1.371 CCC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000758301 [0,1,0,1,0,0|2,0,0]=4 29293 B12R1.371 CCC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100011215416 [0,1,0,1,0,0|2,0,0]=4 29294 B12R1.371 CCC(C)SC1CCCCC1F 62a_100000758301_100015423560 [0,1,0,1,0,0|2,0,0]=4 29295 B12R1.371 CCC(C)SC1CCCCC1F 62a_100015423560_100000758301 [0,1,0,1,0,0|2,0,0]=4 29296 B12R1.371 CCC(C)SC1CCCCC1O 62a_100000038908_100000758301 [0,1,0,1,0,0|1,0,0]=3 29297 B12R1.371 CCC(C)SC1CCCCC1O 62a_100000758301_100000038908 [0,1,0,1,0,0|1,0,0]=3 29298 B12R1.371 CCC(O)CN1CCCCC1C 2230a_100000211376_100011218378 [0,1,0,1,0,0|2,0,0]=4 29299 B12R1.371 CCC(O)CN1CCCCC1C 269982a_100000211376_100011218378 [0,1,0,1,0,0|2,0,0]=4 29300 B12R1.371 CCC(O)CN1CCCCC1C 34a_100000211376_100011218378 [0,1,0,1,0,0|2,0,0]=4 29301 B12R1.371 CC[C@H](C)CN1CCCCC1C 2230a_100000211376_100009816398 [0,1,0,1,0,0|2,0,0]=4 29302 B12R1.371 CC[C@H](C)CN1CCCCC1C 269982a_100000211376_100009816398 [0,1,0,1,0,0|2,0,0]=4 29303 B12R1.371 CC[C@H](C)CN1CCCCC1C 34a_100000211376_100009816398 [0,1,0,1,0,0|2,0,0]=4 29304 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,1,0,1,0,0|1,0,1]=4 29305 B12R1.371 COC(C)SC1CCCCC1O 62a_100000038908_100009879195 [0,1,0,1,0,0|2,0,0]=4 29306 B12R1.371 COC(C)SC1CCCCC1O 62a_100009879195_100000038908 [0,1,0,1,0,0|2,0,0]=4 29307 B12R1.371 C[C@@H](CO)CN1CCOC[C@@H]1C 2230a_100009815349_100000059175 [0,1,0,1,0,0|2,0,0]=4 29308 B12R1.371 C[C@@H](CO)CN1CCOC[C@@H]1C 269982a_100009815349_100000059175 [0,1,0,1,0,0|2,0,0]=4 29309 B12R1.371 C[C@@H](CO)CN1CCOC[C@@H]1C 34a_100009815349_100000059175 [0,1,0,1,0,0|2,0,0]=4 29310 B12R1.371 C[C@H](CO)SC1CCCCC1F 62a_100015423560_100016084084 [0,1,0,1,0,0|2,0,0]=4 29311 B12R1.371 C[C@H](CO)SC1CCCCC1F 62a_100016084084_100015423560 [0,1,0,1,0,0|2,0,0]=4 29312 B12R1.371 C[C@H](CO)SC1CCCCC1O 62a_100000038908_100016084084 [0,1,0,1,0,0|2,0,0]=4 29313 B12R1.371 C[C@H](CO)SC1CCCCC1O 62a_100016084084_100000038908 [0,1,0,1,0,0|2,0,0]=4 29314 B12R1.371 C[C@H]1COCCN1CC(O)CO 2230a_100009815349_100011219619 [0,1,0,1,0,0|2,0,0]=4 29315 B12R1.371 C[C@H]1COCCN1CC(O)CO 34a_100009815349_100011219619 [0,1,0,1,0,0|2,0,0]=4 29316 B12R1.371 C[C@H]1COCCN1C[C@@H](O)CO 2230a_100009815349_100009815848 [0,1,0,1,0,0|2,0,0]=4 29317 B12R1.371 C[C@H]1COCCN1C[C@@H](O)CO 34a_100009815349_100009815848 [0,1,0,1,0,0|2,0,0]=4 29318 B12R1.382 CCC1CCCC(C1)NCCO 270004a_100000210304_100000756783 [0,1,0,1,0,0|1,0,0]=3 29319 B12R1.382 CCC1CCCC(C1)OCCF 7a_100011985506_100011217306 [0,1,0,1,0,0|2,0,0]=4 29320 B12R1.382 CCC1CCCC(C1)OCCO 7a_100011985506_100000211926 [0,1,0,1,0,0|1,0,0]=3 29321 B12R1.382 CCC1CN(CCO1)CCCO 2230a_100000736320_100000230001 [0,1,0,1,0,0|2,0,0]=4 29322 B12R1.382 CCC1CN(CCO1)CCCO 269982a_100000736320_100011215043 [0,1,0,1,0,0|2,0,0]=4 29323 B12R1.382 CCC1CN(CCO1)CCCO 34a_100000736320_100000230001 [0,1,0,1,0,0|2,0,0]=4 29324 B12R1.382 CCCCN1CCCC(C1)CF 2230a_100016992999_100000210211 [0,1,0,1,0,0|2,0,0]=4 29325 B12R1.382 CCCCN1CCCC(C1)CF 269982a_100016992999_100000210211 [0,1,0,1,0,0|2,0,0]=4 29326 B12R1.382 CCCCN1CCCC(C1)CF 34a_100016992999_100000210210 [0,1,0,1,0,0|2,0,0]=4 29327 B12R1.382 CCCCN1CCCC(C1)CO 2230a_100000211344_100000210211 [0,1,0,1,0,0|1,0,0]=3 29328 B12R1.382 CCCCN1CCCC(C1)CO 269982a_100000211344_100000210211 [0,1,0,1,0,0|1,0,0]=3 29329 B12R1.382 CCCCN1CCCC(C1)CO 34a_100000211344_100000210210 [0,1,0,1,0,0|1,0,0]=3 29330 B12R1.382 CCCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210211 [0,1,0,1,0,0|2,0,0]=4 29331 B12R1.382 CCCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000210211 [0,1,0,1,0,0|2,0,0]=4 29332 B12R1.382 CCCCN1CCO[C@@H](C1)CO 34a_100015189573_100000210210 [0,1,0,1,0,0|2,0,0]=4 29333 B12R1.382 CCCNC1CCCC(C1)CC 270004a_100020643023_100000756783 [0,1,0,1,0,0|2,0,0]=4 29334 B12R1.382 CCCOC1CCCC(C1)CC 7a_100011985506_100000210303 [0,1,0,1,0,0|2,0,0]=4 29335 B12R1.382 CCCOC1CCCC(C1)CN 34a_100011254705_100000210303 [0,1,0,1,0,0|2,0,0]=4 29336 B12R1.382 CCN1CCCC(C1)CCCO 2230a_100150707839_100000210202 [0,1,0,1,0,0|1,0,0]=3 29337 B12R1.382 CCN1CCCC(C1)CCCO 269982a_100150707839_100000204670 [0,1,0,1,0,0|1,0,0]=3 29338 B12R1.382 CCN1CCCC(C1)CCCO 34a_100150707839_100000210202 [0,1,0,1,0,0|1,0,0]=3 29339 B12R1.382 CCN1CCC[C@H](C1)NCCO 2230a_100025775482_100000211926 [0,1,0,1,0,0|2,0,0]=4 29340 B12R1.382 CCOCN1CCCC(C1)CO 269982a_100000211344_100000739092 [0,1,0,1,0,0|2,0,0]=4 29341 B12R1.382 COC1CCCN(C1)CCCO 2230a_100000695604_100000230001 [0,1,0,1,0,0|2,0,0]=4 29342 B12R1.382 COC1CCCN(C1)CCCO 269982a_100000695604_100011215043 [0,1,0,1,0,0|2,0,0]=4 29343 B12R1.382 COC1CCCN(C1)CCCO 34a_100000695604_100000230001 [0,1,0,1,0,0|2,0,0]=4 29344 B12R1.382 COCCN1CCCC(C1)CO 2230a_100000211344_100011201679 [0,1,0,1,0,0|2,0,0]=4 29345 B12R1.382 COCCN1CCCC(C1)CO 269982a_100000211344_100000233755 [0,1,0,1,0,0|2,0,0]=4 29346 B12R1.382 COCCN1CCCC(C1)CO 34a_100000211344_100011201679 [0,1,0,1,0,0|2,0,0]=4 29347 B12R1.382 CSC1CCCC(C1)NCCO 270004a_100000210304_100012138059 [0,1,0,1,0,0|2,0,0]=4 29348 B12R1.382 CSCCN1CCCC(C1)CO 2230a_100000211344_100000751147 [0,1,0,1,0,0|2,0,0]=4 29349 B12R1.382 CSCCN1CCCC(C1)CO 269982a_100000211344_100000212216 [0,1,0,1,0,0|2,0,0]=4 29350 B12R1.382 CSCCN1CCCC(C1)CO 34a_100000211344_100000212216 [0,1,0,1,0,0|2,0,0]=4 29351 B12R1.382 NCC1CCCC(C1)OCCO 34a_100011254705_100000211926 [0,1,0,1,0,0|2,0,0]=4 29352 B12R1.382 OCC1CCCN(C1)CCCF 2230a_100000211344_100011934791 [0,1,0,1,0,0|2,0,0]=4 29353 B12R1.382 OCC1CCCN(C1)CCCF 269982a_100000211344_100011934791 [0,1,0,1,0,0|2,0,0]=4 29354 B12R1.382 OCC1CCCN(C1)CCCF 34a_100000211344_100011934791 [0,1,0,1,0,0|2,0,0]=4 29355 B12R1.382 OCCCC1CCCN(C1)CF 269982a_100150707839_100015361967 [0,1,0,1,0,0|2,0,0]=4 29356 B12R1.382 OCCCC1CCCN(C1)CF 34a_100150707839_100015361967 [0,1,0,1,0,0|2,0,0]=4 29357 B12R1.382 OCCCN1CCCC(C1)CF 2230a_100016992999_100000230001 [0,1,0,1,0,0|2,0,0]=4 29358 B12R1.382 OCCCN1CCCC(C1)CF 269982a_100016992999_100011215043 [0,1,0,1,0,0|2,0,0]=4 29359 B12R1.382 OCCCN1CCCC(C1)CF 34a_100016992999_100000230001 [0,1,0,1,0,0|2,0,0]=4 29360 B12R1.382 OCCCN1CCCC(C1)CO 2230a_100000211344_100000230001 [0,1,0,1,0,0|2,0,0]=4 29361 B12R1.382 OCCCN1CCCC(C1)CO 269982a_100000211344_100011215043 [0,1,0,1,0,0|2,0,0]=4 29362 B12R1.382 OCCCN1CCCC(C1)CO 34a_100000211344_100000230001 [0,1,0,1,0,0|2,0,0]=4 29363 B12R1.387 CCCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210211 [0,1,0,1,0,0|1,0,0]=3 29364 B12R1.387 CCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210211 [0,1,0,1,0,0|1,0,0]=3 29365 B12R1.387 CCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210210 [0,1,0,1,0,0|1,0,0]=3 29366 B12R1.387 CCOCN1CCC[C@@]1(C)CO 269982a_100016195882_100000739092 [0,1,0,1,0,0|2,0,0]=4 29367 B12R1.387 COCCN1CCC[C@@]1(C)CO 2230a_100016195882_100011201679 [0,1,0,1,0,0|2,0,0]=4 29368 B12R1.387 COCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000233755 [0,1,0,1,0,0|2,0,0]=4 29369 B12R1.387 COCCN1CCC[C@@]1(C)CO 34a_100016195882_100011201679 [0,1,0,1,0,0|2,0,0]=4 29370 B12R1.387 CSCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000751147 [0,1,0,1,0,0|2,0,0]=4 29371 B12R1.387 CSCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000212216 [0,1,0,1,0,0|2,0,0]=4 29372 B12R1.387 CSCCN1CCC[C@@]1(C)CO 34a_100016195882_100000212216 [0,1,0,1,0,0|2,0,0]=4 29373 B12R1.387 C[C@]1(CCCN1CCCF)CO 2230a_100016195882_100011934791 [0,1,0,1,0,0|2,0,0]=4 29374 B12R1.387 C[C@]1(CCCN1CCCF)CO 269982a_100016195882_100011934791 [0,1,0,1,0,0|2,0,0]=4 29375 B12R1.387 C[C@]1(CCCN1CCCF)CO 34a_100016195882_100011934791 [0,1,0,1,0,0|2,0,0]=4 29376 B12R1.387 C[C@]1(CCCN1CCCO)CO 2230a_100016195882_100000230001 [0,1,0,1,0,0|2,0,0]=4 29377 B12R1.387 C[C@]1(CCCN1CCCO)CO 269982a_100016195882_100011215043 [0,1,0,1,0,0|2,0,0]=4 29378 B12R1.387 C[C@]1(CCCN1CCCO)CO 34a_100016195882_100000230001 [0,1,0,1,0,0|2,0,0]=4 29379 B12R1.455 CCC1CCC(C1)NCCCF 270004a_100015189416_100011218773 [0,1,0,1,0,0|2,0,0]=4 29380 B12R1.455 CCC1CCC(C1)NCCCO 270004a_100000182051_100011218773 [0,1,0,1,0,0|1,0,0]=3 29381 B12R1.455 CCCCCN1CCC(C1)CO 2230a_100000748654_100000210326 [0,1,0,1,0,0|1,0,0]=3 29382 B12R1.455 CCCCCN1CCC(C1)CO 269982a_100000748654_100000210215 [0,1,0,1,0,0|1,0,0]=3 29383 B12R1.455 CCCCCN1CCC(C1)CO 34a_100000748654_100000718602 [0,1,0,1,0,0|1,0,0]=3 29384 B12R1.455 CCCCNC1CCC(C1)CC 270004a_100000102301_100011218773 [0,1,0,1,0,0|2,0,0]=4 29385 B12R1.455 CCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210303 [0,1,0,1,0,0|1,0,0]=3 29386 B12R1.455 CCCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210303 [0,1,0,1,0,0|2,0,0]=4 29387 B12R1.455 CCN1CCC(C1)CNCCO 2230a_100011224064_100000211926 [0,1,0,1,0,0|2,0,0]=4 29388 B12R1.455 CCN1CCC(C1)CNCCO 2230a_100016997473_100015184589 [0,1,0,1,0,0|2,0,0]=4 29389 B12R1.455 CCN1CCC(C1)CSCCO 62a_100000211926_100015184589 [0,1,0,1,0,0|2,0,0]=4 29390 B12R1.455 CCN1CCC(C1)CSCCO 62a_100015184589_100000211926 [0,1,0,1,0,0|2,0,0]=4 29391 B12R1.455 CCN1CCC(C1)NCCCO 2230a_100015188829_100000230001 [0,1,0,1,0,0|2,0,0]=4 29392 B12R1.455 CCN1CCC(C1)SCCCO 62a_100011215043_200011861547 [0,1,0,1,0,0|2,0,0]=4 29393 B12R1.455 CCOCCN1CCC(C1)CO 2230a_100000748654_100011215890 [0,1,0,1,0,0|2,0,0]=4 29394 B12R1.455 CCOCCN1CCC(C1)CO 269982a_100000748654_100011215890 [0,1,0,1,0,0|2,0,0]=4 29395 B12R1.455 CCOCCN1CCC(C1)CO 34a_100000748654_100000210147 [0,1,0,1,0,0|2,0,0]=4 29396 B12R1.455 CCSCCN1CCC(C1)CO 2230a_100000748654_100000757381 [0,1,0,1,0,0|2,0,0]=4 29397 B12R1.455 CCSCCN1CCC(C1)CO 269982a_100000748654_100000757381 [0,1,0,1,0,0|2,0,0]=4 29398 B12R1.455 CCSCCN1CCC(C1)CO 34a_100000748654_100000757381 [0,1,0,1,0,0|2,0,0]=4 29399 B12R1.455 COCCCN1CCC(C1)CO 2230a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 29400 B12R1.455 COCCCN1CCC(C1)CO 269982a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 29401 B12R1.455 COCCCN1CCC(C1)CO 34a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 29402 B12R1.455 CO[C@@H]1CCN(C1)CCCCO 2230a_100000766984_100000210776 [0,1,0,1,0,0|2,0,0]=4 29403 B12R1.455 CO[C@@H]1CCN(C1)CCCCO 269982a_100000766984_100000210776 [0,1,0,1,0,0|2,0,0]=4 29404 B12R1.455 CSCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011218213 [0,1,0,1,0,0|2,0,0]=4 29405 B12R1.455 NC[C@@H]1CC[C@@H](C1)COCCO 34a_206354213956_100000211926 [0,1,0,1,0,0|2,0,0]=4 29406 B12R1.455 OCC1CCN(C1)CCCCF 2230a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 29407 B12R1.455 OCC1CCN(C1)CCCCF 269982a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 29408 B12R1.455 OCC1CCN(C1)CCCCF 34a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 29409 B12R1.455 OCCCCN1CCC(C1)CO 2230a_100000748654_100000210776 [0,1,0,1,0,0|2,0,0]=4 29410 B12R1.455 OCCCCN1CCC(C1)CO 269982a_100000748654_100000210776 [0,1,0,1,0,0|2,0,0]=4 29411 B12R1.455 OCCCCN1CCC(C1)CO 34a_100000748654_100011216708 [0,1,0,1,0,0|2,0,0]=4 29412 B12R1.455 OCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000211926 [0,1,0,1,0,0|2,0,0]=4 29413 B12R1.455 OC[C@H]1CC[C@H](C1)CNCCF 34a_206354213956_100011217306 [0,1,0,1,0,0|2,0,0]=4 29414 B12R1.477 CC(CF)OCCC1CCCC1 34a_100016041109_100000760354 [0,1,0,1,0,0|2,0,0]=4 29415 B12R1.477 CC(CF)OCCC1CCCC1 7a_100016041109_100000760354 [0,1,0,1,0,0|2,0,0]=4 29416 B12R1.477 CC(CN)COCC1CCCC1 34a_100000744482_100000740388 [0,1,0,1,0,0|2,0,0]=4 29417 B12R1.477 CC(CN)OCCC1CCCC1 34a_100000210904_100000760354 [0,1,0,1,0,0|2,0,0]=4 29418 B12R1.477 CC(CO)CCNC1CCCC1 2230a_106354213184_100000179811 [0,1,0,1,0,0|1,0,0]=3 29419 B12R1.477 CC(CO)CCNC1CCCC1 270004a_106354213184_100000210133 [0,1,0,1,0,0|1,0,0]=3 29420 B12R1.477 CC(CO)CCNC1CCCC1 34a_106354213184_100000179811 [0,1,0,1,0,0|1,0,0]=3 29421 B12R1.477 CC(CO)CCNC1CCOC1 2230a_106354213184_100000731011 [0,1,0,1,0,0|2,0,0]=4 29422 B12R1.477 CC(CO)CCNC1CCOC1 270004a_106354213184_100000752484 [0,1,0,1,0,0|2,0,0]=4 29423 B12R1.477 CC(CO)CCNC1CCOC1 34a_106354213184_100000690089 [0,1,0,1,0,0|2,0,0]=4 29424 B12R1.477 CC(CO)CCNC1CCSC1 270004a_106354213184_100000212027 [0,1,0,1,0,0|2,0,0]=4 29425 B12R1.477 CC(CO)CNCC1CCCC1 269862a_100000744482_100000746403 [0,1,0,1,0,0|1,0,0]=3 29426 B12R1.477 CC(CO)CNCC1CCCC1 34a_100000744482_100000740388 [0,1,0,1,0,0|1,0,0]=3 29427 B12R1.477 CC(CO)CNCC1CCOC1 34a_100000744482_100011261433 [0,1,0,1,0,0|2,0,0]=4 29428 B12R1.477 CC(CO)NCCC1CCCC1 2230a_100000739158_100012180447 [0,1,0,1,0,0|1,0,0]=3 29429 B12R1.477 CC(CO)NCCC1CCCC1 34a_100000739158_100012180447 [0,1,0,1,0,0|1,0,0]=3 29430 B12R1.477 CC(CO)OCCC1CCCC1 34a_100000749090_100012180447 [0,1,0,1,0,0|1,0,0]=3 29431 B12R1.477 CC(CO)OCCC1CCCC1 7a_100000749090_100012180447 [0,1,0,1,0,0|1,0,0]=3 29432 B12R1.477 CC(CO)OCCC1CCNC1 34a_100016987287_100012180447 [0,1,0,1,0,0|2,0,0]=4 29433 B12R1.477 CC(CO)OCCC1CCOC1 34a_100011879284_100012180447 [0,1,0,1,0,0|2,0,0]=4 29434 B12R1.477 CC(CO)SCCC1CCCC1 62a_100012180447_100000760354 [0,1,0,1,0,0|1,0,0]=3 29435 B12R1.477 CC(CO)SCCN1CCCC1 62a_100012180447_100000004467 [0,1,0,1,0,0|2,0,0]=4 29436 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|1,0,1]=4 29437 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [0,1,0,1,0,0|1,0,1]=4 29438 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,1,0,1,0,0|1,0,1]=4 29439 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,1,0,1,0,0|1,0,1]=4 29440 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [0,1,0,1,0,0|1,0,1]=4 29441 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [0,1,0,1,0,0|1,0,1]=4 29442 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [0,1,0,1,0,0|1,0,1]=4 29443 B12R1.477 CCC(C)CCNC1CCCC1 2230a_100020591266_100000179811 [0,1,0,1,0,0|2,0,0]=4 29444 B12R1.477 CCC(C)CCNC1CCCC1 270004a_100020591266_100000210133 [0,1,0,1,0,0|2,0,0]=4 29445 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,1,0,1,0,0|2,0,0]=4 29446 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100000737975_100000748023 [0,1,0,1,0,0|2,0,0]=4 29447 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100020588543_100000740388 [0,1,0,1,0,0|2,0,0]=4 29448 B12R1.477 CCC(C)CNCC1CCCC1 269862a_100020588543_100000746403 [0,1,0,1,0,0|2,0,0]=4 29449 B12R1.477 CCC(C)CNCC1CCCC1 270004a_100000737975_100000243153 [0,1,0,1,0,0|2,0,0]=4 29450 B12R1.477 CCC(C)CNCC1CCCC1 34a_100000737975_100000748023 [0,1,0,1,0,0|2,0,0]=4 29451 B12R1.477 CCC(C)CNCC1CCCO1 2230a_100020588543_100000203698 [0,1,0,1,0,0|1,0,0]=3 29452 B12R1.477 CCC(C)CNCC1OCCO1 2230a_100000036311_100000748023 [0,1,0,1,0,0|2,0,0]=4 29453 B12R1.477 CCC(C)CNCC1OCCO1 2230a_100020588543_100000755774 [0,1,0,1,0,0|2,0,0]=4 29454 B12R1.477 CCC(C)CNCC1OCCO1 270004a_100000036311_100000243153 [0,1,0,1,0,0|2,0,0]=4 29455 B12R1.477 CCC(C)CNCC1OCCO1 34a_100000036311_100000748023 [0,1,0,1,0,0|2,0,0]=4 29456 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000748023 [0,1,0,1,0,0|1,0,0]=3 29457 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000243153 [0,1,0,1,0,0|1,0,0]=3 29458 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000748023 [0,1,0,1,0,0|1,0,0]=3 29459 B12R1.477 CCC(C)COCC1CCCC1 34a_100000742336_100000748023 [0,1,0,1,0,0|2,0,0]=4 29460 B12R1.477 CCC(C)COCC1CCCC1 7a_100000742336_100000748023 [0,1,0,1,0,0|2,0,0]=4 29461 B12R1.477 CCC(C)COCC1CCCO1 34a_100000210270_100000748023 [0,1,0,1,0,0|1,0,0]=3 29462 B12R1.477 CCC(C)COCC1CCCO1 7a_100000210270_100000748023 [0,1,0,1,0,0|1,0,0]=3 29463 B12R1.477 CCC(C)COCC1COCO1 34a_100011216627_100000748023 [0,1,0,1,0,0|2,0,0]=4 29464 B12R1.477 CCC(C)COCC1OCCO1 34a_100000087154_100000748023 [0,1,0,1,0,0|2,0,0]=4 29465 B12R1.477 CCC(C)COC[C@H]1CCCN1 34a_100000745186_100000748023 [0,1,0,1,0,0|2,0,0]=4 29466 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000740388_100000748023 [0,1,0,1,0,0|2,0,0]=4 29467 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000748023_100000740388 [0,1,0,1,0,0|2,0,0]=4 29468 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000203698_100000748023 [0,1,0,1,0,0|1,0,0]=3 29469 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000748023_100000203698 [0,1,0,1,0,0|1,0,0]=3 29470 B12R1.477 CCC(C)CSCC1OCCO1 62a_100000748023_100000755774 [0,1,0,1,0,0|2,0,0]=4 29471 B12R1.477 CCC(C)CSCC1OCCO1 62a_100000755774_100000748023 [0,1,0,1,0,0|2,0,0]=4 29472 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000209981_100000760354 [0,1,0,1,0,0|2,0,0]=4 29473 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000739158_100000758301 [0,1,0,1,0,0|2,0,0]=4 29474 B12R1.477 CCC(C)NCCC1CCCC1 34a_100000739158_100011215416 [0,1,0,1,0,0|2,0,0]=4 29475 B12R1.477 CCC(C)NCCC1OCCO1 2230a_100000034215_100000758301 [0,1,0,1,0,0|2,0,0]=4 29476 B12R1.477 CCC(C)NCCC1OCCO1 2230a_100000209981_100000740749 [0,1,0,1,0,0|2,0,0]=4 29477 B12R1.477 CCC(C)NCCC1OCCO1 34a_100000034215_100011215416 [0,1,0,1,0,0|2,0,0]=4 29478 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,1,0,1,0,0|2,0,0]=4 29479 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,1,0,1,0,0|2,0,0]=4 29480 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,1,0,1,0,0|2,0,0]=4 29481 B12R1.477 CCC(C)OCCC1OCCO1 7a_100000210228_100000740749 [0,1,0,1,0,0|2,0,0]=4 29482 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000758301_100000760354 [0,1,0,1,0,0|2,0,0]=4 29483 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000760354_100000758301 [0,1,0,1,0,0|2,0,0]=4 29484 B12R1.477 CCC(C)SCCC1OCCO1 62a_100000758301_100000740749 [0,1,0,1,0,0|2,0,0]=4 29485 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100000737975_100011218378 [0,1,0,1,0,0|2,0,0]=4 29486 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100011218483_100000740388 [0,1,0,1,0,0|2,0,0]=4 29487 B12R1.477 CCC(O)CNCC1CCCC1 269862a_100011218483_100000746403 [0,1,0,1,0,0|2,0,0]=4 29488 B12R1.477 CCC(O)CNCC1CCCC1 34a_100000737975_100011218378 [0,1,0,1,0,0|2,0,0]=4 29489 B12R1.477 CCC(O)CNCC1CCCO1 2230a_100011218483_100000203698 [0,1,0,1,0,0|1,0,0]=3 29490 B12R1.477 CCC(O)CNCC1OCCO1 2230a_100000036311_100011218378 [0,1,0,1,0,0|2,0,0]=4 29491 B12R1.477 CCC(O)CNCC1OCCO1 2230a_100011218483_100000755774 [0,1,0,1,0,0|2,0,0]=4 29492 B12R1.477 CCC(O)CNCC1OCCO1 34a_100000036311_100011218378 [0,1,0,1,0,0|2,0,0]=4 29493 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218378 [0,1,0,1,0,0|1,0,0]=3 29494 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218378 [0,1,0,1,0,0|1,0,0]=3 29495 B12R1.477 CCC(O)COCC1CCCC1 34a_100000742336_100011218378 [0,1,0,1,0,0|2,0,0]=4 29496 B12R1.477 CCC(O)COCC1CCCC1 7a_100000742336_100011218378 [0,1,0,1,0,0|2,0,0]=4 29497 B12R1.477 CCC(O)COCC1CCCO1 34a_100000210270_100011218378 [0,1,0,1,0,0|1,0,0]=3 29498 B12R1.477 CCC(O)COCC1CCCO1 7a_100000210270_100011218378 [0,1,0,1,0,0|1,0,0]=3 29499 B12R1.477 CCC(O)COCC1COCO1 34a_100011216627_100011218378 [0,1,0,1,0,0|2,0,0]=4 29500 B12R1.477 CCC(O)COCC1OCCO1 34a_100000087154_100011218378 [0,1,0,1,0,0|2,0,0]=4 29501 B12R1.477 CCC(O)COC[C@H]1CCCN1 34a_100000745186_100011218378 [0,1,0,1,0,0|2,0,0]=4 29502 B12R1.477 CCC(O)CSCC1CCCC1 62a_100000740388_100011218378 [0,1,0,1,0,0|2,0,0]=4 29503 B12R1.477 CCC(O)CSCC1CCCC1 62a_100011218378_100000740388 [0,1,0,1,0,0|2,0,0]=4 29504 B12R1.477 CCC(O)CSCC1CCCO1 62a_100000203698_100011218378 [0,1,0,1,0,0|1,0,0]=3 29505 B12R1.477 CCC(O)CSCC1CCCO1 62a_100011218378_100000203698 [0,1,0,1,0,0|1,0,0]=3 29506 B12R1.477 CCC(O)CSCC1OCCO1 62a_100000755774_100011218378 [0,1,0,1,0,0|2,0,0]=4 29507 B12R1.477 CCC(O)CSCC1OCCO1 62a_100011218378_100000755774 [0,1,0,1,0,0|2,0,0]=4 29508 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 29509 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 29510 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 29511 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [0,1,0,1,0,0|2,0,0]=4 29512 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 29513 B12R1.477 CCN(C)CCCC1CCCO1 2230a_100011698863_100000210202 [0,1,0,1,0,0|1,0,0]=3 29514 B12R1.477 CCN(C)CCCC1CCCO1 269982a_100011698863_100000204670 [0,1,0,1,0,0|1,0,0]=3 29515 B12R1.477 CCN(C)CCCC1CCCO1 34a_100011698863_100000210202 [0,1,0,1,0,0|1,0,0]=3 29516 B12R1.477 CCN(C)CCCC1OCCO1 2230a_100000225621_100000042513 [0,1,0,1,0,0|2,0,0]=4 29517 B12R1.477 CCN(C)CCCC1OCCO1 269982a_100000225621_100000042513 [0,1,0,1,0,0|2,0,0]=4 29518 B12R1.477 CC[C@H](C)CNCC1CCCC1 2230a_100000737975_100009816398 [0,1,0,1,0,0|2,0,0]=4 29519 B12R1.477 CC[C@H](C)CNCC1CCCC1 34a_100000737975_100009816398 [0,1,0,1,0,0|2,0,0]=4 29520 B12R1.477 CC[C@H](C)CNCC1OCCO1 2230a_100000036311_100009816398 [0,1,0,1,0,0|2,0,0]=4 29521 B12R1.477 CC[C@H](C)CNCC1OCCO1 34a_100000036311_100009816398 [0,1,0,1,0,0|2,0,0]=4 29522 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 2230a_100020590478_100009816398 [0,1,0,1,0,0|1,0,0]=3 29523 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 34a_100020590478_100009816398 [0,1,0,1,0,0|1,0,0]=3 29524 B12R1.477 CC[C@H](C)COCC1CCCC1 34a_100000742336_100009816398 [0,1,0,1,0,0|2,0,0]=4 29525 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100000742336_100009816398 [0,1,0,1,0,0|2,0,0]=4 29526 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100009816381_100000740388 [0,1,0,1,0,0|2,0,0]=4 29527 B12R1.477 CC[C@H](C)COCC1CCCO1 34a_100000210270_100009816398 [0,1,0,1,0,0|1,0,0]=3 29528 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100000210270_100009816398 [0,1,0,1,0,0|1,0,0]=3 29529 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100009816381_100000203698 [0,1,0,1,0,0|1,0,0]=3 29530 B12R1.477 CC[C@H](C)COCC1COCO1 34a_100011216627_100009816398 [0,1,0,1,0,0|2,0,0]=4 29531 B12R1.477 CC[C@H](C)COCC1OCCO1 34a_100000087154_100009816398 [0,1,0,1,0,0|2,0,0]=4 29532 B12R1.477 CC[C@H](C)COCC1OCCO1 7a_100009816381_100000755774 [0,1,0,1,0,0|2,0,0]=4 29533 B12R1.477 CC[C@H](C)COC[C@H]1CCCN1 34a_100000745186_100009816398 [0,1,0,1,0,0|2,0,0]=4 29534 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100000740388_100009816398 [0,1,0,1,0,0|2,0,0]=4 29535 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100009816398_100000740388 [0,1,0,1,0,0|2,0,0]=4 29536 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100000203698_100009816398 [0,1,0,1,0,0|1,0,0]=3 29537 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100009816398_100000203698 [0,1,0,1,0,0|1,0,0]=3 29538 B12R1.477 CC[C@H](C)CSCC1OCCO1 62a_100000755774_100009816398 [0,1,0,1,0,0|2,0,0]=4 29539 B12R1.477 CC[C@H](C)CSCC1OCCO1 62a_100009816398_100000755774 [0,1,0,1,0,0|2,0,0]=4 29540 B12R1.477 CN(CF)CCCC1CCCC1 269982a_100015186261_100015361967 [0,1,0,1,0,0|2,0,0]=4 29541 B12R1.477 CN(CF)CCCC1CCCC1 34a_100015186261_100015361967 [0,1,0,1,0,0|2,0,0]=4 29542 B12R1.477 CN(CF)CCCC1CCCO1 269982a_100011698863_100015361967 [0,1,0,1,0,0|2,0,0]=4 29543 B12R1.477 CN(CF)CCCC1CCCO1 34a_100011698863_100015361967 [0,1,0,1,0,0|2,0,0]=4 29544 B12R1.477 CO[C@H](C)CNCC1CCCO1 2230a_100020591295_100000203698 [0,1,0,1,0,0|2,0,0]=4 29545 B12R1.477 C[C@@H](CO)CNCC1CCCC1 2230a_100000737975_100000059175 [0,1,0,1,0,0|1,0,0]=3 29546 B12R1.477 C[C@@H](CO)CNCC1CCCC1 34a_100000737975_100000059175 [0,1,0,1,0,0|1,0,0]=3 29547 B12R1.477 C[C@@H](CO)CNCC1CCOC1 2230a_100000737293_100000059175 [0,1,0,1,0,0|2,0,0]=4 29548 B12R1.477 C[C@@H](CO)CNCC1CCOC1 34a_100000737293_100000059175 [0,1,0,1,0,0|2,0,0]=4 29549 B12R1.477 C[C@@H](CO)CNC[C@@H]1CCCO1 2230a_100020590478_100000059175 [0,1,0,1,0,0|2,0,0]=4 29550 B12R1.477 C[C@@H](CO)CNC[C@@H]1CCCO1 34a_100020590478_100000059175 [0,1,0,1,0,0|2,0,0]=4 29551 B12R1.477 C[C@@H](CO)COCC1CCCC1 34a_100000742336_100000059175 [0,1,0,1,0,0|1,0,0]=3 29552 B12R1.477 C[C@@H](CO)COCC1CCCC1 7a_100000742336_100000059175 [0,1,0,1,0,0|1,0,0]=3 29553 B12R1.477 C[C@@H](CO)COCC1CCCO1 34a_100000210270_100000059175 [0,1,0,1,0,0|2,0,0]=4 29554 B12R1.477 C[C@@H](CO)COCC1CCCO1 7a_100000210270_100000059175 [0,1,0,1,0,0|2,0,0]=4 29555 B12R1.477 C[C@@H](CO)COCC1CCNC1 34a_100000748654_100000059175 [0,1,0,1,0,0|2,0,0]=4 29556 B12R1.477 C[C@@H](CO)COCC1CCOC1 34a_100000740260_100000059175 [0,1,0,1,0,0|2,0,0]=4 29557 B12R1.477 C[C@@H](CO)COC[C@H]1CCCN1 34a_100000745186_100000059175 [0,1,0,1,0,0|2,0,0]=4 29558 B12R1.477 C[C@@H](CO)CSCC1CCCC1 62a_100000059175_100000740388 [0,1,0,1,0,0|1,0,0]=3 29559 B12R1.477 C[C@@H](CO)CSCC1CCCC1 62a_100000740388_100000059175 [0,1,0,1,0,0|1,0,0]=3 29560 B12R1.477 C[C@@H](CO)CSCC1CCCO1 62a_100000059175_100000203698 [0,1,0,1,0,0|2,0,0]=4 29561 B12R1.477 C[C@@H](CO)CSCC1CCCO1 62a_100000203698_100000059175 [0,1,0,1,0,0|2,0,0]=4 29562 B12R1.477 C[C@@H](CO)CSCC1CCOC1 62a_100000059175_100000702531 [0,1,0,1,0,0|2,0,0]=4 29563 B12R1.477 C[C@@H](CO)CSCC1CCOC1 62a_100000702531_100000059175 [0,1,0,1,0,0|2,0,0]=4 29564 B12R1.477 C[C@H](CO)NCCC1CCCC1 2230a_100000737577_100000760354 [0,1,0,1,0,0|1,0,0]=3 29565 B12R1.477 C[C@H](CO)SCCC1CCCC1 62a_100000760354_100016084084 [0,1,0,1,0,0|1,0,0]=3 29566 B12R1.477 C[C@H](CO)SCCC1CCCC1 62a_100016084084_100000760354 [0,1,0,1,0,0|1,0,0]=3 29567 B12R1.477 C[C@H](CO)SCCN1CCCC1 62a_100000700749_100016084084 [0,1,0,1,0,0|2,0,0]=4 29568 B12R1.477 C[C@H](CO)SCCN1CCCC1 62a_100016084084_100000004467 [0,1,0,1,0,0|2,0,0]=4 29569 B12R1.477 ClCC(Cl)COCC1CCCC1 34a_100000033668_100000740388 [0,1,0,1,0,0|2,0,0]=4 29570 B12R1.477 NC[C@@H](F)COCC1CCCC1 34a_100015665980_100000740388 [0,1,0,1,0,0|2,0,0]=4 29571 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|0,0,1]=3 29572 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|1,0,1]=4 29573 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|1,0,1]=4 29574 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|1,0,1]=4 29575 B12R1.477 OCC(O)CNCC1CCCC1 2230a_100000737975_100011219619 [0,1,0,1,0,0|1,0,0]=3 29576 B12R1.477 OCC(O)CNCC1CCCC1 34a_100000737975_100011219619 [0,1,0,1,0,0|1,0,0]=3 29577 B12R1.477 OCC(O)CNCC1CCOC1 2230a_100000737293_100011219619 [0,1,0,1,0,0|2,0,0]=4 29578 B12R1.477 OCC(O)CNCC1CCOC1 34a_100000737293_100011219619 [0,1,0,1,0,0|2,0,0]=4 29579 B12R1.477 OCC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011219619 [0,1,0,1,0,0|2,0,0]=4 29580 B12R1.477 OCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011219619 [0,1,0,1,0,0|2,0,0]=4 29581 B12R1.477 OCC(O)COCC1CCCC1 34a_100000742336_100011219619 [0,1,0,1,0,0|1,0,0]=3 29582 B12R1.477 OCC(O)COCC1CCCC1 7a_100000742336_100011219619 [0,1,0,1,0,0|1,0,0]=3 29583 B12R1.477 OCC(O)COCC1CCCO1 34a_100000210270_100011219619 [0,1,0,1,0,0|2,0,0]=4 29584 B12R1.477 OCC(O)COCC1CCCO1 7a_100000210270_100011219619 [0,1,0,1,0,0|2,0,0]=4 29585 B12R1.477 OCC(O)COCC1CCNC1 34a_100000748654_100011219619 [0,1,0,1,0,0|2,0,0]=4 29586 B12R1.477 OCC(O)COCC1CCOC1 34a_100000740260_100011219619 [0,1,0,1,0,0|2,0,0]=4 29587 B12R1.477 OCC(O)COC[C@H]1CCCN1 34a_100000745186_100011219619 [0,1,0,1,0,0|2,0,0]=4 29588 B12R1.477 OCC(O)CSCC1CCCC1 62a_100000740388_100011219619 [0,1,0,1,0,0|1,0,0]=3 29589 B12R1.477 OCC(O)CSCC1CCCC1 62a_100011219619_100000740388 [0,1,0,1,0,0|1,0,0]=3 29590 B12R1.477 OCC(O)CSCC1CCCO1 62a_100000203698_100011219619 [0,1,0,1,0,0|2,0,0]=4 29591 B12R1.477 OCC(O)CSCC1CCCO1 62a_100011219619_100000203698 [0,1,0,1,0,0|2,0,0]=4 29592 B12R1.477 OCC(O)CSCC1CCOC1 62a_100000702531_100011219619 [0,1,0,1,0,0|2,0,0]=4 29593 B12R1.477 OCC(O)CSCC1CCOC1 62a_100011219619_100000702531 [0,1,0,1,0,0|2,0,0]=4 29594 B12R1.477 OC[C@@H](O)CNCC1CCCC1 2230a_100020644852_100000740388 [0,1,0,1,0,0|1,0,0]=3 29595 B12R1.477 OC[C@@H](O)CNCC1CCCC1 269862a_100020644852_100000746403 [0,1,0,1,0,0|1,0,0]=3 29596 B12R1.477 OC[C@@H](O)CNCC1CCCO1 2230a_100020644852_100000203698 [0,1,0,1,0,0|2,0,0]=4 29597 B12R1.477 OC[C@@H](O)CNCC1CCOC1 2230a_100020644852_100000702531 [0,1,0,1,0,0|2,0,0]=4 29598 B12R1.477 OC[C@H](F)CNCC1CCCC1 269862a_100015665980_100000746403 [0,1,0,1,0,0|1,0,0]=3 29599 B12R1.477 OC[C@H](F)CNCC1CCCC1 34a_100015665980_100000740388 [0,1,0,1,0,0|1,0,0]=3 29600 B12R1.477 OC[C@H](F)CNCC1CCOC1 34a_100015665980_100011261433 [0,1,0,1,0,0|2,0,0]=4 29601 B12R1.477 OC[C@H](O)CNCC1CCCC1 2230a_100000737975_100009815848 [0,1,0,1,0,0|1,0,0]=3 29602 B12R1.477 OC[C@H](O)CNCC1CCCC1 34a_100000737975_100009815848 [0,1,0,1,0,0|1,0,0]=3 29603 B12R1.477 OC[C@H](O)CNCC1CCOC1 2230a_100000737293_100009815848 [0,1,0,1,0,0|2,0,0]=4 29604 B12R1.477 OC[C@H](O)CNCC1CCOC1 34a_100000737293_100009815848 [0,1,0,1,0,0|2,0,0]=4 29605 B12R1.477 OC[C@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009815848 [0,1,0,1,0,0|2,0,0]=4 29606 B12R1.477 OC[C@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009815848 [0,1,0,1,0,0|2,0,0]=4 29607 B12R1.477 OC[C@H](O)COCC1CCCC1 34a_100000742336_100009815848 [0,1,0,1,0,0|1,0,0]=3 29608 B12R1.477 OC[C@H](O)COCC1CCCC1 7a_100000742336_100009815848 [0,1,0,1,0,0|1,0,0]=3 29609 B12R1.477 OC[C@H](O)COCC1CCCO1 34a_100000210270_100009815848 [0,1,0,1,0,0|2,0,0]=4 29610 B12R1.477 OC[C@H](O)COCC1CCCO1 7a_100000210270_100009815848 [0,1,0,1,0,0|2,0,0]=4 29611 B12R1.477 OC[C@H](O)COCC1CCNC1 34a_100000748654_100009815848 [0,1,0,1,0,0|2,0,0]=4 29612 B12R1.477 OC[C@H](O)COCC1CCOC1 34a_100000740260_100009815848 [0,1,0,1,0,0|2,0,0]=4 29613 B12R1.477 OC[C@H](O)COC[C@H]1CCCN1 34a_100000745186_100009815848 [0,1,0,1,0,0|2,0,0]=4 29614 B12R1.477 OC[C@H](O)CSCC1CCCC1 62a_100000740388_100009815848 [0,1,0,1,0,0|1,0,0]=3 29615 B12R1.477 OC[C@H](O)CSCC1CCCC1 62a_100009815848_100000740388 [0,1,0,1,0,0|1,0,0]=3 29616 B12R1.477 OC[C@H](O)CSCC1CCCO1 62a_100000203698_100009815848 [0,1,0,1,0,0|2,0,0]=4 29617 B12R1.477 OC[C@H](O)CSCC1CCCO1 62a_100009815848_100000203698 [0,1,0,1,0,0|2,0,0]=4 29618 B12R1.477 OC[C@H](O)CSCC1CCOC1 62a_100000702531_100009815848 [0,1,0,1,0,0|2,0,0]=4 29619 B12R1.477 OC[C@H](O)CSCC1CCOC1 62a_100009815848_100000702531 [0,1,0,1,0,0|2,0,0]=4 29620 B12R1.477 O[C@@H](CF)CNCC1CCCC1 2230a_100000737975_100015614560 [0,1,0,1,0,0|2,0,0]=4 29621 B12R1.477 O[C@@H](CF)CNCC1CCCC1 34a_100000737975_100015614560 [0,1,0,1,0,0|2,0,0]=4 29622 B12R1.477 O[C@@H](CF)CNC[C@@H]1CCCO1 2230a_100020590478_100015614560 [0,1,0,1,0,0|2,0,0]=4 29623 B12R1.477 O[C@@H](CF)CNC[C@@H]1CCCO1 34a_100020590478_100015614560 [0,1,0,1,0,0|2,0,0]=4 29624 B12R1.477 O[C@@H](CF)COCC1CCCC1 34a_100000742336_100015614560 [0,1,0,1,0,0|2,0,0]=4 29625 B12R1.477 O[C@@H](CF)COCC1CCCC1 7a_100000742336_100015614560 [0,1,0,1,0,0|2,0,0]=4 29626 B12R1.477 O[C@@H](CF)COCC1CCCO1 34a_100000210270_100015614560 [0,1,0,1,0,0|2,0,0]=4 29627 B12R1.477 O[C@@H](CF)COCC1CCCO1 7a_100000210270_100015614560 [0,1,0,1,0,0|2,0,0]=4 29628 B12R1.477 O[C@@H](CF)CSCC1CCCC1 62a_100000740388_100015614560 [0,1,0,1,0,0|2,0,0]=4 29629 B12R1.477 O[C@@H](CF)CSCC1CCCC1 62a_100015614560_100000740388 [0,1,0,1,0,0|2,0,0]=4 29630 B12R1.477 O[C@@H](CF)CSCC1CCCO1 62a_100000203698_100015614560 [0,1,0,1,0,0|2,0,0]=4 29631 B12R1.477 O[C@@H](CF)CSCC1CCCO1 62a_100015614560_100000203698 [0,1,0,1,0,0|2,0,0]=4 29632 B12R1.821 CC1(CC1)CNCCCCCF 2230a_100000766693_100000729378 [0,1,0,1,0,0|2,0,0]=4 29633 B12R1.821 CC1(CC1)CNCCCCCO 2230a_100000766693_100000746330 [0,1,0,1,0,0|1,0,0]=3 29634 B12R1.821 CC1(CC1)CNCCOCCO 2230a_100000766693_100011215305 [0,1,0,1,0,0|2,0,0]=4 29635 B12R1.821 CC1(CC1)COCCCCCF 7a_100000698024_100000729378 [0,1,0,1,0,0|2,0,0]=4 29636 B12R1.821 CC1(CC1)COCCCCCO 7a_100000698024_100000746330 [0,1,0,1,0,0|1,0,0]=3 29637 B12R1.821 CC1(CC1)COCCOCCO 7a_100000698024_100011215305 [0,1,0,1,0,0|2,0,0]=4 29638 B12R1.821 CC1(CC1)NCCCCCCF 2230a_100000757604_100015922095 [0,1,0,1,0,0|2,0,0]=4 29639 B12R1.821 CC1(CC1)NCCCCCCO 2230a_100000757604_100000766143 [0,1,0,1,0,0|1,0,0]=3 29640 B12R1.821 CC1(CC1)OCCCCCCF 7a_100011725673_100015922095 [0,1,0,1,0,0|2,0,0]=4 29641 B12R1.821 CC1(CC1)OCCCCCCO 7a_100011725673_100000766143 [0,1,0,1,0,0|1,0,0]=3 29642 B12R1.821 CC1(CO1)CNCCCCCO 34a_100000762737_100000760498 [0,1,0,1,0,0|2,0,0]=4 29643 B12R1.821 CC1(CO1)COCCCCCBr 34a_100000746331_100000760498 [0,1,0,1,0,0|2,0,0]=4 29644 B12R1.821 CC1(CO1)COCCCCCCl 34a_100000746330_100000760498 [0,1,0,1,0,0|2,0,0]=4 29645 B12R1.821 CC1(CO1)COCCCCCI 34a_200012148887_100000760498 [0,1,0,1,0,0|2,0,0]=4 29646 B12R1.821 CC1(CO1)COCCCCCN 34a_100000762737_100000760498 [0,1,0,1,0,0|2,0,0]=4 29647 B12R1.821 CC1(CO1)CSCCCCCF 62a_100000729378_100000760498 [0,1,0,1,0,0|2,0,0]=4 29648 B12R1.821 CC1(CO1)CSCCCCCF 62a_100000760498_100000729378 [0,1,0,1,0,0|2,0,0]=4 29649 B12R1.821 CC1(CO1)CSCCCCCO 62a_100000746330_100000760498 [0,1,0,1,0,0|2,0,0]=4 29650 B12R1.821 CC1(CO1)CSCCCCCO 62a_100000760498_100000746330 [0,1,0,1,0,0|2,0,0]=4 29651 B12R1.821 CCCCCCCNC1(CC1)C 2230a_100000757604_100000210681 [0,1,0,1,0,0|2,0,0]=4 29652 B12R1.821 CCCCCCCOC1(CC1)C 7a_100011725673_100000210614 [0,1,0,1,0,0|2,0,0]=4 29653 B12R1.821 CCCCCCNCC1(CC1)C 2230a_100000766693_100000210314 [0,1,0,1,0,0|2,0,0]=4 29654 B12R1.821 CCCCCCNCC1(CC1)O 2230a_100011936951_100000210314 [0,1,0,1,0,0|2,0,0]=4 29655 B12R1.821 CCCCCCOCC1(CC1)C 7a_100000698024_100000210314 [0,1,0,1,0,0|2,0,0]=4 29656 B12R1.821 CCCCCCOCC1(CC1)F 34a_200000703853_100000210314 [0,1,0,1,0,0|2,0,0]=4 29657 B12R1.821 CCCCCCOCC1(CC1)F 7a_200000703853_100000210314 [0,1,0,1,0,0|2,0,0]=4 29658 B12R1.821 CCCCCCOCC1(CO1)C 34a_100000210259_100000760498 [0,1,0,1,0,0|1,0,0]=3 29659 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000210314_100000760498 [0,1,0,1,0,0|1,0,0]=3 29660 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000760498_100000210757 [0,1,0,1,0,0|1,0,0]=3 29661 B12R1.821 CCCCOCSCC1(CO1)C 62a_100000760498_100011995733 [0,1,0,1,0,0|2,0,0]=4 29662 B12R1.821 CCCCOCSCC1(CO1)C 62a_100011995733_100000760498 [0,1,0,1,0,0|2,0,0]=4 29663 B12R1.821 CCCOCCNCC1(CO1)C 34a_100161115042_100000760498 [0,1,0,1,0,0|2,0,0]=4 29664 B12R1.821 CCCOCCOCC1(CO1)C 34a_100000752267_100000760498 [0,1,0,1,0,0|2,0,0]=4 29665 B12R1.821 CCCOCCSCC1(CO1)C 62a_100000760498_100011215938 [0,1,0,1,0,0|2,0,0]=4 29666 B12R1.821 CCCOCCSCC1(CO1)C 62a_100011215938_100000760498 [0,1,0,1,0,0|2,0,0]=4 29667 B12R1.821 CCCSCCOCC1(CO1)C 34a_200000230433_100000760498 [0,1,0,1,0,0|2,0,0]=4 29668 B12R1.821 CCOCCCNCC1(CO1)C 34a_100000210961_100000760498 [0,1,0,1,0,0|2,0,0]=4 29669 B12R1.821 CCOCCCOCC1(CO1)C 34a_100000757476_100000760498 [0,1,0,1,0,0|2,0,0]=4 29670 B12R1.821 CCOCCCSCC1(CO1)C 62a_100000760498_100012232248 [0,1,0,1,0,0|2,0,0]=4 29671 B12R1.821 CCOCCCSCC1(CO1)C 62a_100012232248_100000760498 [0,1,0,1,0,0|2,0,0]=4 29672 B12R1.821 CCSCCCOCC1(CO1)C 34a_100011216438_100000760498 [0,1,0,1,0,0|2,0,0]=4 29673 B12R1.821 COCCCCOCC1(CO1)C 34a_100000740925_100000760498 [0,1,0,1,0,0|2,0,0]=4 29674 B12R1.821 COCCCCSCC1(CO1)C 62a_100000730899_100000760498 [0,1,0,1,0,0|2,0,0]=4 29675 B12R1.821 COCCCCSCC1(CO1)C 62a_100000760498_100000730899 [0,1,0,1,0,0|2,0,0]=4 29676 B12R1.821 CSCCCCOCC1(CO1)C 34a_100011217163_100000760498 [0,1,0,1,0,0|2,0,0]=4 29677 B12R1.821 FCCCCCOCC1(CC1)F 34a_200000703853_100000729378 [0,1,0,1,0,0|2,0,0]=4 29678 B12R1.821 FCCCCCOCC1(CC1)F 7a_200000703853_100000729378 [0,1,0,1,0,0|2,0,0]=4 29679 B12R1.821 OC1(CC1)CNCCCCCF 2230a_100011936951_100000729378 [0,1,0,1,0,0|2,0,0]=4 29680 B12R1.821 OCCCCCNCC1(CC1)O 2230a_100011936951_100000746330 [0,1,0,1,0,0|1,0,0]=3 29681 B12R1.821 OCCCCCOCC1(CC1)F 34a_200000703853_100000746330 [0,1,0,1,0,0|1,0,0]=3 29682 B12R1.821 OCCCCCOCC1(CC1)F 7a_200000703853_100000746330 [0,1,0,1,0,0|1,0,0]=3 29683 B12R1.821 OCCOCCNCC1(CC1)O 2230a_100011936951_100011215305 [0,1,0,1,0,0|2,0,0]=4 29684 B12R1.821 OCCOCCOCC1(CC1)F 34a_200000703853_100000692535 [0,1,0,1,0,0|2,0,0]=4 29685 B12R1.821 OCCOCCOCC1(CC1)F 7a_200000703853_100011215305 [0,1,0,1,0,0|2,0,0]=4 29686 B12R1.1659 CC(CO)N1CCCCCCC1 2230a_100000211400_100012180447 [0,1,0,1,0,0|1,0,0]=3 29687 B12R1.1659 CC(CO)N1CCCCCCC1 34a_100000211400_100012180447 [0,1,0,1,0,0|1,0,0]=3 29688 B12R1.1659 CCC(C)N1CCCCCCC1 2230a_100000211400_100000758301 [0,1,0,1,0,0|2,0,0]=4 29689 B12R1.1659 CCC(C)N1CCCCCCC1 269982a_100000211400_100000758301 [0,1,0,1,0,0|2,0,0]=4 29690 B12R1.1659 CCC(C)N1CCCCCCC1 34a_100000211400_100011215416 [0,1,0,1,0,0|2,0,0]=4 29691 B12R1.1659 C[C@H](CO)N1CCCCCCC1 269982a_100000211400_100016084084 [0,1,0,1,0,0|1,0,0]=3 29692 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|1,0,1]=4 29693 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|1,0,1]=4 29694 B12R1.1748 CC(CF)OC1CCCCCC1 34a_100016041109_100011217769 [0,1,0,1,0,0|2,0,0]=4 29695 B12R1.1748 CC(CN)OC1CCCCCC1 34a_100000210904_100011217769 [0,1,0,1,0,0|2,0,0]=4 29696 B12R1.1748 CC(CO)NC1CCCCCC1 2230a_100000210984_100012180447 [0,1,0,1,0,0|1,0,0]=3 29697 B12R1.1748 CC(CO)NC1CCCCCC1 34a_100000210984_100012180447 [0,1,0,1,0,0|1,0,0]=3 29698 B12R1.1748 CC(CO)OC1CCCCCC1 34a_100000210887_100012180447 [0,1,0,1,0,0|1,0,0]=3 29699 B12R1.1748 CC(CO)OC1CCCCCC1 7a_100000210887_100012180447 [0,1,0,1,0,0|1,0,0]=3 29700 B12R1.1748 CC(CO)SC1CCCCCC1 62a_100012180447_100011217769 [0,1,0,1,0,0|1,0,0]=3 29701 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|1,0,1]=4 29702 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|1,0,1]=4 29703 B12R1.1748 CCC(C)CN1CCCCCC1 2230a_100000185865_100000748023 [0,1,0,1,0,0|2,0,0]=4 29704 B12R1.1748 CCC(C)CN1CCCCCC1 269982a_100000185865_100000748023 [0,1,0,1,0,0|2,0,0]=4 29705 B12R1.1748 CCC(C)CN1CCCCCC1 270004a_100000185865_100000243153 [0,1,0,1,0,0|2,0,0]=4 29706 B12R1.1748 CCC(C)CN1CCCCCC1 34a_100000185865_100000748023 [0,1,0,1,0,0|2,0,0]=4 29707 B12R1.1748 CCC(C)NC1CCCCCC1 2230a_100000210984_100000758301 [0,1,0,1,0,0|2,0,0]=4 29708 B12R1.1748 CCC(C)NC1CCCCCC1 270004a_100000209981_100000210131 [0,1,0,1,0,0|2,0,0]=4 29709 B12R1.1748 CCC(C)NC1CCCCCC1 34a_100000210984_100011215416 [0,1,0,1,0,0|2,0,0]=4 29710 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,1,0,1,0,0|2,0,0]=4 29711 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,1,0,1,0,0|2,0,0]=4 29712 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100000758301_100011217769 [0,1,0,1,0,0|2,0,0]=4 29713 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100011217769_100000758301 [0,1,0,1,0,0|2,0,0]=4 29714 B12R1.1748 CCC(O)CN1CCCCCC1 2230a_100000185865_100011218378 [0,1,0,1,0,0|2,0,0]=4 29715 B12R1.1748 CCC(O)CN1CCCCCC1 269982a_100000185865_100011218378 [0,1,0,1,0,0|2,0,0]=4 29716 B12R1.1748 CCC(O)CN1CCCCCC1 34a_100000185865_100011218378 [0,1,0,1,0,0|2,0,0]=4 29717 B12R1.1748 CCN(C)CC1CCCCCC1 2230a_100000225621_200000696569 [0,1,0,1,0,0|2,0,0]=4 29718 B12R1.1748 CCN(C)CC1CCCCCC1 269982a_100000225621_200000696569 [0,1,0,1,0,0|2,0,0]=4 29719 B12R1.1748 CC[C@H](C)CN1CCCCCC1 2230a_100000185865_100009816398 [0,1,0,1,0,0|2,0,0]=4 29720 B12R1.1748 CC[C@H](C)CN1CCCCCC1 269982a_100000185865_100009816398 [0,1,0,1,0,0|2,0,0]=4 29721 B12R1.1748 CC[C@H](C)CN1CCCCCC1 34a_100000185865_100009816398 [0,1,0,1,0,0|2,0,0]=4 29722 B12R1.1748 C[C@@H](CO)CN1CCCCCC1 2230a_100000185865_100000059175 [0,1,0,1,0,0|1,0,0]=3 29723 B12R1.1748 C[C@@H](CO)CN1CCCCCC1 269982a_100000185865_100000059175 [0,1,0,1,0,0|1,0,0]=3 29724 B12R1.1748 C[C@@H](CO)CN1CCCCCC1 34a_100000185865_100000059175 [0,1,0,1,0,0|1,0,0]=3 29725 B12R1.1748 C[C@@H](CO)CN1CCCOCC1 2230a_100000685342_100000059175 [0,1,0,1,0,0|2,0,0]=4 29726 B12R1.1748 C[C@@H](CO)CN1CCCOCC1 269982a_100000685342_100000059175 [0,1,0,1,0,0|2,0,0]=4 29727 B12R1.1748 C[C@@H](CO)CN1CCCOCC1 34a_100000685342_100000059175 [0,1,0,1,0,0|2,0,0]=4 29728 B12R1.1748 C[C@H](CF)NC1CCCCCC1 270004a_100102880703_100000210131 [0,1,0,1,0,0|2,0,0]=4 29729 B12R1.1748 C[C@H](CO)NC1CCCCCC1 270004a_100000737577_100000210131 [0,1,0,1,0,0|1,0,0]=3 29730 B12R1.1748 C[C@H](CO)NC1CCCNCC1 270004a_100000737577_100015187895 [0,1,0,1,0,0|2,0,0]=4 29731 B12R1.1748 C[C@H](CO)SC1CCCCCC1 62a_100011217769_100016084084 [0,1,0,1,0,0|1,0,0]=3 29732 B12R1.1748 C[C@H](CO)SC1CCCCCC1 62a_100016084084_100011217769 [0,1,0,1,0,0|1,0,0]=3 29733 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|1,0,1]=4 29734 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|0,0,1]=3 29735 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|1,0,1]=4 29736 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|1,0,1]=4 29737 B12R1.1748 OCC(O)CN1CCCCCC1 2230a_100000185865_100011219619 [0,1,0,1,0,0|1,0,0]=3 29738 B12R1.1748 OCC(O)CN1CCCCCC1 34a_100000185865_100011219619 [0,1,0,1,0,0|1,0,0]=3 29739 B12R1.1748 OCC(O)CN1CCCOCC1 2230a_100000685342_100011219619 [0,1,0,1,0,0|2,0,0]=4 29740 B12R1.1748 OCC(O)CN1CCCOCC1 34a_100000685342_100011219619 [0,1,0,1,0,0|2,0,0]=4 29741 B12R1.1748 OC[C@H](O)CN1CCCCCC1 2230a_100000185865_100009815848 [0,1,0,1,0,0|1,0,0]=3 29742 B12R1.1748 OC[C@H](O)CN1CCCCCC1 34a_100000185865_100009815848 [0,1,0,1,0,0|1,0,0]=3 29743 B12R1.1748 OC[C@H](O)CN1CCCOCC1 2230a_100000685342_100009815848 [0,1,0,1,0,0|2,0,0]=4 29744 B12R1.1748 OC[C@H](O)CN1CCCOCC1 34a_100000685342_100009815848 [0,1,0,1,0,0|2,0,0]=4 29745 B12R1.1748 O[C@@H](CF)CN1CCCCCC1 2230a_100000185865_100015614560 [0,1,0,1,0,0|2,0,0]=4 29746 B12R1.1748 O[C@@H](CF)CN1CCCCCC1 34a_100000185865_100015614560 [0,1,0,1,0,0|2,0,0]=4 29747 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210314 [0,1,0,1,0,0|2,0,0]=4 29748 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210757 [0,1,0,1,0,0|2,0,0]=4 29749 B12R1.1759 C[C@H]1[C@H](CN1CCCCCF)O 2230a_206633788156_100000729378 [0,1,0,1,0,0|2,0,0]=4 29750 B12R1.1759 C[C@H]1[C@H](CN1CCCCCF)O 269982a_206633788156_100000729378 [0,1,0,1,0,0|2,0,0]=4 29751 B12R1.1759 C[C@H]1[C@H](CN1CCCCCO)O 2230a_206633788156_100000746330 [0,1,0,1,0,0|1,0,0]=3 29752 B12R1.1759 C[C@H]1[C@H](CN1CCCCCO)O 269982a_206633788156_100000746330 [0,1,0,1,0,0|1,0,0]=3 29753 B12R1.1759 C[C@H]1[C@H](CN1CCOCCO)O 2230a_206633788156_100011215305 [0,1,0,1,0,0|2,0,0]=4 29754 B12R1.1759 C[C@H]1[C@H](CN1CCOCCO)O 269982a_206633788156_100011215305 [0,1,0,1,0,0|2,0,0]=4 29755 B12R1.1761 CCC1CN(C1)CCCCCF 2230a_100015205115_100000729378 [0,1,0,1,0,0|2,0,0]=4 29756 B12R1.1761 CCC1CN(C1)CCCCCF 269982a_100015205115_100000729378 [0,1,0,1,0,0|2,0,0]=4 29757 B12R1.1761 CCC1CN(C1)CCCCCO 2230a_100015205115_100000746330 [0,1,0,1,0,0|1,0,0]=3 29758 B12R1.1761 CCC1CN(C1)CCCCCO 269982a_100015205115_100000746330 [0,1,0,1,0,0|1,0,0]=3 29759 B12R1.1761 CCC1CN(C1)CCOCCO 2230a_100015205115_100011215305 [0,1,0,1,0,0|2,0,0]=4 29760 B12R1.1761 CCC1CN(C1)CCOCCO 269982a_100015205115_100011215305 [0,1,0,1,0,0|2,0,0]=4 29761 B12R1.1761 CCCCCCN1CC(C1)CC 2230a_100015205115_100000210314 [0,1,0,1,0,0|2,0,0]=4 29762 B12R1.1761 CCCCCCN1CC(C1)CC 269982a_100015205115_100000210757 [0,1,0,1,0,0|2,0,0]=4 29763 B12R1.1761 CCCCCCN1CC(C1)CF 269982a_100010363649_100000210757 [0,1,0,1,0,0|2,0,0]=4 29764 B12R1.1761 CCCCCCN1CC(C1)CF 34a_100010363649_100000210314 [0,1,0,1,0,0|2,0,0]=4 29765 B12R1.1761 CCCCCCN1CC(C1)CO 269982a_100016987283_100000210757 [0,1,0,1,0,0|1,0,0]=3 29766 B12R1.1761 CCCCCCN1CC(C1)CO 34a_100016987283_100000210314 [0,1,0,1,0,0|1,0,0]=3 29767 B12R1.1761 CCCCCNC1CC(C1)CO 270004a_100000209983_100000101936 [0,1,0,1,0,0|1,0,0]=3 29768 B12R1.1761 CCCCCSC1CC(C1)CO 62a_100000210326_100009874164 [0,1,0,1,0,0|1,0,0]=3 29769 B12R1.1761 CCCCCSC1CC(C1)CO 62a_100009874164_100000210326 [0,1,0,1,0,0|1,0,0]=3 29770 B12R1.1761 CCCCOCN1CC(C1)CO 269982a_100016987283_100011995733 [0,1,0,1,0,0|2,0,0]=4 29771 B12R1.1761 CCCCOCN1CC(C1)CO 34a_100016987283_100011995733 [0,1,0,1,0,0|2,0,0]=4 29772 B12R1.1761 CCCOCCN1CC(C1)CO 269982a_100016987283_100011215938 [0,1,0,1,0,0|2,0,0]=4 29773 B12R1.1761 CCCOCCN1CC(C1)CO 34a_100016987283_100011215938 [0,1,0,1,0,0|2,0,0]=4 29774 B12R1.1761 CCN1CC(C1)NCCCCO 2230a_200015199589_100000210776 [0,1,0,1,0,0|2,0,0]=4 29775 B12R1.1761 CCOCCCN1CC(C1)CO 269982a_100016987283_100012232248 [0,1,0,1,0,0|2,0,0]=4 29776 B12R1.1761 CCOCCCN1CC(C1)CO 34a_100016987283_100012232248 [0,1,0,1,0,0|2,0,0]=4 29777 B12R1.1761 CCOCCNC1CC(C1)CO 270004a_102516460346_100000101936 [0,1,0,1,0,0|2,0,0]=4 29778 B12R1.1761 CCOCCSC1CC(C1)CO 62a_100000210147_100009874164 [0,1,0,1,0,0|2,0,0]=4 29779 B12R1.1761 CCOCCSC1CC(C1)CO 62a_100009874164_100011215890 [0,1,0,1,0,0|2,0,0]=4 29780 B12R1.1761 CCSCCNC1CC(C1)CO 270004a_100000106463_100000101936 [0,1,0,1,0,0|2,0,0]=4 29781 B12R1.1761 CCSCCSC1CC(C1)CO 62a_100000757381_100009874164 [0,1,0,1,0,0|2,0,0]=4 29782 B12R1.1761 CCSCCSC1CC(C1)CO 62a_100009874164_100000757381 [0,1,0,1,0,0|2,0,0]=4 29783 B12R1.1761 COC1CN(C1)CCCCCO 269982a_100000755009_100000746330 [0,1,0,1,0,0|2,0,0]=4 29784 B12R1.1761 COCCCCN1CC(C1)CO 269982a_100016987283_100000730899 [0,1,0,1,0,0|2,0,0]=4 29785 B12R1.1761 COCCCCN1CC(C1)CO 34a_100016987283_100000755781 [0,1,0,1,0,0|2,0,0]=4 29786 B12R1.1761 COCCCNC1CC(C1)CO 270004a_100150723488_100000101936 [0,1,0,1,0,0|2,0,0]=4 29787 B12R1.1761 COCCCSC1CC(C1)CO 62a_100000709357_100009874164 [0,1,0,1,0,0|2,0,0]=4 29788 B12R1.1761 COCCCSC1CC(C1)CO 62a_100009874164_100000709357 [0,1,0,1,0,0|2,0,0]=4 29789 B12R1.1761 CO[C@H]1C[C@@H](C1)NCCCCO 2230a_100121570643_100000210776 [0,1,0,1,0,0|2,0,0]=4 29790 B12R1.1761 CSC1CN(C1)CCCCCO 269982a_100016990038_100000746330 [0,1,0,1,0,0|2,0,0]=4 29791 B12R1.1761 CSCCCNC1CC(C1)CO 270004a_100000749238_100000101936 [0,1,0,1,0,0|2,0,0]=4 29792 B12R1.1761 OCC1CC(C1)SCCCCF 62a_100000729493_100009874164 [0,1,0,1,0,0|2,0,0]=4 29793 B12R1.1761 OCC1CC(C1)SCCCCF 62a_100009874164_100000729493 [0,1,0,1,0,0|2,0,0]=4 29794 B12R1.1761 OCC1CN(C1)CCCCCF 269982a_100016987283_100000729378 [0,1,0,1,0,0|2,0,0]=4 29795 B12R1.1761 OCC1CN(C1)CCCCCF 34a_100016987283_100000729378 [0,1,0,1,0,0|2,0,0]=4 29796 B12R1.1761 OCCCCCN1CC(C1)CF 269982a_100010363649_100000746330 [0,1,0,1,0,0|2,0,0]=4 29797 B12R1.1761 OCCCCCN1CC(C1)CF 34a_100010363649_100000746330 [0,1,0,1,0,0|2,0,0]=4 29798 B12R1.1761 OCCCCCN1CC(C1)CO 269982a_100016987283_100000746330 [0,1,0,1,0,0|2,0,0]=4 29799 B12R1.1761 OCCCCCN1CC(C1)CO 34a_100016987283_100000746330 [0,1,0,1,0,0|2,0,0]=4 29800 B12R1.1761 OCCCCNC1CC(C1)CO 270004a_100000750430_100000101936 [0,1,0,1,0,0|2,0,0]=4 29801 B12R1.1761 OCCCCSC1CC(C1)CO 62a_100000210776_100009874164 [0,1,0,1,0,0|2,0,0]=4 29802 B12R1.1761 OCCCCSC1CC(C1)CO 62a_100009874164_100000210776 [0,1,0,1,0,0|2,0,0]=4 29803 B12R1.30 CC(NCCF)C1CCCCC1 269862a_100000724931_100000210989 [0,1,0,1,0,0|2,0,0]=4 29804 B12R1.30 CC(NCCO)C1CCCCC1 269862a_100000210304_100000210989 [0,1,0,1,0,0|1,0,0]=3 29805 B12R1.30 CC(NCCO)C1CCCCN1 269862a_100000210304_200011997754 [0,1,0,1,0,0|2,0,0]=4 29806 B12R1.30 CC(NCCO)C1CCCNC1 269862a_100000210304_100011320585 [0,1,0,1,0,0|2,0,0]=4 29807 B12R1.30 CC(NCCO)C1CCNCC1 269862a_100000210304_100015204191 [0,1,0,1,0,0|2,0,0]=4 29808 B12R1.30 CC(NCCO)C1CCOCC1 269862a_100000210304_100000759496 [0,1,0,1,0,0|2,0,0]=4 29809 B12R1.30 CC(OCCF)C1CCCCC1 34a_100011216961_100011217306 [0,1,0,1,0,0|2,0,0]=4 29810 B12R1.30 CC(OCCF)C1CCCCC1 7a_100011216961_100011217306 [0,1,0,1,0,0|2,0,0]=4 29811 B12R1.30 CC(OCCO)C1CCCCC1 34a_100011216961_100000211926 [0,1,0,1,0,0|1,0,0]=3 29812 B12R1.30 CC(OCCO)C1CCCCC1 7a_100011216961_100000211926 [0,1,0,1,0,0|1,0,0]=3 29813 B12R1.30 CC(OCCO)C1CCCNC1 34a_100000740858_100000211926 [0,1,0,1,0,0|2,0,0]=4 29814 B12R1.30 CC(OCCO)C1CCNCC1 34a_100011728446_100000211926 [0,1,0,1,0,0|2,0,0]=4 29815 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,1,0,1,0,0|1,0,1]=4 29816 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,1,0,1,0,0|1,0,1]=4 29817 B12R1.30 CCCCC(=O)C1CCCCO1 1458a_100000748299_100000210211 [0,1,0,1,0,0|0,0,1]=3 29818 B12R1.30 CCCCC(=O)C1COCCO1 1458a_100000045528_100000210211 [0,1,0,1,0,0|1,0,1]=4 29819 B12R1.30 CCCCN(C)C1CCCCC1 2230a_100000207522_100000210211 [0,1,0,1,0,0|2,0,0]=4 29820 B12R1.30 CCCCN(C)C1CCCCC1 269982a_100000207522_100000210211 [0,1,0,1,0,0|2,0,0]=4 29821 B12R1.30 CCCCN(C)C1CCCCC1 269982a_100000207549_100000210327 [0,1,0,1,0,0|2,0,0]=4 29822 B12R1.30 CCCCN(C)C1CCCCC1 270004a_100000207549_100000210434 [0,1,0,1,0,0|2,0,0]=4 29823 B12R1.30 CCCCN(C)C1CCCCC1 34a_100000207522_100000210210 [0,1,0,1,0,0|2,0,0]=4 29824 B12R1.30 CCCNC(=O)C1CCCCO1 11a_100020643023_100000748299 [0,1,0,1,0,0|1,0,1]=4 29825 B12R1.30 CCCNC(=O)C1CCCCO1 1626a_100020643023_100000748299 [0,1,0,1,0,0|1,0,1]=4 29826 B12R1.30 CCCNC(=O)C1CCCCO1 240690a_100020643023_100000748299 [0,1,0,1,0,0|1,0,1]=4 29827 B12R1.30 CCCNC(=O)C1CCCCO1 527a_100020643023_100000748299 [0,1,0,1,0,0|1,0,1]=4 29828 B12R1.30 CCCNC(C)C1CCCCC1 269862a_100020643023_100000210989 [0,1,0,1,0,0|2,0,0]=4 29829 B12R1.30 CCCNC(C)C1CCCCN1 269862a_100020643023_200011997754 [0,1,0,1,0,0|2,0,0]=4 29830 B12R1.30 CCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210303 [0,1,0,1,0,0|2,0,0]=4 29831 B12R1.30 CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000210303 [0,1,0,1,0,0|2,0,0]=4 29832 B12R1.30 CCCOC(C)C1CCCCC1 34a_100011216961_100000210303 [0,1,0,1,0,0|2,0,0]=4 29833 B12R1.30 CCCOC(C)C1CCCCC1 7a_100011216961_100000210303 [0,1,0,1,0,0|2,0,0]=4 29834 B12R1.30 CCOC[C@H](N)C1CCCCC1 34a_100009817630_100000210202 [0,1,0,1,0,0|2,0,0]=4 29835 B12R1.30 CN(CCCF)C1CCCCC1 2230a_100000207522_100011934791 [0,1,0,1,0,0|2,0,0]=4 29836 B12R1.30 CN(CCCF)C1CCCCC1 269982a_100000207522_100011934791 [0,1,0,1,0,0|2,0,0]=4 29837 B12R1.30 CN(CCCF)C1CCCCC1 34a_100000207522_100011934791 [0,1,0,1,0,0|2,0,0]=4 29838 B12R1.30 CN(CCCO)C1CCCCC1 2230a_100000207522_100000230001 [0,1,0,1,0,0|1,0,0]=3 29839 B12R1.30 CN(CCCO)C1CCCCC1 269982a_100000207522_100011215043 [0,1,0,1,0,0|1,0,0]=3 29840 B12R1.30 CN(CCCO)C1CCCCC1 269982a_100000213112_100000210327 [0,1,0,1,0,0|1,0,0]=3 29841 B12R1.30 CN(CCCO)C1CCCCC1 270004a_100000213112_100000210434 [0,1,0,1,0,0|1,0,0]=3 29842 B12R1.30 CN(CCCO)C1CCCCC1 34a_100000207522_100000230001 [0,1,0,1,0,0|1,0,0]=3 29843 B12R1.30 CN(CCCO)C1CCCOC1 269982a_100000213112_100000693364 [0,1,0,1,0,0|2,0,0]=4 29844 B12R1.30 CN(CCCO)C1CCCOC1 270004a_100000213112_100000753404 [0,1,0,1,0,0|2,0,0]=4 29845 B12R1.30 CN(CCCO)C1CCCSC1 270004a_100000213112_100000057913 [0,1,0,1,0,0|2,0,0]=4 29846 B12R1.30 CN(CCCO)C1CCNCC1 270004a_100000213112_100015192401 [0,1,0,1,0,0|2,0,0]=4 29847 B12R1.30 CN(CCCO)C1CCOCC1 2230a_100020587155_100000230001 [0,1,0,1,0,0|2,0,0]=4 29848 B12R1.30 CN(CCCO)C1CCOCC1 269982a_100000213112_100011324220 [0,1,0,1,0,0|2,0,0]=4 29849 B12R1.30 CN(CCCO)C1CCOCC1 269982a_100020587155_100011215043 [0,1,0,1,0,0|2,0,0]=4 29850 B12R1.30 CN(CCCO)C1CCOCC1 270004a_100000213112_100011217826 [0,1,0,1,0,0|2,0,0]=4 29851 B12R1.30 CN(CCCO)C1CCOCC1 34a_100020587155_100000230001 [0,1,0,1,0,0|2,0,0]=4 29852 B12R1.30 CN(CCCO)C1CCSCC1 2230a_100015184757_100000230001 [0,1,0,1,0,0|2,0,0]=4 29853 B12R1.30 CN(CCCO)C1CCSCC1 269982a_100000213112_100000069128 [0,1,0,1,0,0|2,0,0]=4 29854 B12R1.30 CN(CCCO)C1CCSCC1 269982a_100015184757_100011215043 [0,1,0,1,0,0|2,0,0]=4 29855 B12R1.30 CN(CCCO)C1CCSCC1 270004a_100000213112_100000203788 [0,1,0,1,0,0|2,0,0]=4 29856 B12R1.30 CN(CCCO)C1CCSCC1 34a_100015184757_100000230001 [0,1,0,1,0,0|2,0,0]=4 29857 B12R1.30 COCCC(=O)C1CCCCO1 1458a_100000748299_100000233755 [0,1,0,1,0,0|1,0,1]=4 29858 B12R1.30 COCCC(N)C1CCCCC1 34a_200020622111_200000210301 [0,1,0,1,0,0|2,0,0]=4 29859 B12R1.30 CSCCC(=O)C1CCCCO1 1458a_100000748299_100000751147 [0,1,0,1,0,0|1,0,1]=4 29860 B12R1.30 C[C@@H](NCCF)C1CCCCC1 2230a_100025707633_100011217306 [0,1,0,1,0,0|2,0,0]=4 29861 B12R1.30 C[C@@H](NCCF)C1CCCCC1 34a_100025707633_100011217306 [0,1,0,1,0,0|2,0,0]=4 29862 B12R1.30 C[C@@H](NCCO)C1CCCCC1 2230a_100025707633_100000211926 [0,1,0,1,0,0|1,0,0]=3 29863 B12R1.30 C[C@@H](NCCO)C1CCCCC1 34a_100025707633_100000211926 [0,1,0,1,0,0|1,0,0]=3 29864 B12R1.30 C[C@@H](OCCO)C1CCOCC1 34a_100000703848_100000211926 [0,1,0,1,0,0|2,0,0]=4 29865 B12R1.30 C[C@@H](OCCO)C1CCOCC1 7a_100000703848_100000211926 [0,1,0,1,0,0|2,0,0]=4 29866 B12R1.30 N[C@@H](COCF)C1CCCCC1 34a_100009817630_100015361967 [0,1,0,1,0,0|2,0,0]=4 29867 B12R1.30 O=C(CCCF)C1CCCCC1 1458a_100000210647_100011934791 [0,1,0,1,0,0|1,0,1]=4 29868 B12R1.30 O=C(CCCF)C1CCCCO1 1458a_100000748299_100011934791 [0,1,0,1,0,0|1,0,1]=4 29869 B12R1.30 O=C(CCCO)C1CCCCC1 1458a_100000210647_100011215043 [0,1,0,1,0,0|0,0,1]=3 29870 B12R1.30 O=C(CCCO)C1CCCCO1 1458a_100000748299_100011215043 [0,1,0,1,0,0|1,0,1]=4 29871 B12R1.30 O=C(CCCO)C1CCCOC1 1458a_100000741522_100011215043 [0,1,0,1,0,0|1,0,1]=4 29872 B12R1.30 O=C(CCCO)C1CCOCC1 1458a_100000195482_100011215043 [0,1,0,1,0,0|1,0,1]=4 29873 B12R1.30 O=C(CCCO)C1CCSCC1 1458a_100000755232_100011215043 [0,1,0,1,0,0|1,0,1]=4 29874 B12R1.30 O=C(NCCO)C1CCCCC1 240690a_100000210304_100000210647 [0,1,0,1,0,0|1,0,1]=4 29875 B12R1.30 O=C(NCCO)C1CCCCC1 527a_100000210304_100000210647 [0,1,0,1,0,0|1,0,1]=4 29876 B12R1.30 [13CH3]OCCC(N)C1CCCCC1 34a_200020622111_200025704644 [0,1,0,1,0,0|2,0,0]=4 29877 B12R1.53 CC(CC1CCCC1)NCCO 270004a_100000210304_100000692464 [0,1,0,1,0,0|1,0,0]=3 29878 B12R1.53 CC(CCCCl)OC1CCCC1 34a_200000718107_100000179811 [0,1,0,1,0,0|2,0,0]=4 29879 B12R1.53 CC(CCCCl)OC1CCCC1 7a_200000718107_100000179811 [0,1,0,1,0,0|2,0,0]=4 29880 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,1,0,1,0,0|1,0,1]=4 29881 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,1,0,1,0,0|1,0,1]=4 29882 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,1,0,1,0,0|0,0,1]=3 29883 B12R1.53 CCCCC(=O)CC1OCCO1 1458a_100000210183_100000755774 [0,1,0,1,0,0|1,0,1]=4 29884 B12R1.53 CCCCC(C)NC1CCCC1 2230a_100000126638_100000179811 [0,1,0,1,0,0|2,0,0]=4 29885 B12R1.53 CCCCC(C)NC1CCCC1 2230a_100000211070_200011215066 [0,1,0,1,0,0|2,0,0]=4 29886 B12R1.53 CCCCC(C)NC1CCCC1 270004a_100000126638_100000210133 [0,1,0,1,0,0|2,0,0]=4 29887 B12R1.53 CCCCC(C)NC1CCCC1 270004a_100000211070_100000210087 [0,1,0,1,0,0|2,0,0]=4 29888 B12R1.53 CCCCC(C)NC1CCCC1 34a_100000211070_200011215066 [0,1,0,1,0,0|2,0,0]=4 29889 B12R1.53 CCCCC(C)OC1CCCC1 34a_100000210269_200011215066 [0,1,0,1,0,0|2,0,0]=4 29890 B12R1.53 CCCCC(C)OC1CCCC1 34a_100000687866_100000179811 [0,1,0,1,0,0|2,0,0]=4 29891 B12R1.53 CCCCC(C)OC1CCCC1 7a_100000210269_200011215066 [0,1,0,1,0,0|2,0,0]=4 29892 B12R1.53 CCCCC(C)OC1CCCC1 7a_100000687866_100000179811 [0,1,0,1,0,0|2,0,0]=4 29893 B12R1.53 CCCCC(C)OC1CCCO1 34a_100000085407_200011215066 [0,1,0,1,0,0|1,0,0]=3 29894 B12R1.53 CCCCC(C)SC1CCCC1 62a_100011217020_200011215066 [0,1,0,1,0,0|2,0,0]=4 29895 B12R1.53 CCCCC(C)SC1CCCC1 62a_200011215066_100000179811 [0,1,0,1,0,0|2,0,0]=4 29896 B12R1.53 CCCCN(C)CC1CCCC1 2230a_100000207549_100000740388 [0,1,0,1,0,0|2,0,0]=4 29897 B12R1.53 CCCCN(C)CC1CCCC1 269982a_100000207549_100000740388 [0,1,0,1,0,0|2,0,0]=4 29898 B12R1.53 CCCCN(C)CC1CCCO1 2230a_100000207549_100000203698 [0,1,0,1,0,0|1,0,0]=3 29899 B12R1.53 CCCCN(C)CC1CCCO1 2230a_100102946541_100000210211 [0,1,0,1,0,0|1,0,0]=3 29900 B12R1.53 CCCCN(C)CC1CCCO1 269982a_100000207549_100000183445 [0,1,0,1,0,0|1,0,0]=3 29901 B12R1.53 CCCCN(C)CC1CCCO1 269982a_100102946541_100000210211 [0,1,0,1,0,0|1,0,0]=3 29902 B12R1.53 CCCCN(C)CC1CCCO1 34a_100102946541_100000210210 [0,1,0,1,0,0|1,0,0]=3 29903 B12R1.53 CCCCN(C)CC1OCCO1 2230a_100000207549_100000755774 [0,1,0,1,0,0|2,0,0]=4 29904 B12R1.53 CCCCN(C)CC1OCCO1 2230a_200000032744_100000210211 [0,1,0,1,0,0|2,0,0]=4 29905 B12R1.53 CCCCN(C)CC1OCCO1 269982a_100000207549_100000755774 [0,1,0,1,0,0|2,0,0]=4 29906 B12R1.53 CCCCN(C)CC1OCCO1 269982a_200000032744_100000210211 [0,1,0,1,0,0|2,0,0]=4 29907 B12R1.53 CCCCN(C)CC1OCCO1 34a_200000032744_100000210210 [0,1,0,1,0,0|2,0,0]=4 29908 B12R1.53 CCCNC(C)CC1CCCC1 270004a_100020643023_100000692464 [0,1,0,1,0,0|2,0,0]=4 29909 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|1,0,1]=4 29910 B12R1.53 CCOCN(C)CC1CCCO1 269982a_100102946541_100000739092 [0,1,0,1,0,0|2,0,0]=4 29911 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [0,1,0,1,0,0|1,0,1]=4 29912 B12R1.53 CN(CCCF)CC1CCCO1 2230a_100102946541_100011934791 [0,1,0,1,0,0|2,0,0]=4 29913 B12R1.53 CN(CCCF)CC1CCCO1 269982a_100102946541_100011934791 [0,1,0,1,0,0|2,0,0]=4 29914 B12R1.53 CN(CCCF)CC1CCCO1 34a_100102946541_100011934791 [0,1,0,1,0,0|2,0,0]=4 29915 B12R1.53 CN(CCCO)CC1CCCC1 2230a_100000213112_100000740388 [0,1,0,1,0,0|1,0,0]=3 29916 B12R1.53 CN(CCCO)CC1CCCC1 269982a_100000213112_100000740388 [0,1,0,1,0,0|1,0,0]=3 29917 B12R1.53 CN(CCCO)CC1CCCO1 2230a_100000213112_100000203698 [0,1,0,1,0,0|2,0,0]=4 29918 B12R1.53 CN(CCCO)CC1CCCO1 2230a_100102946541_100000230001 [0,1,0,1,0,0|2,0,0]=4 29919 B12R1.53 CN(CCCO)CC1CCCO1 269982a_100000213112_100000183445 [0,1,0,1,0,0|2,0,0]=4 29920 B12R1.53 CN(CCCO)CC1CCCO1 269982a_100102946541_100011215043 [0,1,0,1,0,0|2,0,0]=4 29921 B12R1.53 CN(CCCO)CC1CCCO1 34a_100102946541_100000230001 [0,1,0,1,0,0|2,0,0]=4 29922 B12R1.53 CN(CCCO)CC1CCOC1 2230a_100000213112_100000702531 [0,1,0,1,0,0|2,0,0]=4 29923 B12R1.53 CN(CCCO)CC1CCOC1 2230a_100000684583_100000230001 [0,1,0,1,0,0|2,0,0]=4 29924 B12R1.53 CN(CCCO)CC1CCOC1 269982a_100000213112_100000702531 [0,1,0,1,0,0|2,0,0]=4 29925 B12R1.53 CN(CCCO)CC1CCOC1 269982a_100000684583_100011215043 [0,1,0,1,0,0|2,0,0]=4 29926 B12R1.53 CN(CCCO)CC1CCOC1 34a_100000684583_100000230001 [0,1,0,1,0,0|2,0,0]=4 29927 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [0,1,0,1,0,0|1,0,1]=4 29928 B12R1.53 COCCN(C)CC1CCCO1 2230a_100000743101_100000203698 [0,1,0,1,0,0|2,0,0]=4 29929 B12R1.53 COCCN(C)CC1CCCO1 2230a_100102946541_100011201679 [0,1,0,1,0,0|2,0,0]=4 29930 B12R1.53 COCCN(C)CC1CCCO1 2230a_200000223803_200000210301 [0,1,0,1,0,0|2,0,0]=4 29931 B12R1.53 COCCN(C)CC1CCCO1 269982a_100000743101_100000183445 [0,1,0,1,0,0|2,0,0]=4 29932 B12R1.53 COCCN(C)CC1CCCO1 269982a_100102946541_100000233755 [0,1,0,1,0,0|2,0,0]=4 29933 B12R1.53 COCCN(C)CC1CCCO1 269982a_200000223803_200000210301 [0,1,0,1,0,0|2,0,0]=4 29934 B12R1.53 COCCN(C)CC1CCCO1 34a_100102946541_100011201679 [0,1,0,1,0,0|2,0,0]=4 29935 B12R1.53 COCCN(C)CC1CCCO1 34a_200000223803_200000210301 [0,1,0,1,0,0|2,0,0]=4 29936 B12R1.53 COCCN([13CH3])CC1CCCO1 2230a_200000223803_200025704644 [0,1,0,1,0,0|2,0,0]=4 29937 B12R1.53 COCCN([13CH3])CC1CCCO1 269982a_200000223803_200025704644 [0,1,0,1,0,0|2,0,0]=4 29938 B12R1.53 COCCN([13CH3])CC1CCCO1 34a_200000223803_200025704644 [0,1,0,1,0,0|2,0,0]=4 29939 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [0,1,0,1,0,0|1,0,1]=4 29940 B12R1.53 CSCCN(C)CC1CCCO1 2230a_100000686725_100000203698 [0,1,0,1,0,0|2,0,0]=4 29941 B12R1.53 CSCCN(C)CC1CCCO1 2230a_100102946541_100000751147 [0,1,0,1,0,0|2,0,0]=4 29942 B12R1.53 CSCCN(C)CC1CCCO1 269982a_100000686725_100000183445 [0,1,0,1,0,0|2,0,0]=4 29943 B12R1.53 CSCCN(C)CC1CCCO1 269982a_100102946541_100000212216 [0,1,0,1,0,0|2,0,0]=4 29944 B12R1.53 CSCCN(C)CC1CCCO1 34a_100102946541_100000212216 [0,1,0,1,0,0|2,0,0]=4 29945 B12R1.53 O=C(CC1CCCC1)NCCO 240690a_100000210304_100000210891 [0,1,0,1,0,0|1,0,1]=4 29946 B12R1.53 O=C(CC1CCCC1)NCCO 527a_100000210304_100000210891 [0,1,0,1,0,0|1,0,1]=4 29947 B12R1.53 O=C(CCCF)CC1CCCC1 1458a_100000210891_100011934791 [0,1,0,1,0,0|1,0,1]=4 29948 B12R1.53 O=C(CCCO)CC1CCCC1 1458a_100000210891_100011215043 [0,1,0,1,0,0|0,0,1]=3 29949 B12R1.53 O=C(CCCO)CC1CCOC1 1458a_100011218419_100011215043 [0,1,0,1,0,0|1,0,1]=4 29950 B12R1.53 O=C(CCCO)CN1CCCC1 1458a_100000740243_100011215043 [0,1,0,1,0,0|1,0,1]=4 29951 B12R1.112 CCC1CN(CCN1CCO)C 2230a_100011941019_100000211926 [0,1,0,1,0,0|2,0,0]=4 29952 B12R1.112 CCC1CN(CCN1CCO)C 269982a_100011941019_100000211926 [0,1,0,1,0,0|2,0,0]=4 29953 B12R1.321 CCCCN1CCCCC(C1)O 2230a_100025706797_100000210211 [0,1,0,1,0,0|1,0,0]=3 29954 B12R1.321 CCCCN1CCCCC(C1)O 269982a_100025706797_100000210211 [0,1,0,1,0,0|1,0,0]=3 29955 B12R1.321 CCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210211 [0,1,0,1,0,0|2,0,0]=4 29956 B12R1.321 CCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210211 [0,1,0,1,0,0|2,0,0]=4 29957 B12R1.321 CCOCN1CCCCC(C1)O 269982a_100025706797_100000739092 [0,1,0,1,0,0|2,0,0]=4 29958 B12R1.321 COCCN1CCCCC(C1)O 2230a_100025706797_100011201679 [0,1,0,1,0,0|2,0,0]=4 29959 B12R1.321 COCCN1CCCCC(C1)O 269982a_100025706797_100000233755 [0,1,0,1,0,0|2,0,0]=4 29960 B12R1.321 CSCCN1CCCCC(C1)O 2230a_100025706797_100000751147 [0,1,0,1,0,0|2,0,0]=4 29961 B12R1.321 CSCCN1CCCCC(C1)O 269982a_100025706797_100000212216 [0,1,0,1,0,0|2,0,0]=4 29962 B12R1.321 OC1CCCCN(C1)CCCF 2230a_100025706797_100011934791 [0,1,0,1,0,0|2,0,0]=4 29963 B12R1.321 OC1CCCCN(C1)CCCF 269982a_100025706797_100011934791 [0,1,0,1,0,0|2,0,0]=4 29964 B12R1.321 OCCCN1CCCCC(C1)O 2230a_100025706797_100000230001 [0,1,0,1,0,0|1,0,0]=3 29965 B12R1.321 OCCCN1CCCCC(C1)O 269982a_100025706797_100011215043 [0,1,0,1,0,0|1,0,0]=3 29966 B12R1.321 OCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000230001 [0,1,0,1,0,0|2,0,0]=4 29967 B12R1.321 OCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100011215043 [0,1,0,1,0,0|2,0,0]=4 29968 B12R1.333 CCCOC1CN(C1)CCCO 269982a_200020626125_100011215043 [0,1,0,1,0,0|2,0,0]=4 29969 B12R1.333 CCCOC1CN(C1)CCCO 34a_200020626125_100000230001 [0,1,0,1,0,0|2,0,0]=4 29970 B12R1.374 CC1CCC(C(C1)NCCF)C 269862a_100000724931_100000034887 [0,1,0,1,0,0|2,0,0]=4 29971 B12R1.374 CC1CCC(C(C1)NCCO)C 269862a_100000210304_100000034887 [0,1,0,1,0,0|1,0,0]=3 29972 B12R1.374 CC1CCC(C(C1)NCCO)C 270004a_100000210304_100000034887 [0,1,0,1,0,0|1,0,0]=3 29973 B12R1.374 CC1CCC(C(C1)OCCF)C 34a_100011217446_100011217306 [0,1,0,1,0,0|2,0,0]=4 29974 B12R1.374 CC1CCC(C(C1)OCCF)C 7a_100011217446_100011217306 [0,1,0,1,0,0|2,0,0]=4 29975 B12R1.374 CC1CCC(C(C1)OCCO)C 34a_100011217446_100000211926 [0,1,0,1,0,0|1,0,0]=3 29976 B12R1.374 CC1CCC(C(C1)OCCO)C 7a_100011217446_100000211926 [0,1,0,1,0,0|1,0,0]=3 29977 B12R1.374 CCCNC1CC(CCC1C)C 269862a_100020643023_100000034887 [0,1,0,1,0,0|2,0,0]=4 29978 B12R1.374 CCCNC1CC(CCC1C)C 270004a_100020643023_100000034887 [0,1,0,1,0,0|2,0,0]=4 29979 B12R1.374 CCCOC1CC(CCC1C)C 34a_100011217446_100000210303 [0,1,0,1,0,0|2,0,0]=4 29980 B12R1.374 CCCOC1CC(CCC1C)C 7a_100011217446_100000210303 [0,1,0,1,0,0|2,0,0]=4 29981 B12R1.374 C[C@@H]1CN([C@@H](CO1)C)CCCO 2230a_100016991869_100000230001 [0,1,0,1,0,0|2,0,0]=4 29982 B12R1.374 C[C@@H]1CN([C@@H](CO1)C)CCCO 269982a_100016991869_100011215043 [0,1,0,1,0,0|2,0,0]=4 29983 B12R1.374 C[C@@H]1CN([C@@H](CO1)C)CCCO 34a_100016991869_100000230001 [0,1,0,1,0,0|2,0,0]=4 29984 B12R1.376 CCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210211 [0,1,0,1,0,0|1,0,0]=3 29985 B12R1.376 CCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210211 [0,1,0,1,0,0|1,0,0]=3 29986 B12R1.376 CCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210211 [0,1,0,1,0,0|1,0,0]=3 29987 B12R1.376 CCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210211 [0,1,0,1,0,0|1,0,0]=3 29988 B12R1.376 CCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210210 [0,1,0,1,0,0|1,0,0]=3 29989 B12R1.376 CCOCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000739092 [0,1,0,1,0,0|2,0,0]=4 29990 B12R1.376 CCOCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000739092 [0,1,0,1,0,0|2,0,0]=4 29991 B12R1.376 COCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011201679 [0,1,0,1,0,0|2,0,0]=4 29992 B12R1.376 COCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000233755 [0,1,0,1,0,0|2,0,0]=4 29993 B12R1.376 COCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100011201679 [0,1,0,1,0,0|2,0,0]=4 29994 B12R1.376 COCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000233755 [0,1,0,1,0,0|2,0,0]=4 29995 B12R1.376 COCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100011201679 [0,1,0,1,0,0|2,0,0]=4 29996 B12R1.376 CSCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000751147 [0,1,0,1,0,0|2,0,0]=4 29997 B12R1.376 CSCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000212216 [0,1,0,1,0,0|2,0,0]=4 29998 B12R1.376 CSCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000751147 [0,1,0,1,0,0|2,0,0]=4 29999 B12R1.376 CSCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000212216 [0,1,0,1,0,0|2,0,0]=4 30000 B12R1.376 CSCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000212216 [0,1,0,1,0,0|2,0,0]=4 30001 B12R1.376 OCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000230001 [0,1,0,1,0,0|2,0,0]=4 30002 B12R1.376 OCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100011215043 [0,1,0,1,0,0|2,0,0]=4 30003 B12R1.376 OCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000230001 [0,1,0,1,0,0|2,0,0]=4 30004 B12R1.376 OCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100011215043 [0,1,0,1,0,0|2,0,0]=4 30005 B12R1.376 OCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000230001 [0,1,0,1,0,0|2,0,0]=4 30006 B12R1.376 OC[C@@H]1C[C@@H](CN1CCCF)F 2230a_100015204000_100011934791 [0,1,0,1,0,0|2,0,0]=4 30007 B12R1.376 OC[C@@H]1C[C@@H](CN1CCCF)F 269982a_100015204000_100011934791 [0,1,0,1,0,0|2,0,0]=4 30008 B12R1.376 OC[C@@H]1C[C@@H](CN1CCCF)F 34a_100015204000_100011934791 [0,1,0,1,0,0|2,0,0]=4 30009 B12R1.376 OC[C@@H]1C[C@H](CN1CCCF)O 2230a_100000707816_100011934791 [0,1,0,1,0,0|2,0,0]=4 30010 B12R1.376 OC[C@@H]1C[C@H](CN1CCCF)O 269982a_100000707816_100011934791 [0,1,0,1,0,0|2,0,0]=4 30011 B12R1.460 CC1CCCC1C(=O)CCCF 1458a_100000690547_100011934791 [0,1,0,1,0,0|1,0,1]=4 30012 B12R1.460 CC1CCCC1C(=O)CCCO 1458a_100000690547_100011215043 [0,1,0,1,0,0|0,0,1]=3 30013 B12R1.460 CC1CCCC1C(=O)NCCO 240690a_100000210304_100000690547 [0,1,0,1,0,0|1,0,1]=4 30014 B12R1.460 CC1CCCC1C(=O)NCCO 527a_100000210304_100000690547 [0,1,0,1,0,0|1,0,1]=4 30015 B12R1.460 CC1OCCC1N(C)CCCO 270004a_100000213112_100000691750 [0,1,0,1,0,0|2,0,0]=4 30016 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,1,0,1,0,0|1,0,1]=4 30017 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 2230a_100020605311_200011215066 [0,1,0,1,0,0|2,0,0]=4 30018 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 269982a_100020605311_200011215066 [0,1,0,1,0,0|2,0,0]=4 30019 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000210087 [0,1,0,1,0,0|2,0,0]=4 30020 B12R1.460 CCCCC(C)N1CCC[C@H]1C 2230a_100015189458_200011215066 [0,1,0,1,0,0|2,0,0]=4 30021 B12R1.460 CCCCC(C)N1CCC[C@H]1C 269982a_100015189458_200011215066 [0,1,0,1,0,0|2,0,0]=4 30022 B12R1.460 CCCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000210087 [0,1,0,1,0,0|2,0,0]=4 30023 B12R1.460 CCCCC(C)N1CCC[C@H]1C 34a_100015189458_200011215066 [0,1,0,1,0,0|2,0,0]=4 30024 B12R1.460 CCCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000207549_200016002552 [0,1,0,1,0,0|1,0,0]=3 30025 B12R1.460 CN(CCCO)[C@@H]1CCC[C@H]1O 269982a_100000213112_200016002552 [0,1,0,1,0,0|2,0,0]=4 30026 B12R1.460 CN1CCC[C@H]1C(=O)CCCO 1458a_100009816429_100011215043 [0,1,0,1,0,0|1,0,1]=4 30027 B12R1.460 COCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000743101_200016002552 [0,1,0,1,0,0|2,0,0]=4 30028 B12R1.460 CSCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000686725_200016002552 [0,1,0,1,0,0|2,0,0]=4 30029 B12R1.460 C[C@H](OCCO)[C@@H]1CCCN1C 34a_100160487421_100000211926 [0,1,0,1,0,0|2,0,0]=4 30030 B12R1.463 CC(CCCCl)OCC1CCC1 34a_200000718107_100000763275 [0,1,0,1,0,0|2,0,0]=4 30031 B12R1.463 CC(CCCCl)OCC1CCC1 7a_200000718107_100000763275 [0,1,0,1,0,0|2,0,0]=4 30032 B12R1.463 CC(CCCCl)OCC1CCO1 34a_200000718107_100000103362 [0,1,0,1,0,0|2,0,0]=4 30033 B12R1.463 CC(CCCCl)OCC1CCO1 7a_200000718107_100000103362 [0,1,0,1,0,0|2,0,0]=4 30034 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 30035 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 30036 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 30037 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 30038 B12R1.463 CCCCC(C)COC1CCC1 34a_100011995851_100000749161 [0,1,0,1,0,0|2,0,0]=4 30039 B12R1.463 CCCCC(C)NCC1CCC1 2230a_100000126638_100000763275 [0,1,0,1,0,0|2,0,0]=4 30040 B12R1.463 CCCCC(C)NCC1CCC1 2230a_100000738700_200011215066 [0,1,0,1,0,0|2,0,0]=4 30041 B12R1.463 CCCCC(C)NCC1CCC1 269862a_100000126638_100000753134 [0,1,0,1,0,0|2,0,0]=4 30042 B12R1.463 CCCCC(C)NCC1CCC1 270004a_100000738700_100000210087 [0,1,0,1,0,0|2,0,0]=4 30043 B12R1.463 CCCCC(C)NCC1CCC1 34a_100000738700_200011215066 [0,1,0,1,0,0|2,0,0]=4 30044 B12R1.463 CCCCC(C)NCC1CCO1 2230a_100000126638_100000103362 [0,1,0,1,0,0|1,0,0]=3 30045 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 2230a_100020831831_200011215066 [0,1,0,1,0,0|1,0,0]=3 30046 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000210087 [0,1,0,1,0,0|1,0,0]=3 30047 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 34a_100020831831_200011215066 [0,1,0,1,0,0|1,0,0]=3 30048 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000687866_100000763275 [0,1,0,1,0,0|2,0,0]=4 30049 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000760304_200011215066 [0,1,0,1,0,0|2,0,0]=4 30050 B12R1.463 CCCCC(C)OCC1CCC1 7a_100000687866_100000763275 [0,1,0,1,0,0|2,0,0]=4 30051 B12R1.463 CCCCC(C)OCC1CCO1 34a_100000039022_200011215066 [0,1,0,1,0,0|1,0,0]=3 30052 B12R1.463 CCCCC(C)OCC1CCO1 34a_100000687866_100000103362 [0,1,0,1,0,0|1,0,0]=3 30053 B12R1.463 CCCCC(C)OCC1CCO1 7a_100000687866_100000103362 [0,1,0,1,0,0|1,0,0]=3 30054 B12R1.463 CCCCC(C)SCC1CCC1 62a_100000763275_200011215066 [0,1,0,1,0,0|2,0,0]=4 30055 B12R1.463 CCCCC(C)SCC1CCC1 62a_200011215066_100000763275 [0,1,0,1,0,0|2,0,0]=4 30056 B12R1.463 CCCCC(C)SCC1CCO1 62a_100000103362_200011215066 [0,1,0,1,0,0|1,0,0]=3 30057 B12R1.463 CCCCC(C)SCC1CCO1 62a_200011215066_100000103362 [0,1,0,1,0,0|1,0,0]=3 30058 B12R1.463 CCCC[C@H](N)COC1CCC1 34a_100011934283_100000749161 [0,1,0,1,0,0|2,0,0]=4 30059 B12R1.463 CCOCC(C)OCC1CCO1 34a_100000718985_100000103362 [0,1,0,1,0,0|2,0,0]=4 30060 B12R1.463 CCOCC(C)OCC1CCO1 7a_100000718985_100000103362 [0,1,0,1,0,0|2,0,0]=4 30061 B12R1.463 CCSCC(C)NC[C@@H]1CCO1 270004a_100020831831_200011216171 [0,1,0,1,0,0|2,0,0]=4 30062 B12R1.463 COCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000742357 [0,1,0,1,0,0|2,0,0]=4 30063 B12R1.463 CSCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100011217047 [0,1,0,1,0,0|2,0,0]=4 30064 B12R1.463 C[C@H](CCCO)CNC1CCC1 270004a_100160569302_100000241760 [0,1,0,1,0,0|1,0,0]=3 30065 B12R1.463 C[C@H](CCCO)CNC1CCC1 34a_100160569302_100000749161 [0,1,0,1,0,0|1,0,0]=3 30066 B12R1.463 C[C@H](CCCO)CNC1COC1 34a_100160569302_100009818527 [0,1,0,1,0,0|2,0,0]=4 30067 B12R1.464 CC(CCCCl)OCCC1CC1 34a_200000718107_100000694398 [0,1,0,1,0,0|2,0,0]=4 30068 B12R1.464 CC(CCCCl)OCCC1CC1 7a_200000718107_100000764125 [0,1,0,1,0,0|2,0,0]=4 30069 B12R1.464 CC(CCCCl)OCCC1CO1 34a_200000718107_100000732470 [0,1,0,1,0,0|2,0,0]=4 30070 B12R1.464 CC(CCCCl)OCCC1CO1 7a_200000718107_100000732470 [0,1,0,1,0,0|2,0,0]=4 30071 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,1,0,1,0,0|0,0,1]=3 30072 B12R1.464 CCCCC(C)COCC1CC1 34a_100011995851_100000742324 [0,1,0,1,0,0|2,0,0]=4 30073 B12R1.464 CCCCC(C)COCC1CC1 7a_100011995851_100000742324 [0,1,0,1,0,0|2,0,0]=4 30074 B12R1.464 CCCCC(C)COCC1CO1 34a_100011995851_102125554688 [0,1,0,1,0,0|1,0,0]=3 30075 B12R1.464 CCCCC(C)COCC1CO1 7a_100011995851_102125554688 [0,1,0,1,0,0|1,0,0]=3 30076 B12R1.464 CCCCC(C)COCC1CS1 7a_100011995851_100000031435 [0,1,0,1,0,0|1,1,0]=4 30077 B12R1.464 CCCCC(C)COC[C@@H]1CO1 7a_100011995851_100000745022 [0,1,0,1,0,0|1,0,0]=3 30078 B12R1.464 CCCCC(C)NCCC1CC1 2230a_100000126638_100000694398 [0,1,0,1,0,0|2,0,0]=4 30079 B12R1.464 CCCCC(C)NCCC1CC1 270004a_100000764129_100000210087 [0,1,0,1,0,0|2,0,0]=4 30080 B12R1.464 CCCCC(C)NCCC1CC1 34a_100000764129_200011215066 [0,1,0,1,0,0|2,0,0]=4 30081 B12R1.464 CCCCC(C)NCCC1CO1 2230a_100000126638_100000732470 [0,1,0,1,0,0|1,0,0]=3 30082 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000687866_100000694398 [0,1,0,1,0,0|2,0,0]=4 30083 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000754188_200011215066 [0,1,0,1,0,0|2,0,0]=4 30084 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000687866_100000764125 [0,1,0,1,0,0|2,0,0]=4 30085 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000754188_200011215066 [0,1,0,1,0,0|2,0,0]=4 30086 B12R1.464 CCCCC(C)OCCC1CO1 34a_100000687866_100000732470 [0,1,0,1,0,0|1,0,0]=3 30087 B12R1.464 CCCCC(C)OCCC1CO1 7a_100000687866_100000732470 [0,1,0,1,0,0|1,0,0]=3 30088 B12R1.464 CCCCC(C)OCC[C@@H]1CO1 34a_100009820653_200011215066 [0,1,0,1,0,0|1,0,0]=3 30089 B12R1.464 CCCCC(C)SCCC1CC1 62a_100000764125_200011215066 [0,1,0,1,0,0|2,0,0]=4 30090 B12R1.464 CCCCC(C)SCCC1CC1 62a_200011215066_100000764125 [0,1,0,1,0,0|2,0,0]=4 30091 B12R1.464 CCCCC(C)SCCC1CO1 62a_100000732470_200011215066 [0,1,0,1,0,0|1,0,0]=3 30092 B12R1.464 CCCCC(C)SCCC1CO1 62a_200011215066_100000732470 [0,1,0,1,0,0|1,0,0]=3 30093 B12R1.464 CCCCN(C)CCCC1CO1 2230a_100000207549_100000733510 [0,1,0,1,0,0|1,0,0]=3 30094 B12R1.464 CCCCN(C)CCCC1CO1 269982a_100000207549_100000733510 [0,1,0,1,0,0|1,0,0]=3 30095 B12R1.464 CCCC[C@H](N)COCC1CC1 34a_100011934283_100000742324 [0,1,0,1,0,0|2,0,0]=4 30096 B12R1.464 CCCC[C@H](N)COCC1CO1 34a_100011934283_102125554688 [0,1,0,1,0,0|1,0,0]=3 30097 B12R1.464 CCCOC(C)CNCC1CO1 2230a_100015185124_100011216344 [0,1,0,1,0,0|2,0,0]=4 30098 B12R1.464 CCCOC(C)CNCC1CO1 34a_100015185124_102125554688 [0,1,0,1,0,0|2,0,0]=4 30099 B12R1.464 CCOCC(=O)CCCC1CO1 1458a_100000211967_100000733510 [0,1,0,1,0,0|1,0,1]=4 30100 B12R1.464 CCOCC(C)OCCC1CO1 34a_100000718985_100000732470 [0,1,0,1,0,0|2,0,0]=4 30101 B12R1.464 CCOCC(C)OCCC1CO1 7a_100000718985_100000732470 [0,1,0,1,0,0|2,0,0]=4 30102 B12R1.464 CCOCC(O)CNCC1CO1 2230a_102515437182_100011216344 [0,1,0,1,0,0|2,0,0]=4 30103 B12R1.464 CCOCC(O)CNCC1CO1 34a_102515437182_102125554688 [0,1,0,1,0,0|2,0,0]=4 30104 B12R1.464 CCSCC(=O)CCCC1CO1 1458a_100000230394_100000733510 [0,1,0,1,0,0|1,0,1]=4 30105 B12R1.464 CN(CCCO)CCCC1CO1 2230a_100000213112_100000733510 [0,1,0,1,0,0|2,0,0]=4 30106 B12R1.464 CN(CCCO)CCCC1CO1 269982a_100000213112_100000733510 [0,1,0,1,0,0|2,0,0]=4 30107 B12R1.464 COCCC(=O)CCCC1CO1 1458a_100000749529_100000733510 [0,1,0,1,0,0|1,0,1]=4 30108 B12R1.464 COCCN(C)CCCC1CO1 2230a_100000743101_100000733510 [0,1,0,1,0,0|2,0,0]=4 30109 B12R1.464 COCCN(C)CCCC1CO1 269982a_100000743101_100000733510 [0,1,0,1,0,0|2,0,0]=4 30110 B12R1.464 CSCCC(=O)CCCC1CO1 1458a_100000174002_100000733510 [0,1,0,1,0,0|1,0,1]=4 30111 B12R1.464 CSCCN(C)CCCC1CO1 2230a_100000686725_100000733510 [0,1,0,1,0,0|2,0,0]=4 30112 B12R1.464 CSCCN(C)CCCC1CO1 269982a_100000686725_100000733510 [0,1,0,1,0,0|2,0,0]=4 30113 B12R1.464 CSCC[C@H](N)COCC1CO1 34a_100011827619_102125554688 [0,1,0,1,0,0|2,0,0]=4 30114 B12R1.464 C[C@H](CCCO)CNCC1CC1 2230a_100160569302_100000742324 [0,1,0,1,0,0|1,0,0]=3 30115 B12R1.464 C[C@H](CCCO)CNCC1CC1 269862a_100160569302_100000741477 [0,1,0,1,0,0|1,0,0]=3 30116 B12R1.464 C[C@H](CCCO)CNCC1CC1 34a_100160569302_100000742324 [0,1,0,1,0,0|1,0,0]=3 30117 B12R1.464 C[C@H](CCCO)CNCC1CO1 2230a_100160569302_100011216344 [0,1,0,1,0,0|2,0,0]=4 30118 B12R1.464 C[C@H](CCCO)CNCC1CO1 34a_100160569302_102125554688 [0,1,0,1,0,0|2,0,0]=4 30119 B12R1.464 O=C(CCCO)CSCC1CC1 1458a_200011316215_100011215043 [0,1,0,1,0,0|1,0,1]=4 30120 B12R1.549 CCCCC(C)OCC1CC1C 34a_100000744939_200011215066 [0,1,0,1,0,0|2,0,0]=4 30121 B12R1.549 CCCCC(C)OCC1CC1C 7a_100000744939_200011215066 [0,1,0,1,0,0|2,0,0]=4 30122 B12R1.561 CC(NCCCCF)C1CCC1 2230a_100016994624_100000729493 [0,1,0,1,0,0|2,0,0]=4 30123 B12R1.561 CC(NCCCCF)C1CCC1 34a_100016994624_100000729493 [0,1,0,1,0,0|2,0,0]=4 30124 B12R1.561 CC(NCCCCO)C1CCC1 2230a_100016994624_100000210776 [0,1,0,1,0,0|1,0,0]=3 30125 B12R1.561 CC(NCCCCO)C1CCC1 269862a_100000750430_100000760154 [0,1,0,1,0,0|1,0,0]=3 30126 B12R1.561 CC(NCCCCO)C1CCC1 34a_100016994624_100011216708 [0,1,0,1,0,0|1,0,0]=3 30127 B12R1.561 CC(OCCCCF)C1CCC1 34a_100000766398_100000729493 [0,1,0,1,0,0|2,0,0]=4 30128 B12R1.561 CC(OCCCCF)C1CCC1 7a_100000766398_100000729493 [0,1,0,1,0,0|2,0,0]=4 30129 B12R1.561 CC(OCCCCO)C1CCC1 34a_100000766398_100011216708 [0,1,0,1,0,0|1,0,0]=3 30130 B12R1.561 CC(OCCCCO)C1CCC1 7a_100000766398_100000210776 [0,1,0,1,0,0|1,0,0]=3 30131 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,1,0,1,0,0|1,0,1]=4 30132 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,1,0,1,0,0|1,0,1]=4 30133 B12R1.561 CCCCCCC(=O)C1CCO1 1458a_100000089072_100000210757 [0,1,0,1,0,0|0,0,1]=3 30134 B12R1.561 CCCCCCC(C)N1CCC1 269982a_100000754969_100011215978 [0,1,0,1,0,0|2,0,0]=4 30135 B12R1.561 CCCCCCN(C)C1CCC1 2230a_100000758072_100000210314 [0,1,0,1,0,0|2,0,0]=4 30136 B12R1.561 CCCCCCN(C)C1CCC1 269982a_100000758072_100000210757 [0,1,0,1,0,0|2,0,0]=4 30137 B12R1.561 CCCCCCN(C)C1CCC1 269982a_106256046315_100000749161 [0,1,0,1,0,0|2,0,0]=4 30138 B12R1.561 CCCCCCN(C)C1CCC1 270004a_106256046315_100000241760 [0,1,0,1,0,0|2,0,0]=4 30139 B12R1.561 CCCCCCN(C)C1CCC1 34a_100000758072_100000210314 [0,1,0,1,0,0|2,0,0]=4 30140 B12R1.561 CCCCCNC(=O)C1CCO1 11a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 30141 B12R1.561 CCCCCNC(=O)C1CCO1 1626a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 30142 B12R1.561 CCCCCNC(=O)C1CCO1 240690a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 30143 B12R1.561 CCCCCNC(=O)C1CCO1 527a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 30144 B12R1.561 CCCCCNC(C)C1CCC1 2230a_100016994624_100000210326 [0,1,0,1,0,0|2,0,0]=4 30145 B12R1.561 CCCCCNC(C)C1CCC1 269862a_100000209983_100000760154 [0,1,0,1,0,0|2,0,0]=4 30146 B12R1.561 CCCCCNC(C)C1CCC1 34a_100016994624_100000718602 [0,1,0,1,0,0|2,0,0]=4 30147 B12R1.561 CCCCCOC(C)C1CCC1 34a_100000766398_100000718602 [0,1,0,1,0,0|2,0,0]=4 30148 B12R1.561 CCCCCOC(C)C1CCC1 7a_100000766398_100000210326 [0,1,0,1,0,0|2,0,0]=4 30149 B12R1.561 CCCCOCC(=O)C1CCO1 1458a_100000089072_100011995733 [0,1,0,1,0,0|1,0,1]=4 30150 B12R1.561 CCCOCCC(=O)C1CCO1 1458a_100000089072_100011215938 [0,1,0,1,0,0|1,0,1]=4 30151 B12R1.561 CCOCCCC(=O)C1CCO1 1458a_100000089072_100012232248 [0,1,0,1,0,0|1,0,1]=4 30152 B12R1.561 CN(CCCCCF)C1CCC1 2230a_100000758072_100000729378 [0,1,0,1,0,0|2,0,0]=4 30153 B12R1.561 CN(CCCCCF)C1CCC1 269982a_100000758072_100000729378 [0,1,0,1,0,0|2,0,0]=4 30154 B12R1.561 CN(CCCCCF)C1CCC1 34a_100000758072_100000729378 [0,1,0,1,0,0|2,0,0]=4 30155 B12R1.561 CN(CCCCCO)C1CCC1 2230a_100000758072_100000746330 [0,1,0,1,0,0|1,0,0]=3 30156 B12R1.561 CN(CCCCCO)C1CCC1 269982a_100000722520_100000749161 [0,1,0,1,0,0|1,0,0]=3 30157 B12R1.561 CN(CCCCCO)C1CCC1 269982a_100000758072_100000746330 [0,1,0,1,0,0|1,0,0]=3 30158 B12R1.561 CN(CCCCCO)C1CCC1 270004a_100000722520_100000241760 [0,1,0,1,0,0|1,0,0]=3 30159 B12R1.561 CN(CCCCCO)C1CCC1 34a_100000758072_100000746330 [0,1,0,1,0,0|1,0,0]=3 30160 B12R1.561 CN(CCCCCO)C1COC1 2230a_100102693430_100000746330 [0,1,0,1,0,0|2,0,0]=4 30161 B12R1.561 CN(CCCCCO)C1COC1 269982a_100000722520_100000687716 [0,1,0,1,0,0|2,0,0]=4 30162 B12R1.561 CN(CCCCCO)C1COC1 269982a_100102693430_100000746330 [0,1,0,1,0,0|2,0,0]=4 30163 B12R1.561 CN(CCOCCO)C1CCC1 2230a_100000758072_100011215305 [0,1,0,1,0,0|2,0,0]=4 30164 B12R1.561 CN(CCOCCO)C1CCC1 269982a_100000228057_100000749161 [0,1,0,1,0,0|2,0,0]=4 30165 B12R1.561 CN(CCOCCO)C1CCC1 269982a_100000758072_100011215305 [0,1,0,1,0,0|2,0,0]=4 30166 B12R1.561 CN(CCOCCO)C1CCC1 270004a_100000228057_100000241760 [0,1,0,1,0,0|2,0,0]=4 30167 B12R1.561 CN(CCOCCO)C1CCC1 34a_100000758072_100000692535 [0,1,0,1,0,0|2,0,0]=4 30168 B12R1.561 COCCCCC(=O)C1CCO1 1458a_100000089072_100000755781 [0,1,0,1,0,0|1,0,1]=4 30169 B12R1.561 N[C@H](COCCCO)C1COC1 34a_217856628679_100000230001 [0,1,0,1,0,0|2,0,0]=4 30170 B12R1.561 O=C(CCCCCF)C1CCC1 1458a_100000209988_100000729378 [0,1,0,1,0,0|1,0,1]=4 30171 B12R1.561 O=C(CCCCCF)C1CCO1 1458a_100000089072_100000729378 [0,1,0,1,0,0|1,0,1]=4 30172 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100000209988_100000746330 [0,1,0,1,0,0|0,0,1]=3 30173 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100102619762_100000749161 [0,1,0,1,0,0|0,0,1]=3 30174 B12R1.561 O=C(CCCCCO)C1CCO1 1458a_100000089072_100000746330 [0,1,0,1,0,0|1,0,1]=4 30175 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100000758290_100000746330 [0,1,0,1,0,0|1,0,1]=4 30176 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100102619762_100000687716 [0,1,0,1,0,0|1,0,1]=4 30177 B12R1.561 O=C(CCCCCO)N1CCC1 240690a_100000754969_100102619762 [0,1,0,1,0,0|1,0,1]=4 30178 B12R1.561 O=C(CCOCCO)C1CCC1 1458a_100000209988_100011215305 [0,1,0,1,0,0|1,0,1]=4 30179 B12R1.561 O=C(CCOCCO)C1CCC1 1458a_100011229844_100000749161 [0,1,0,1,0,0|1,0,1]=4 30180 B12R1.561 O=C(CSCCCO)C1CCC1 62a_100000686122_100011215043 [0,1,0,1,0,0|1,0,1]=4 30181 B12R1.561 O=C(CSCCCO)C1CCC1 62a_100011215043_100000686122 [0,1,0,1,0,0|1,0,1]=4 30182 B12R1.561 O=C(NCCCCO)C1CCC1 240690a_100000750430_100000209988 [0,1,0,1,0,0|1,0,1]=4 30183 B12R1.561 O=C(NCCCCO)C1CCC1 527a_100000750430_100000209988 [0,1,0,1,0,0|1,0,1]=4 30184 B12R1.563 CC(CC1CC1)NCCCCO 270004a_100000750430_200000686933 [0,1,0,1,0,0|1,0,0]=3 30185 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,1,0,1,0,0|1,0,1]=4 30186 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,1,0,1,0,0|1,0,1]=4 30187 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,1,0,1,0,0|0,0,1]=3 30188 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,1,0,1,0,0|0,1,1]=4 30189 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,1,0,1,0,0|0,0,1]=3 30190 B12R1.563 CCCCCCC(C)NC1CC1 34a_100000210919_100000211595 [0,1,0,1,0,0|2,0,0]=4 30191 B12R1.563 CCCCCCC(C)NC1CC1 34a_100000212008_100011215978 [0,1,0,1,0,0|2,0,0]=4 30192 B12R1.563 CCCCCCC(C)OC1CC1 34a_100000210265_100000211595 [0,1,0,1,0,0|2,0,0]=4 30193 B12R1.563 CCCCCCC(C)SC1CC1 62a_100011215978_100000211595 [0,1,0,1,0,0|2,0,0]=4 30194 B12R1.563 CCCCCCN(C)CC1CC1 2230a_100000741881_100000210314 [0,1,0,1,0,0|2,0,0]=4 30195 B12R1.563 CCCCCCN(C)CC1CC1 2230a_106256046315_100000742324 [0,1,0,1,0,0|2,0,0]=4 30196 B12R1.563 CCCCCCN(C)CC1CC1 269982a_100000741881_100000210757 [0,1,0,1,0,0|2,0,0]=4 30197 B12R1.563 CCCCCCN(C)CC1CC1 269982a_106256046315_100000756562 [0,1,0,1,0,0|2,0,0]=4 30198 B12R1.563 CCCCCCN(C)CC1CO1 2230a_106256046315_100011216344 [0,1,0,1,0,0|1,0,0]=3 30199 B12R1.563 CCCCCCN(C)CC1CO1 269982a_106256046315_102125554688 [0,1,0,1,0,0|1,0,0]=3 30200 B12R1.563 CCCCCCN(C)CC1CS1 269982a_106256046315_100000031435 [0,1,0,1,0,0|1,1,0]=4 30201 B12R1.563 CCCCCCN(C)C[C@@H]1CO1 269982a_106256046315_100000745022 [0,1,0,1,0,0|1,0,0]=3 30202 B12R1.563 CCCCCNC(C)CC1CC1 270004a_100000209983_200000686933 [0,1,0,1,0,0|2,0,0]=4 30203 B12R1.563 CCCCOCC(=O)CC1CO1 1458a_100000757543_100011216344 [0,1,0,1,0,0|1,0,1]=4 30204 B12R1.563 CCCCOCC(=O)C[C@@H]1CO1 1458a_100000757543_100000745022 [0,1,0,1,0,0|1,0,1]=4 30205 B12R1.563 CCCCSCC(=O)CC1CO1 1458a_100000191162_100011216344 [0,1,0,1,0,0|1,0,1]=4 30206 B12R1.563 CCCCSCC(=O)C[C@@H]1CO1 1458a_100000191162_100000745022 [0,1,0,1,0,0|1,0,1]=4 30207 B12R1.563 CN(CCCCCF)CC1CC1 2230a_100000741881_100000729378 [0,1,0,1,0,0|2,0,0]=4 30208 B12R1.563 CN(CCCCCF)CC1CC1 269982a_100000741881_100000729378 [0,1,0,1,0,0|2,0,0]=4 30209 B12R1.563 CN(CCCCCO)CC1CC1 2230a_100000722520_100000742324 [0,1,0,1,0,0|1,0,0]=3 30210 B12R1.563 CN(CCCCCO)CC1CC1 2230a_100000741881_100000746330 [0,1,0,1,0,0|1,0,0]=3 30211 B12R1.563 CN(CCCCCO)CC1CC1 269982a_100000722520_100000756562 [0,1,0,1,0,0|1,0,0]=3 30212 B12R1.563 CN(CCCCCO)CC1CC1 269982a_100000741881_100000746330 [0,1,0,1,0,0|1,0,0]=3 30213 B12R1.563 CN(CCCCCO)CC1CO1 2230a_100000722520_100011216344 [0,1,0,1,0,0|2,0,0]=4 30214 B12R1.563 CN(CCCCCO)CC1CO1 269982a_100000722520_102125554688 [0,1,0,1,0,0|2,0,0]=4 30215 B12R1.563 CN(CCCCCO)CC1CS1 269982a_100000722520_100000031435 [0,1,0,1,0,0|2,0,0]=4 30216 B12R1.563 CN(CCCCCO)C[C@@H]1CO1 269982a_100000722520_100000745022 [0,1,0,1,0,0|2,0,0]=4 30217 B12R1.563 CN(CCOCCO)CC1CC1 2230a_100000228057_100000742324 [0,1,0,1,0,0|2,0,0]=4 30218 B12R1.563 CN(CCOCCO)CC1CC1 2230a_100000741881_100011215305 [0,1,0,1,0,0|2,0,0]=4 30219 B12R1.563 CN(CCOCCO)CC1CC1 269982a_100000228057_100000756562 [0,1,0,1,0,0|2,0,0]=4 30220 B12R1.563 CN(CCOCCO)CC1CC1 269982a_100000741881_100011215305 [0,1,0,1,0,0|2,0,0]=4 30221 B12R1.563 O=C(CC1CC1)NCCCCO 240690a_100000750430_100000738066 [0,1,0,1,0,0|1,0,1]=4 30222 B12R1.563 O=C(CC1CC1)NCCCCO 527a_100000750430_100000738066 [0,1,0,1,0,0|1,0,1]=4 30223 B12R1.563 O=C(CCCCCF)CC1CC1 1458a_100000738066_100000729378 [0,1,0,1,0,0|1,0,1]=4 30224 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100000738066_100000746330 [0,1,0,1,0,0|0,0,1]=3 30225 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100102619762_100000742324 [0,1,0,1,0,0|0,0,1]=3 30226 B12R1.563 O=C(CCCCCO)CC1CO1 1458a_100102619762_100011216344 [0,1,0,1,0,0|1,0,1]=4 30227 B12R1.563 O=C(CCCCCO)CC1CS1 1458a_100102619762_100000031435 [0,1,0,1,0,0|1,0,1]=4 30228 B12R1.563 O=C(CCCCCO)C[C@@H]1CO1 1458a_100102619762_100000745022 [0,1,0,1,0,0|1,0,1]=4 30229 B12R1.563 O=C(CCCCCO)NC1CC1 240690a_100000212008_100102619762 [0,1,0,1,0,0|1,0,1]=4 30230 B12R1.563 O=C(CCOCCO)CC1CC1 1458a_100000738066_100011215305 [0,1,0,1,0,0|1,0,1]=4 30231 B12R1.563 O=C(CCOCCO)CC1CC1 1458a_100011229844_100000742324 [0,1,0,1,0,0|1,0,1]=4 30232 B12R1.567 CC1CCC(N1CCCCF)C 2230a_100000687148_100000729493 [0,1,0,1,0,0|2,0,0]=4 30233 B12R1.567 CC1CCC(N1CCCCF)C 269982a_100000687148_100000729493 [0,1,0,1,0,0|2,0,0]=4 30234 B12R1.567 CC1CCC(N1CCCCF)C 34a_100000687148_100000729493 [0,1,0,1,0,0|2,0,0]=4 30235 B12R1.567 CC1CCC(N1CCCCO)C 2230a_100000687148_100000210776 [0,1,0,1,0,0|1,0,0]=3 30236 B12R1.567 CC1CCC(N1CCCCO)C 269982a_100000687148_100000210776 [0,1,0,1,0,0|1,0,0]=3 30237 B12R1.567 CC1CCC(N1CCCCO)C 34a_100000687148_100011216708 [0,1,0,1,0,0|1,0,0]=3 30238 B12R1.567 CCCCCN1C(CCC1C)C 2230a_100000687148_100000210326 [0,1,0,1,0,0|2,0,0]=4 30239 B12R1.567 CCCCCN1C(CCC1C)C 269982a_100000687148_100000210215 [0,1,0,1,0,0|2,0,0]=4 30240 B12R1.567 CCCCCN1C(CCC1C)C 34a_100000687148_100000718602 [0,1,0,1,0,0|2,0,0]=4 30241 B12R1.1758 CC1(CCCC1)OCCCCF 34a_100000751722_100000729493 [0,1,0,1,0,0|2,0,0]=4 30242 B12R1.1758 CC1(CCCC1)OCCCCF 7a_100000751722_100000729493 [0,1,0,1,0,0|2,0,0]=4 30243 B12R1.1758 CC1(CCCC1)OCCCCO 34a_100000751722_100011216708 [0,1,0,1,0,0|1,0,0]=3 30244 B12R1.1758 CC1(CCCC1)OCCCCO 7a_100000751722_100000210776 [0,1,0,1,0,0|1,0,0]=3 30245 B12R1.1758 CC1(CCOC1)NCCCCO 2230a_100000693475_100000210776 [0,1,0,1,0,0|2,0,0]=4 30246 B12R1.1758 CCCCCOC1(CCCC1)C 34a_100000751722_100000718602 [0,1,0,1,0,0|2,0,0]=4 30247 B12R1.1758 CCCCCOC1(CCCC1)C 7a_100000751722_100000210326 [0,1,0,1,0,0|2,0,0]=4 30248 B12R1.1758 CCCCNCC1(CCCC1)O 2230a_100000737848_100000210211 [0,1,0,1,0,0|2,0,0]=4 30249 B12R1.1758 CCCCNCC1(OCCO1)C 2230a_100000691740_100000210211 [0,1,0,1,0,0|2,0,0]=4 30250 B12R1.1758 CCCCOCC1(CCCC1)N 34a_100000749328_100000210210 [0,1,0,1,0,0|2,0,0]=4 30251 B12R1.1758 CCCCOC[C@@]1(CCCN1)C 34a_100016195882_100000210210 [0,1,0,1,0,0|2,0,0]=4 30252 B12R1.1758 CCCCSCC1(OCCO1)C 62a_100000210211_100009818610 [0,1,0,1,0,0|2,0,0]=4 30253 B12R1.1758 CCCCSCC1(OCCO1)C 62a_100009818610_100000210210 [0,1,0,1,0,0|2,0,0]=4 30254 B12R1.1758 CCCNCCC1(CCCC1)O 34a_100000719956_100000210303 [0,1,0,1,0,0|2,0,0]=4 30255 B12R1.1758 CCCNCCC1(OCCO1)C 2230a_100000073055_100000210303 [0,1,0,1,0,0|2,0,0]=4 30256 B12R1.1758 CCCOCCC1(OCCO1)C 34a_100000210258_100000758764 [0,1,0,1,0,0|2,0,0]=4 30257 B12R1.1758 CCCOCCC1(OCCO1)C 7a_100009861814_100000210303 [0,1,0,1,0,0|2,0,0]=4 30258 B12R1.1758 CCCSCCC1(OCCO1)C 62a_100000210303_100000758764 [0,1,0,1,0,0|2,0,0]=4 30259 B12R1.1758 CCCSCCC1(OCCO1)C 62a_100000758764_100000210303 [0,1,0,1,0,0|2,0,0]=4 30260 B12R1.1758 CCNCCCC1(OCCO1)C 2230a_100015525214_100000037737 [0,1,0,1,0,0|2,0,0]=4 30261 B12R1.1758 CCOCCCC1(OCCO1)C 34a_100121572206_100000037737 [0,1,0,1,0,0|2,0,0]=4 30262 B12R1.1758 CCSCCCC1(OCCO1)C 62a_100000037737_100000210202 [0,1,0,1,0,0|2,0,0]=4 30263 B12R1.1758 CCSCCCC1(OCCO1)C 62a_100000210202_100000037737 [0,1,0,1,0,0|2,0,0]=4 30264 B12R1.1758 C[C@]1(CCCN1)COCCCO 34a_100016195882_100000230001 [0,1,0,1,0,0|2,0,0]=4 30265 B12R1.1758 NC1(CCCC1)COCCCF 34a_100000749328_100011934791 [0,1,0,1,0,0|2,0,0]=4 30266 B12R1.1758 NC1(CCCC1)COCCCO 34a_100000749328_100000230001 [0,1,0,1,0,0|1,0,0]=3 30267 B12R1.1758 OC1(CCCC1)CCNCCF 34a_100000719956_100011217306 [0,1,0,1,0,0|2,0,0]=4 30268 B12R1.1758 OC1(CCCC1)CNCCCF 2230a_100000737848_100011934791 [0,1,0,1,0,0|2,0,0]=4 30269 B12R1.1758 OCCCNCC1(CCCC1)O 2230a_100000737848_100000230001 [0,1,0,1,0,0|1,0,0]=3 30270 B12R1.1758 OCCNCCC1(CCCC1)O 34a_100000719956_100000211926 [0,1,0,1,0,0|1,0,0]=3 30271 B12R1.1785 CC1(CCCCCC1)NCCF 2230a_100000704638_100011217306 [0,1,0,1,0,0|2,0,0]=4 30272 B12R1.1785 CC1(CCCCCC1)NCCF 34a_100000704638_100011217306 [0,1,0,1,0,0|2,0,0]=4 30273 B12R1.1785 CC1(CCCCCC1)NCCO 2230a_100000704638_100000211926 [0,1,0,1,0,0|1,0,0]=3 30274 B12R1.1785 CC1(CCCCCC1)NCCO 34a_100000704638_100000211926 [0,1,0,1,0,0|1,0,0]=3 30275 B12R1.1785 CC1(CCCCCC1)OCCF 34a_100000708895_100011217306 [0,1,0,1,0,0|2,0,0]=4 30276 B12R1.1785 CC1(CCCCCC1)OCCF 7a_100000708895_100011217306 [0,1,0,1,0,0|2,0,0]=4 30277 B12R1.1785 CC1(CCCCCC1)OCCO 34a_100000708895_100000211926 [0,1,0,1,0,0|1,0,0]=3 30278 B12R1.1785 CC1(CCCCCC1)OCCO 7a_100000708895_100000211926 [0,1,0,1,0,0|1,0,0]=3 30279 B12R1.1785 CC1(CCCNCC1)OCCO 34a_100000723723_100000211926 [0,1,0,1,0,0|2,0,0]=4 30280 B12R1.1785 CCCNC1(CCCCCC1)C 2230a_100000704638_100000210303 [0,1,0,1,0,0|2,0,0]=4 30281 B12R1.1785 CCCNC1(CCCCCC1)C 34a_100000704638_100000210303 [0,1,0,1,0,0|2,0,0]=4 30282 B12R1.1785 CCCOC1(CCCCCC1)C 34a_100000708895_100000210303 [0,1,0,1,0,0|2,0,0]=4 30283 B12R1.1785 CCCOC1(CCCCCC1)C 7a_100000708895_100000210303 [0,1,0,1,0,0|2,0,0]=4 30284 B12R1.2563 CC1CC1C(=O)CCCCCF 1458a_100000211227_100000729378 [0,1,0,1,0,0|1,0,1]=4 30285 B12R1.2563 CC1CC1C(=O)CCCCCO 1458a_100000211227_100000746330 [0,1,0,1,0,0|0,0,1]=3 30286 B12R1.2563 CC1CC1C(=O)CCOCCO 1458a_100000211227_100011215305 [0,1,0,1,0,0|1,0,1]=4 30287 B12R1.2563 CC1CC1C(=O)NCCCCO 527a_100000750430_100000211227 [0,1,0,1,0,0|1,0,1]=4 30288 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,1,0,1,0,0|1,0,1]=4 30289 B12R1.2563 CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210757 [0,1,0,1,0,0|1,0,1]=4 30290 B12R1.2563 O=C(CCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000746330 [0,1,0,1,0,0|1,0,1]=4 30291 B12R1.35 CC(CSCCO)N1CCCC1 62a_100000211926_200015187269 [0,1,0,1,0,0|2,0,0]=4 30292 B12R1.35 CC(CSCCO)N1CCCC1 62a_200015187269_100000211926 [0,1,0,1,0,0|2,0,0]=4 30293 B12R1.35 CC(NCCCF)C1CCCC1 2230a_100015185923_100011934791 [0,1,0,1,0,0|2,0,0]=4 30294 B12R1.35 CC(NCCCF)C1CCCC1 269862a_100015189416_100000749594 [0,1,0,1,0,0|2,0,0]=4 30295 B12R1.35 CC(NCCCF)C1CCCC1 270004a_100015189416_100000749594 [0,1,0,1,0,0|2,0,0]=4 30296 B12R1.35 CC(NCCCF)C1CCCC1 34a_100015185923_100011934791 [0,1,0,1,0,0|2,0,0]=4 30297 B12R1.35 CC(NCCCF)C1CCCO1 2230a_100025754208_100011934791 [0,1,0,1,0,0|2,0,0]=4 30298 B12R1.35 CC(NCCCF)C1CCCO1 34a_100025754208_100011934791 [0,1,0,1,0,0|2,0,0]=4 30299 B12R1.35 CC(NCCCO)C1CCCC1 2230a_100015185923_100000230001 [0,1,0,1,0,0|1,0,0]=3 30300 B12R1.35 CC(NCCCO)C1CCCC1 269862a_100000182051_100000749594 [0,1,0,1,0,0|1,0,0]=3 30301 B12R1.35 CC(NCCCO)C1CCCC1 270004a_100000182051_100000749594 [0,1,0,1,0,0|1,0,0]=3 30302 B12R1.35 CC(NCCCO)C1CCCC1 34a_100015185923_100000230001 [0,1,0,1,0,0|1,0,0]=3 30303 B12R1.35 CC(NCCCO)C1CCCO1 2230a_100025754208_100000230001 [0,1,0,1,0,0|2,0,0]=4 30304 B12R1.35 CC(NCCCO)C1CCCO1 34a_100025754208_100000230001 [0,1,0,1,0,0|2,0,0]=4 30305 B12R1.35 CC(OCCCF)C1CCCC1 34a_100011216366_100011934791 [0,1,0,1,0,0|2,0,0]=4 30306 B12R1.35 CC(OCCCF)C1CCCC1 7a_100011216366_100011934791 [0,1,0,1,0,0|2,0,0]=4 30307 B12R1.35 CC(OCCCO)C1CCCC1 34a_100011216366_100000230001 [0,1,0,1,0,0|1,0,0]=3 30308 B12R1.35 CC(OCCCO)C1CCCC1 7a_100011216366_100011215043 [0,1,0,1,0,0|1,0,0]=3 30309 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000210718_100000210326 [0,1,0,1,0,0|1,0,1]=4 30310 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000212188_100000179811 [0,1,0,1,0,0|1,0,1]=4 30311 B12R1.35 CCCCCC(=O)C1CCCS1 1458a_100012002731_100000210326 [0,1,0,1,0,0|0,1,1]=4 30312 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [0,1,0,1,0,0|0,0,1]=3 30313 B12R1.35 CCCCCC(C)N1CCCC1 2230a_100000188435_200011218191 [0,1,0,1,0,0|2,0,0]=4 30314 B12R1.35 CCCCCC(C)N1CCCC1 269982a_100000188435_200011218191 [0,1,0,1,0,0|2,0,0]=4 30315 B12R1.35 CCCCCC(C)N1CCCC1 270004a_100000188435_100000211708 [0,1,0,1,0,0|2,0,0]=4 30316 B12R1.35 CCCCCN(C)C1CCCC1 2230a_100000207505_100000210326 [0,1,0,1,0,0|2,0,0]=4 30317 B12R1.35 CCCCCN(C)C1CCCC1 2230a_100000223495_100000179811 [0,1,0,1,0,0|2,0,0]=4 30318 B12R1.35 CCCCCN(C)C1CCCC1 269982a_100000207505_100000210215 [0,1,0,1,0,0|2,0,0]=4 30319 B12R1.35 CCCCCN(C)C1CCCC1 269982a_100000223495_100000179811 [0,1,0,1,0,0|2,0,0]=4 30320 B12R1.35 CCCCCN(C)C1CCCC1 270004a_100000223495_100000210133 [0,1,0,1,0,0|2,0,0]=4 30321 B12R1.35 CCCCCN(C)C1CCCC1 34a_100000207505_100000718602 [0,1,0,1,0,0|2,0,0]=4 30322 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 11a_100000102301_100000686382 [0,1,0,1,0,0|1,0,1]=4 30323 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 1626a_100000102301_100000686382 [0,1,0,1,0,0|1,0,1]=4 30324 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 240690a_100000102301_100000686382 [0,1,0,1,0,0|1,0,1]=4 30325 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 527a_100000102301_100000686382 [0,1,0,1,0,0|1,0,1]=4 30326 B12R1.35 CCCCNC(C)C1CCCC1 2230a_100015185923_100000210211 [0,1,0,1,0,0|2,0,0]=4 30327 B12R1.35 CCCCNC(C)C1CCCC1 269862a_100000102301_100000749594 [0,1,0,1,0,0|2,0,0]=4 30328 B12R1.35 CCCCNC(C)C1CCCC1 270004a_100000102301_100000749594 [0,1,0,1,0,0|2,0,0]=4 30329 B12R1.35 CCCCNC(C)C1CCCC1 34a_100015185923_100000210210 [0,1,0,1,0,0|2,0,0]=4 30330 B12R1.35 CCCCNC(C)C1CCCO1 2230a_100025754208_100000210211 [0,1,0,1,0,0|1,0,0]=3 30331 B12R1.35 CCCCNC(C)C1CCCO1 34a_100025754208_100000210210 [0,1,0,1,0,0|1,0,0]=3 30332 B12R1.35 CCCCOC(C)C1CCCC1 34a_100011216366_100000210210 [0,1,0,1,0,0|2,0,0]=4 30333 B12R1.35 CCCCOC(C)C1CCCC1 7a_100011216366_100000210211 [0,1,0,1,0,0|2,0,0]=4 30334 B12R1.35 CCOCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215890 [0,1,0,1,0,0|1,0,1]=4 30335 B12R1.35 CCSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757381 [0,1,0,1,0,0|1,0,1]=4 30336 B12R1.35 CN(CCCCF)C1CCCC1 2230a_100000207505_100000729493 [0,1,0,1,0,0|2,0,0]=4 30337 B12R1.35 CN(CCCCF)C1CCCC1 269982a_100000207505_100000729493 [0,1,0,1,0,0|2,0,0]=4 30338 B12R1.35 CN(CCCCF)C1CCCC1 34a_100000207505_100000729493 [0,1,0,1,0,0|2,0,0]=4 30339 B12R1.35 CN(CCCCO)C1CCCC1 2230a_100000207505_100000210776 [0,1,0,1,0,0|1,0,0]=3 30340 B12R1.35 CN(CCCCO)C1CCCC1 2230a_100000717598_100000179811 [0,1,0,1,0,0|1,0,0]=3 30341 B12R1.35 CN(CCCCO)C1CCCC1 269982a_100000207505_100000210776 [0,1,0,1,0,0|1,0,0]=3 30342 B12R1.35 CN(CCCCO)C1CCCC1 269982a_100000717598_100000179811 [0,1,0,1,0,0|1,0,0]=3 30343 B12R1.35 CN(CCCCO)C1CCCC1 270004a_100000717598_100000210133 [0,1,0,1,0,0|1,0,0]=3 30344 B12R1.35 CN(CCCCO)C1CCCC1 34a_100000207505_100011216708 [0,1,0,1,0,0|1,0,0]=3 30345 B12R1.35 CN(CCCCO)C1CCOC1 2230a_100000717598_100000731011 [0,1,0,1,0,0|2,0,0]=4 30346 B12R1.35 CN(CCCCO)C1CCOC1 2230a_100016988252_100000210776 [0,1,0,1,0,0|2,0,0]=4 30347 B12R1.35 CN(CCCCO)C1CCOC1 269982a_100000717598_100000731011 [0,1,0,1,0,0|2,0,0]=4 30348 B12R1.35 CN(CCCCO)C1CCOC1 269982a_100016988252_100000210776 [0,1,0,1,0,0|2,0,0]=4 30349 B12R1.35 CN(CCCCO)C1CCOC1 270004a_100000717598_100000752484 [0,1,0,1,0,0|2,0,0]=4 30350 B12R1.35 CN(CCCCO)C1CCOC1 34a_100016988252_100011216708 [0,1,0,1,0,0|2,0,0]=4 30351 B12R1.35 CN(CCCCO)C1CCSC1 270004a_100000717598_100000212027 [0,1,0,1,0,0|2,0,0]=4 30352 B12R1.35 COCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000740836 [0,1,0,1,0,0|1,0,1]=4 30353 B12R1.35 COCCNC(C)C1CCCO1 2230a_100025754208_100011201679 [0,1,0,1,0,0|2,0,0]=4 30354 B12R1.35 COCCNC(C)C1CCCO1 34a_100025754208_100011201679 [0,1,0,1,0,0|2,0,0]=4 30355 B12R1.35 CSCCNC(C)C1CCCO1 2230a_100025754208_100000751147 [0,1,0,1,0,0|2,0,0]=4 30356 B12R1.35 CSCCNC(C)C1CCCO1 34a_100025754208_100000212216 [0,1,0,1,0,0|2,0,0]=4 30357 B12R1.35 O=C(CCCCF)C1CCCC1 1458a_100000210718_100000729493 [0,1,0,1,0,0|1,0,1]=4 30358 B12R1.35 O=C(CCCCF)[C@@H]1CCCO1 1458a_100000686382_100000729493 [0,1,0,1,0,0|1,0,1]=4 30359 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000210718_100000210776 [0,1,0,1,0,0|0,0,1]=3 30360 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000695505_100000179811 [0,1,0,1,0,0|0,0,1]=3 30361 B12R1.35 O=C(CCCCO)C1CCCS1 1458a_100012002731_100000210776 [0,1,0,1,0,0|1,0,1]=4 30362 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100000695505_100000690089 [0,1,0,1,0,0|1,0,1]=4 30363 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100011219752_100000210776 [0,1,0,1,0,0|1,0,1]=4 30364 B12R1.35 O=C(CCCCO)[C@@H]1CCCO1 1458a_100000686382_100000210776 [0,1,0,1,0,0|1,0,1]=4 30365 B12R1.35 O=C(COCCO)C1CCCC1 1458a_100000708028_100000179811 [0,1,0,1,0,0|1,0,1]=4 30366 B12R1.35 O=C(NCCCO)C1CCCC1 240690a_100000182051_100000210718 [0,1,0,1,0,0|1,0,1]=4 30367 B12R1.35 O=C(NCCCO)C1CCCC1 527a_100000182051_100000210718 [0,1,0,1,0,0|1,0,1]=4 30368 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [0,1,0,1,0,0|1,0,1]=4 30369 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [0,1,0,1,0,0|0,0,1]=3 30370 B12R1.481 CCC1CC1C(=O)NCCCO 240690a_100000182051_200011661523 [0,1,0,1,0,0|1,0,1]=4 30371 B12R1.481 CCC1CC1C(=O)NCCCO 527a_100000182051_200011661523 [0,1,0,1,0,0|1,0,1]=4 30372 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [0,1,0,1,0,0|1,0,1]=4 30373 B12R1.482 CCCCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_200011218191 [0,1,0,1,0,0|2,0,0]=4 30374 B12R1.482 CCCCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_200011218191 [0,1,0,1,0,0|2,0,0]=4 30375 B12R1.482 CCCCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_200011218191 [0,1,0,1,0,0|2,0,0]=4 30376 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [0,1,0,1,0,0|1,0,1]=4 30377 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [0,1,0,1,0,0|1,0,1]=4 30378 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [0,1,0,1,0,0|0,0,1]=3 30379 B12R1.483 CCCCCC(C)NC1CCC1 2230a_100000749019_200011218191 [0,1,0,1,0,0|2,0,0]=4 30380 B12R1.483 CCCCCC(C)NC1CCC1 270004a_100000211957_100000241760 [0,1,0,1,0,0|2,0,0]=4 30381 B12R1.483 CCCCCC(C)NC1CCC1 34a_100000749019_200011218191 [0,1,0,1,0,0|2,0,0]=4 30382 B12R1.483 CCCCCC(C)OC1CCC1 34a_100000748187_200011218191 [0,1,0,1,0,0|2,0,0]=4 30383 B12R1.483 CCCCCC(C)OC1CCC1 34a_100011215632_100000749161 [0,1,0,1,0,0|2,0,0]=4 30384 B12R1.483 CCCCCC(C)SC1CCC1 62a_200011218191_100000749161 [0,1,0,1,0,0|2,0,0]=4 30385 B12R1.483 CCCCCN(C)CC1CCC1 2230a_100000223495_100000763275 [0,1,0,1,0,0|2,0,0]=4 30386 B12R1.483 CCCCCN(C)CC1CCC1 2230a_200000750244_100000210326 [0,1,0,1,0,0|2,0,0]=4 30387 B12R1.483 CCCCCN(C)CC1CCC1 269982a_100000223495_100000763275 [0,1,0,1,0,0|2,0,0]=4 30388 B12R1.483 CCCCCN(C)CC1CCC1 269982a_200000750244_100000210215 [0,1,0,1,0,0|2,0,0]=4 30389 B12R1.483 CCCCCN(C)CC1CCC1 34a_200000750244_100000718602 [0,1,0,1,0,0|2,0,0]=4 30390 B12R1.483 CCCCCN(C)CC1CCO1 2230a_100000223495_100000103362 [0,1,0,1,0,0|1,0,0]=3 30391 B12R1.483 CCCCCN(C)CC1CCO1 269982a_100000223495_100000103362 [0,1,0,1,0,0|1,0,0]=3 30392 B12R1.483 CCCOCC(=O)CC1CCO1 1458a_100000745993_100000103362 [0,1,0,1,0,0|1,0,1]=4 30393 B12R1.483 CCCSCC(=O)CC1CCO1 1458a_100000217233_100000103362 [0,1,0,1,0,0|1,0,1]=4 30394 B12R1.483 CCOCCC(=O)CC1CCO1 1458a_100000749530_100000103362 [0,1,0,1,0,0|1,0,1]=4 30395 B12R1.483 CCSCCC(=O)CC1CCO1 1458a_100000230768_100000103362 [0,1,0,1,0,0|1,0,1]=4 30396 B12R1.483 CN(CCCCF)CC1CCC1 2230a_200000750244_100000729493 [0,1,0,1,0,0|2,0,0]=4 30397 B12R1.483 CN(CCCCF)CC1CCC1 269982a_200000750244_100000729493 [0,1,0,1,0,0|2,0,0]=4 30398 B12R1.483 CN(CCCCF)CC1CCC1 34a_200000750244_100000729493 [0,1,0,1,0,0|2,0,0]=4 30399 B12R1.483 CN(CCCCO)CC1CCC1 2230a_100000717598_100000763275 [0,1,0,1,0,0|1,0,0]=3 30400 B12R1.483 CN(CCCCO)CC1CCC1 2230a_200000750244_100000210776 [0,1,0,1,0,0|1,0,0]=3 30401 B12R1.483 CN(CCCCO)CC1CCC1 269982a_100000717598_100000763275 [0,1,0,1,0,0|1,0,0]=3 30402 B12R1.483 CN(CCCCO)CC1CCC1 269982a_200000750244_100000210776 [0,1,0,1,0,0|1,0,0]=3 30403 B12R1.483 CN(CCCCO)CC1CCC1 34a_200000750244_100011216708 [0,1,0,1,0,0|1,0,0]=3 30404 B12R1.483 CN(CCCCO)CC1CCO1 2230a_100000717598_100000103362 [0,1,0,1,0,0|2,0,0]=4 30405 B12R1.483 CN(CCCCO)CC1CCO1 269982a_100000717598_100000103362 [0,1,0,1,0,0|2,0,0]=4 30406 B12R1.483 CN(CCCCO)CC1COC1 2230a_100000717598_100010264016 [0,1,0,1,0,0|2,0,0]=4 30407 B12R1.483 CN(CCCCO)CC1COC1 269982a_100000717598_100010264016 [0,1,0,1,0,0|2,0,0]=4 30408 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [0,1,0,1,0,0|1,0,1]=4 30409 B12R1.483 COCCCN(C)CC1CCO1 2230a_100000224831_100000103362 [0,1,0,1,0,0|2,0,0]=4 30410 B12R1.483 COCCCN(C)CC1CCO1 269982a_100000224831_100000103362 [0,1,0,1,0,0|2,0,0]=4 30411 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [0,1,0,1,0,0|1,0,1]=4 30412 B12R1.483 O=C(CC1CCC1)NCCCO 240690a_100000182051_100000763092 [0,1,0,1,0,0|1,0,1]=4 30413 B12R1.483 O=C(CC1CCC1)NCCCO 527a_100000182051_100000763092 [0,1,0,1,0,0|1,0,1]=4 30414 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [0,1,0,1,0,0|1,0,1]=4 30415 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [0,1,0,1,0,0|0,0,1]=3 30416 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [0,1,0,1,0,0|0,0,1]=3 30417 B12R1.483 O=C(CCCCO)CC1CCO1 1458a_100000695505_100000103362 [0,1,0,1,0,0|1,0,1]=4 30418 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000687760_100000210776 [0,1,0,1,0,0|1,0,1]=4 30419 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000695505_100010264016 [0,1,0,1,0,0|1,0,1]=4 30420 B12R1.483 O=C(CCCCO)NC1CCC1 1626a_100000749019_100000695505 [0,1,0,1,0,0|1,0,1]=4 30421 B12R1.483 O=C(COCCO)CC1CCC1 1458a_100000708028_100000763275 [0,1,0,1,0,0|1,0,1]=4 30422 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [0,1,0,1,0,0|1,0,1]=4 30423 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [0,1,0,1,0,0|1,0,1]=4 30424 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [0,1,0,1,0,0|0,0,1]=3 30425 B12R1.484 CCCCCC(C)NCC1CC1 2230a_100000211957_100000742324 [0,1,0,1,0,0|2,0,0]=4 30426 B12R1.484 CCCCCC(C)NCC1CC1 2230a_100000735609_200011218191 [0,1,0,1,0,0|2,0,0]=4 30427 B12R1.484 CCCCCC(C)NCC1CC1 269862a_100000211957_100000741477 [0,1,0,1,0,0|2,0,0]=4 30428 B12R1.484 CCCCCC(C)NCC1CC1 270004a_100000735609_100000211708 [0,1,0,1,0,0|2,0,0]=4 30429 B12R1.484 CCCCCC(C)NCC1CC1 34a_100000735609_200011218191 [0,1,0,1,0,0|2,0,0]=4 30430 B12R1.484 CCCCCC(C)NCC1CO1 2230a_100000211957_100011216344 [0,1,0,1,0,0|1,0,0]=3 30431 B12R1.484 CCCCCC(C)OCC1CC1 34a_100000211283_200011218191 [0,1,0,1,0,0|2,0,0]=4 30432 B12R1.484 CCCCCC(C)OCC1CC1 34a_100011215632_100000742324 [0,1,0,1,0,0|2,0,0]=4 30433 B12R1.484 CCCCCC(C)OCC1CC1 7a_100011215632_100000742324 [0,1,0,1,0,0|2,0,0]=4 30434 B12R1.484 CCCCCC(C)OCC1CO1 34a_100011215632_102125554688 [0,1,0,1,0,0|1,0,0]=3 30435 B12R1.484 CCCCCC(C)OCC1CO1 7a_100011215632_102125554688 [0,1,0,1,0,0|1,0,0]=3 30436 B12R1.484 CCCCCC(C)OCC1CS1 7a_100011215632_100000031435 [0,1,0,1,0,0|1,1,0]=4 30437 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011218191 [0,1,0,1,0,0|1,0,0]=3 30438 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 7a_100011215632_100000745022 [0,1,0,1,0,0|1,0,0]=3 30439 B12R1.484 CCCCCC(C)SCC1CC1 62a_100000756562_200011218191 [0,1,0,1,0,0|2,0,0]=4 30440 B12R1.484 CCCCCC(C)SCC1CC1 62a_200011218191_100000742324 [0,1,0,1,0,0|2,0,0]=4 30441 B12R1.484 CCCCCC(C)SCC1CO1 62a_102125554688_200011218191 [0,1,0,1,0,0|1,0,0]=3 30442 B12R1.484 CCCCCC(C)SCC1CO1 62a_200011218191_102125554688 [0,1,0,1,0,0|1,0,0]=3 30443 B12R1.484 CCCCCC(C)SCC1CS1 62a_100000031435_200011218191 [0,1,0,1,0,0|1,1,0]=4 30444 B12R1.484 CCCCCC(C)SCC1CS1 62a_200011218191_100000031435 [0,1,0,1,0,0|1,1,0]=4 30445 B12R1.484 CCCCCC(C)SC[C@@H]1CO1 62a_100000745022_200011218191 [0,1,0,1,0,0|1,0,0]=3 30446 B12R1.484 CCCCCC(C)SC[C@@H]1CO1 62a_200011218191_100000745022 [0,1,0,1,0,0|1,0,0]=3 30447 B12R1.484 CCCCCN(C)CCC1CC1 2230a_100000223495_100000694398 [0,1,0,1,0,0|2,0,0]=4 30448 B12R1.484 CCCCCN(C)CCC1CC1 269982a_100000223495_100000694398 [0,1,0,1,0,0|2,0,0]=4 30449 B12R1.484 CCCCCN(C)CCC1CO1 2230a_100000223495_100000732470 [0,1,0,1,0,0|1,0,0]=3 30450 B12R1.484 CCCCCN(C)CCC1CO1 269982a_100000223495_100000732470 [0,1,0,1,0,0|1,0,0]=3 30451 B12R1.484 CCCOCC(=O)CCC1CO1 1458a_100000745993_100000732470 [0,1,0,1,0,0|1,0,1]=4 30452 B12R1.484 CCCSCC(=O)CCC1CO1 1458a_100000217233_100000732470 [0,1,0,1,0,0|1,0,1]=4 30453 B12R1.484 CCOCCC(=O)CCC1CO1 1458a_100000749530_100000732470 [0,1,0,1,0,0|1,0,1]=4 30454 B12R1.484 CCSCCC(=O)CCC1CO1 1458a_100000230768_100000732470 [0,1,0,1,0,0|1,0,1]=4 30455 B12R1.484 CN(CCCCO)CCC1CC1 2230a_100000717598_100000694398 [0,1,0,1,0,0|1,0,0]=3 30456 B12R1.484 CN(CCCCO)CCC1CC1 269982a_100000717598_100000694398 [0,1,0,1,0,0|1,0,0]=3 30457 B12R1.484 CN(CCCCO)CCC1CO1 2230a_100000717598_100000732470 [0,1,0,1,0,0|2,0,0]=4 30458 B12R1.484 CN(CCCCO)CCC1CO1 269982a_100000717598_100000732470 [0,1,0,1,0,0|2,0,0]=4 30459 B12R1.484 COCCCC(=O)CCC1CO1 1458a_100000741012_100000732470 [0,1,0,1,0,0|1,0,1]=4 30460 B12R1.484 COCCCC(C)OCC1CO1 34a_200011539412_102125554688 [0,1,0,1,0,0|2,0,0]=4 30461 B12R1.484 COCCCC(C)OCC1CO1 7a_200011539412_102125554688 [0,1,0,1,0,0|2,0,0]=4 30462 B12R1.484 COCCCC(C)OC[C@@H]1CO1 7a_200011539412_100000745022 [0,1,0,1,0,0|2,0,0]=4 30463 B12R1.484 COCCCN(C)CCC1CO1 2230a_100000224831_100000732470 [0,1,0,1,0,0|2,0,0]=4 30464 B12R1.484 COCCCN(C)CCC1CO1 269982a_100000224831_100000732470 [0,1,0,1,0,0|2,0,0]=4 30465 B12R1.484 CSCCCC(=O)CCC1CO1 1458a_100000173376_100000732470 [0,1,0,1,0,0|1,0,1]=4 30466 B12R1.484 NCCCC[C@H](N)COC1CC1 34a_100016993712_100000211595 [0,1,0,1,0,0|2,0,0]=4 30467 B12R1.484 O=C(CCC1CC1)COCCO 1458a_100000708028_100000694398 [0,1,0,1,0,0|1,0,1]=4 30468 B12R1.484 O=C(CCC1CC1)NCCCO 240690a_100000182051_100000756386 [0,1,0,1,0,0|1,0,1]=4 30469 B12R1.484 O=C(CCC1CC1)NCCCO 527a_100000182051_100000756386 [0,1,0,1,0,0|1,0,1]=4 30470 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [0,1,0,1,0,0|1,0,1]=4 30471 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [0,1,0,1,0,0|0,0,1]=3 30472 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [0,1,0,1,0,0|0,0,1]=3 30473 B12R1.484 O=C(CCCCO)CCC1CO1 1458a_100000695505_100000732470 [0,1,0,1,0,0|1,0,1]=4 30474 B12R1.484 O=C(CCCCO)NCC1CC1 1626a_100000735609_100000695505 [0,1,0,1,0,0|1,0,1]=4 30475 B12R1.485 CCCCCC(C)N1CCC1C 269982a_100000755817_200011218191 [0,1,0,1,0,0|2,0,0]=4 30476 B12R1.485 CCCCCC(C)N1CCC1C 34a_100000755817_200011218191 [0,1,0,1,0,0|2,0,0]=4 30477 B12R1.1631 CC1CCCC(C1NCCF)C 269862a_100000724931_100000211995 [0,1,0,1,0,0|2,0,0]=4 30478 B12R1.1631 CC1CCCC(C1NCCO)C 269862a_100000210304_100000211995 [0,1,0,1,0,0|1,0,0]=3 30479 B12R1.1631 CC1CCCC(C1OCCF)C 34a_100011218088_100011217306 [0,1,0,1,0,0|2,0,0]=4 30480 B12R1.1631 CC1CCCC(C1OCCF)C 7a_100011218088_100011217306 [0,1,0,1,0,0|2,0,0]=4 30481 B12R1.1631 CC1CCCC(C1OCCO)C 34a_100011218088_100000211926 [0,1,0,1,0,0|1,0,0]=3 30482 B12R1.1631 CC1CCCC(C1OCCO)C 7a_100011218088_100000211926 [0,1,0,1,0,0|1,0,0]=3 30483 B12R1.1631 CC1CCCC(N1CCCF)C 2230a_100000210447_100011934791 [0,1,0,1,0,0|2,0,0]=4 30484 B12R1.1631 CC1CCCC(N1CCCF)C 269982a_100000210447_100011934791 [0,1,0,1,0,0|2,0,0]=4 30485 B12R1.1631 CC1CCCC(N1CCCF)C 34a_100000210447_100011934791 [0,1,0,1,0,0|2,0,0]=4 30486 B12R1.1631 CC1CCCC(N1CCCO)C 2230a_100000210447_100000230001 [0,1,0,1,0,0|1,0,0]=3 30487 B12R1.1631 CC1CCCC(N1CCCO)C 269982a_100000210447_100011215043 [0,1,0,1,0,0|1,0,0]=3 30488 B12R1.1631 CC1CCCC(N1CCCO)C 34a_100000210447_100000230001 [0,1,0,1,0,0|1,0,0]=3 30489 B12R1.1631 CCCCN1C(CCCC1C)C 2230a_100000210447_100000210211 [0,1,0,1,0,0|2,0,0]=4 30490 B12R1.1631 CCCCN1C(CCCC1C)C 269982a_100000210447_100000210211 [0,1,0,1,0,0|2,0,0]=4 30491 B12R1.1631 CCCCN1C(CCCC1C)C 34a_100000210447_100000210210 [0,1,0,1,0,0|2,0,0]=4 30492 B12R1.1631 CCCNC1C(CCCC1C)C 269862a_100020643023_100000211995 [0,1,0,1,0,0|2,0,0]=4 30493 B12R1.1631 CCCOC1C(CCCC1C)C 34a_100011218088_100000210303 [0,1,0,1,0,0|2,0,0]=4 30494 B12R1.1631 CCCOC1C(CCCC1C)C 7a_100011218088_100000210303 [0,1,0,1,0,0|2,0,0]=4 30495 B12R1.1631 C[C@@H]1COC[C@@H](N1CCCO)C 2230a_100103153222_100000230001 [0,1,0,1,0,0|2,0,0]=4 30496 B12R1.1631 C[C@@H]1COC[C@@H](N1CCCO)C 269982a_100103153222_100011215043 [0,1,0,1,0,0|2,0,0]=4 30497 B12R1.1631 C[C@@H]1COC[C@@H](N1CCCO)C 34a_100103153222_100000230001 [0,1,0,1,0,0|2,0,0]=4 30498 B12R1.1997 CC1(CCCCC1)CNCCF 2230a_100000706052_100011217306 [0,1,0,1,0,0|2,0,0]=4 30499 B12R1.1997 CC1(CCCCC1)CNCCF 269862a_100000724931_100011935227 [0,1,0,1,0,0|2,0,0]=4 30500 B12R1.1997 CC1(CCCCC1)CNCCF 34a_100000706052_100011217306 [0,1,0,1,0,0|2,0,0]=4 30501 B12R1.1997 CC1(CCCCC1)CNCCO 2230a_100000706052_100000211926 [0,1,0,1,0,0|1,0,0]=3 30502 B12R1.1997 CC1(CCCCC1)CNCCO 269862a_100000210304_100011935227 [0,1,0,1,0,0|1,0,0]=3 30503 B12R1.1997 CC1(CCCCC1)CNCCO 34a_100000706052_100000211926 [0,1,0,1,0,0|1,0,0]=3 30504 B12R1.1997 CC1(CCCCC1)COCCF 34a_100000688186_100011217306 [0,1,0,1,0,0|2,0,0]=4 30505 B12R1.1997 CC1(CCCCC1)COCCF 7a_100000688186_100011217306 [0,1,0,1,0,0|2,0,0]=4 30506 B12R1.1997 CC1(CCCCC1)COCCO 34a_100000688186_100000211926 [0,1,0,1,0,0|1,0,0]=3 30507 B12R1.1997 CC1(CCCCC1)COCCO 7a_100000688186_100000211926 [0,1,0,1,0,0|1,0,0]=3 30508 B12R1.1997 CC1(CCCCC1)NCCCF 2230a_100000741114_100011934791 [0,1,0,1,0,0|2,0,0]=4 30509 B12R1.1997 CC1(CCCCC1)NCCCF 34a_100000741114_100011934791 [0,1,0,1,0,0|2,0,0]=4 30510 B12R1.1997 CC1(CCCCC1)NCCCO 2230a_100000741114_100000230001 [0,1,0,1,0,0|1,0,0]=3 30511 B12R1.1997 CC1(CCCCC1)NCCCO 34a_100000741114_100000230001 [0,1,0,1,0,0|1,0,0]=3 30512 B12R1.1997 CC1(CCCCC1)OCCCF 34a_100011215885_100011934791 [0,1,0,1,0,0|2,0,0]=4 30513 B12R1.1997 CC1(CCCCC1)OCCCF 7a_100011215885_100011934791 [0,1,0,1,0,0|2,0,0]=4 30514 B12R1.1997 CC1(CCCCC1)OCCCO 34a_100011215885_100000230001 [0,1,0,1,0,0|1,0,0]=3 30515 B12R1.1997 CC1(CCCCC1)OCCCO 7a_100011215885_100011215043 [0,1,0,1,0,0|1,0,0]=3 30516 B12R1.1997 CC1(CCOCC1)CNCCO 2230a_100000695556_100000211926 [0,1,0,1,0,0|2,0,0]=4 30517 B12R1.1997 CC1(CCOCC1)CNCCO 269862a_100000210304_100000701351 [0,1,0,1,0,0|2,0,0]=4 30518 B12R1.1997 CC1(CCOCC1)CNCCO 34a_100000695556_100000211926 [0,1,0,1,0,0|2,0,0]=4 30519 B12R1.1997 CC1(CCOCC1)COCCO 34a_100000704393_100000211926 [0,1,0,1,0,0|2,0,0]=4 30520 B12R1.1997 CC1(CCOCC1)COCCO 7a_100000704393_100000211926 [0,1,0,1,0,0|2,0,0]=4 30521 B12R1.1997 CC1(CCOCC1)NCCCO 2230a_100000692449_100000230001 [0,1,0,1,0,0|2,0,0]=4 30522 B12R1.1997 CC1(CCOCC1)NCCCO 34a_100000692449_100000230001 [0,1,0,1,0,0|2,0,0]=4 30523 B12R1.1997 CC1(CCOCC1)OCCCO 34a_100011827762_100000230001 [0,1,0,1,0,0|2,0,0]=4 30524 B12R1.1997 CC1(CCOCC1)OCCCO 7a_100011827762_100011215043 [0,1,0,1,0,0|2,0,0]=4 30525 B12R1.1997 CC1(CCSCC1)OCCCO 34a_200011004327_100000230001 [0,1,0,1,0,0|2,0,0]=4 30526 B12R1.1997 CC1(CCSCC1)OCCCO 7a_200011004327_100011215043 [0,1,0,1,0,0|2,0,0]=4 30527 B12R1.1997 CCCCNC1(CCCCC1)C 2230a_100000741114_100000210211 [0,1,0,1,0,0|2,0,0]=4 30528 B12R1.1997 CCCCNC1(CCCCC1)C 34a_100000741114_100000210210 [0,1,0,1,0,0|2,0,0]=4 30529 B12R1.1997 CCCCOC1(CCCCC1)C 34a_100011215885_100000210210 [0,1,0,1,0,0|2,0,0]=4 30530 B12R1.1997 CCCCOC1(CCCCC1)C 7a_100011215885_100000210211 [0,1,0,1,0,0|2,0,0]=4 30531 B12R1.1997 CCCNCC1(CCCCC1)C 2230a_100000706052_100000210303 [0,1,0,1,0,0|2,0,0]=4 30532 B12R1.1997 CCCNCC1(CCCCC1)C 269862a_100020643023_100011935227 [0,1,0,1,0,0|2,0,0]=4 30533 B12R1.1997 CCCNCC1(CCCCC1)C 34a_100000706052_100000210303 [0,1,0,1,0,0|2,0,0]=4 30534 B12R1.1997 CCCNCC1(CCCCC1)O 2230a_100000748649_100000210303 [0,1,0,1,0,0|2,0,0]=4 30535 B12R1.1997 CCCNCC1(CCCCC1)O 34a_100000748649_100000210303 [0,1,0,1,0,0|2,0,0]=4 30536 B12R1.1997 CCCOCC1(CCCCC1)C 34a_100000688186_100000210303 [0,1,0,1,0,0|2,0,0]=4 30537 B12R1.1997 CCCOCC1(CCCCC1)C 7a_100000688186_100000210303 [0,1,0,1,0,0|2,0,0]=4 30538 B12R1.1997 CCCOCC1(CCCCC1)F 34a_100000090305_100000210303 [0,1,0,1,0,0|2,0,0]=4 30539 B12R1.1997 CCCOCC1(CCCCC1)F 7a_100000090305_100000210303 [0,1,0,1,0,0|2,0,0]=4 30540 B12R1.1997 CCCOCC1(CCCCC1)N 34a_100000740034_100000210303 [0,1,0,1,0,0|2,0,0]=4 30541 B12R1.1997 CCNCCC1(CCCCC1)O 2230a_100102740465_100000210202 [0,1,0,1,0,0|2,0,0]=4 30542 B12R1.1997 CCNCCC1(CCCCC1)O 34a_100102740465_100000210202 [0,1,0,1,0,0|2,0,0]=4 30543 B12R1.1997 FCCOCC1(CCCCC1)F 34a_100000090305_100011217306 [0,1,0,1,0,0|2,0,0]=4 30544 B12R1.1997 FCCOCC1(CCCCC1)F 7a_100000090305_100011217306 [0,1,0,1,0,0|2,0,0]=4 30545 B12R1.1997 NC1(CCCCC1)COCCF 34a_100000740034_100011217306 [0,1,0,1,0,0|2,0,0]=4 30546 B12R1.1997 NC1(CCCCC1)COCCO 34a_100000740034_100000211926 [0,1,0,1,0,0|1,0,0]=3 30547 B12R1.1997 NC1(CCOCC1)COCCO 34a_100000751404_100000211926 [0,1,0,1,0,0|2,0,0]=4 30548 B12R1.1997 OC1(CCCCC1)CCNCF 34a_100102740465_100015361967 [0,1,0,1,0,0|2,0,0]=4 30549 B12R1.1997 OC1(CCCCC1)CNCCF 2230a_100000748649_100011217306 [0,1,0,1,0,0|2,0,0]=4 30550 B12R1.1997 OC1(CCCCC1)CNCCF 34a_100000748649_100011217306 [0,1,0,1,0,0|2,0,0]=4 30551 B12R1.1997 OCCNCC1(CCCCC1)O 2230a_100000748649_100000211926 [0,1,0,1,0,0|1,0,0]=3 30552 B12R1.1997 OCCNCC1(CCCCC1)O 34a_100000748649_100000211926 [0,1,0,1,0,0|1,0,0]=3 30553 B12R1.1997 OCCNCC1(CCOCC1)F 2230a_100016991512_100000211926 [0,1,0,1,0,0|2,0,0]=4 30554 B12R1.1997 OCCNCC1(CCOCC1)F 34a_100016991512_100000211926 [0,1,0,1,0,0|2,0,0]=4 30555 B12R1.1997 OCCNCC1(CCOCC1)O 2230a_100000704115_100000211926 [0,1,0,1,0,0|2,0,0]=4 30556 B12R1.1997 OCCNCC1(CCOCC1)O 34a_100000704115_100000211926 [0,1,0,1,0,0|2,0,0]=4 30557 B12R1.1997 OCCNCC1(CCSCC1)O 2230a_100000758141_100000211926 [0,1,0,1,0,0|2,0,0]=4 30558 B12R1.1997 OCCOCC1(CCCCC1)F 34a_100000090305_100000211926 [0,1,0,1,0,0|1,0,0]=3 30559 B12R1.1997 OCCOCC1(CCCCC1)F 7a_100000090305_100000211926 [0,1,0,1,0,0|1,0,0]=3 30560 B12R1.1997 OCCOCC1(CCNCC1)F 34a_100016990393_100000211926 [0,1,0,1,0,0|2,0,0]=4 30561 B12R1.3204 CCCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210210 [0,1,0,1,0,0|2,0,0]=4 30562 B12R1.3204 C[C@]1(CCC[C@H]1N)OCCCO 34a_100015977457_100000230001 [0,1,0,1,0,0|2,0,0]=4 30563 B12R1.75 C=C(C)CN1CCCCC1CO 2230a_100000210821_100000748629 [0,1,0,1,0,0|1,0,1]=4 30564 B12R1.75 C=C(C)CN1CCCCC1CO 269982a_100000210821_100000748629 [0,1,0,1,0,0|1,0,1]=4 30565 B12R1.75 C=C(C)CN1CCCCC1CO 34a_100000210821_100000748629 [0,1,0,1,0,0|1,0,1]=4 30566 B12R1.75 CC(C)CN1CCCCC1CO 2230a_100000210821_100000210760 [0,1,0,1,0,0|1,0,0]=3 30567 B12R1.75 CC(C)CN1CCCCC1CO 269982a_100000210821_100000210624 [0,1,0,1,0,0|1,0,0]=3 30568 B12R1.75 CC(C)CN1CCCCC1CO 34a_100000210821_100000210624 [0,1,0,1,0,0|1,0,0]=3 30569 B12R1.75 CC(C)CN1CCOC[C@H]1CO 2230a_100000717676_100000210760 [0,1,0,1,0,0|2,0,0]=4 30570 B12R1.75 CC(C)CN1CCOC[C@H]1CO 269982a_100000717676_100000210624 [0,1,0,1,0,0|2,0,0]=4 30571 B12R1.75 CC(C)CN1CCOC[C@H]1CO 270004a_100000717676_100000210432 [0,1,0,1,0,0|2,0,0]=4 30572 B12R1.75 CC(C)CN1CCOC[C@H]1CO 34a_100000717676_100000210624 [0,1,0,1,0,0|2,0,0]=4 30573 B12R1.75 CC(C)NC1CCOCC1CO 2230a_214813039666_100000210206 [0,1,0,1,0,0|2,0,0]=4 30574 B12R1.75 CC(C)NC1CCOCC1CO 34a_214813039666_100000210206 [0,1,0,1,0,0|2,0,0]=4 30575 B12R1.75 CC(C)OC1CCCCC1CN 34a_100011216029_100000210206 [0,1,0,1,0,0|2,0,0]=4 30576 B12R1.75 CC(O)CN1CCCCC1CO 2230a_100000210821_100011218427 [0,1,0,1,0,0|1,0,0]=3 30577 B12R1.75 CC(O)CN1CCCCC1CO 269982a_100000210821_100011218427 [0,1,0,1,0,0|1,0,0]=3 30578 B12R1.75 CC(O)CN1CCCCC1CO 34a_100000210821_100011218427 [0,1,0,1,0,0|1,0,0]=3 30579 B12R1.75 CC(O)CN1CCOC[C@H]1CO 2230a_100000717676_100011218427 [0,1,0,1,0,0|2,0,0]=4 30580 B12R1.75 CC(O)CN1CCOC[C@H]1CO 269982a_100000717676_100011218427 [0,1,0,1,0,0|2,0,0]=4 30581 B12R1.75 CC(O)CN1CCOC[C@H]1CO 34a_100000717676_100011218427 [0,1,0,1,0,0|2,0,0]=4 30582 B12R1.75 CCC1CCCCC1OC(C)C 34a_100000210738_100000210206 [0,1,0,1,0,0|2,0,0]=4 30583 B12R1.75 CCC1CCCCC1OC(C)C 7a_100000210738_100000210206 [0,1,0,1,0,0|2,0,0]=4 30584 B12R1.75 CCC1CCCCN1CC(C)C 2230a_100000210034_100000210760 [0,1,0,1,0,0|2,0,0]=4 30585 B12R1.75 CCC1CCCCN1CC(C)C 269982a_100000210034_100000210624 [0,1,0,1,0,0|2,0,0]=4 30586 B12R1.75 CCC1CCCCN1CC(C)C 270004a_100000210034_100000210432 [0,1,0,1,0,0|2,0,0]=4 30587 B12R1.75 CCC1CCCCN1CC(C)C 34a_100000210034_100000210624 [0,1,0,1,0,0|2,0,0]=4 30588 B12R1.75 CCC1CCCCN1CC(C)O 2230a_100000210034_100011218427 [0,1,0,1,0,0|1,0,0]=3 30589 B12R1.75 CCC1CCCCN1CC(C)O 269982a_100000210034_100011218427 [0,1,0,1,0,0|1,0,0]=3 30590 B12R1.75 CCC1CCCCN1CC(C)O 34a_100000210034_100011218427 [0,1,0,1,0,0|1,0,0]=3 30591 B12R1.75 CCC1CCCCN1CC(F)F 2230a_100000210034_100011934356 [0,1,0,1,0,0|2,0,0]=4 30592 B12R1.75 CCC1CCCCN1CC(F)F 269982a_100000210034_100011934356 [0,1,0,1,0,0|2,0,0]=4 30593 B12R1.75 CCC1CCCCN1CC(F)F 34a_100000210034_100011934356 [0,1,0,1,0,0|2,0,0]=4 30594 B12R1.75 CCC1CCCCN1C[C@@H](C)O 2230a_100000210034_100009817552 [0,1,0,1,0,0|1,0,0]=3 30595 B12R1.75 CCC1CCCCN1C[C@@H](C)O 269982a_100000210034_100009817552 [0,1,0,1,0,0|1,0,0]=3 30596 B12R1.75 CCC1CCCCN1C[C@@H](C)O 34a_100000210034_100009817552 [0,1,0,1,0,0|1,0,0]=3 30597 B12R1.75 CC[C@H]1COCCN1CC(C)O 2230a_100016988097_100011218427 [0,1,0,1,0,0|2,0,0]=4 30598 B12R1.75 CC[C@H]1COCCN1CC(C)O 269982a_100016988097_100011218427 [0,1,0,1,0,0|2,0,0]=4 30599 B12R1.75 CC[C@H]1COCCN1CC(C)O 34a_100016988097_100011218427 [0,1,0,1,0,0|2,0,0]=4 30600 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 2230a_100016988097_100009817552 [0,1,0,1,0,0|2,0,0]=4 30601 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 269982a_100016988097_100009817552 [0,1,0,1,0,0|2,0,0]=4 30602 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 34a_100016988097_100009817552 [0,1,0,1,0,0|2,0,0]=4 30603 B12R1.75 C[C@@H](O)CN1CCCCC1CO 2230a_100000210821_100009817552 [0,1,0,1,0,0|1,0,0]=3 30604 B12R1.75 C[C@@H](O)CN1CCCCC1CO 269982a_100000210821_100009817552 [0,1,0,1,0,0|1,0,0]=3 30605 B12R1.75 C[C@@H](O)CN1CCCCC1CO 34a_100000210821_100009817552 [0,1,0,1,0,0|1,0,0]=3 30606 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 2230a_100000717676_100009817552 [0,1,0,1,0,0|2,0,0]=4 30607 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 269982a_100000717676_100009817552 [0,1,0,1,0,0|2,0,0]=4 30608 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 34a_100000717676_100009817552 [0,1,0,1,0,0|2,0,0]=4 30609 B12R1.75 OCC1CCCCN1CC(F)F 2230a_100000210821_100011934356 [0,1,0,1,0,0|2,0,0]=4 30610 B12R1.75 OCC1CCCCN1CC(F)F 269982a_100000210821_100011934356 [0,1,0,1,0,0|2,0,0]=4 30611 B12R1.75 OCC1CCCCN1CC(F)F 34a_100000210821_100011934356 [0,1,0,1,0,0|2,0,0]=4 30612 B12R1.81 C=C(C)CCN1CCC[C@@H]1CO 2230a_100000745186_100000730704 [0,1,0,1,0,0|1,0,1]=4 30613 B12R1.81 C=C(C)CCN1CCC[C@@H]1CO 269982a_100000745186_100000730704 [0,1,0,1,0,0|1,0,1]=4 30614 B12R1.81 C=C(C)CCN1CCC[C@@H]1CO 34a_100000745186_100000730704 [0,1,0,1,0,0|1,0,1]=4 30615 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,1,0,1,0,0|1,0,1]=4 30616 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 2230a_100000745186_100000210312 [0,1,0,1,0,0|1,0,0]=3 30617 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 269982a_100000745186_100000210312 [0,1,0,1,0,0|1,0,0]=3 30618 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 34a_100000745186_100000210312 [0,1,0,1,0,0|1,0,0]=3 30619 B12R1.81 CC(C)OCN1CCC[C@@H]1CO 2230a_100000745186_100000709892 [0,1,0,1,0,0|2,0,0]=4 30620 B12R1.81 CC(C)OCN1CCC[C@@H]1CO 269982a_100000745186_100000709892 [0,1,0,1,0,0|2,0,0]=4 30621 B12R1.81 CC(C)OCN1CCC[C@@H]1CO 34a_100000745186_100000709892 [0,1,0,1,0,0|2,0,0]=4 30622 B12R1.81 CC(O)CCN1CCC[C@@H]1CO 2230a_100000745186_100012276601 [0,1,0,1,0,0|1,0,0]=3 30623 B12R1.81 CC(O)CCN1CCC[C@@H]1CO 269982a_100000745186_100012276601 [0,1,0,1,0,0|1,0,0]=3 30624 B12R1.81 CC(O)CCN1CCC[C@@H]1CO 34a_100000745186_100012276601 [0,1,0,1,0,0|1,0,0]=3 30625 B12R1.81 CCC1CCCC1NCC(C)C 269862a_100000210953_100000749056 [0,1,0,1,0,0|2,0,0]=4 30626 B12R1.81 CCC1CCCC1NCC(C)C 270004a_100000210953_100000749056 [0,1,0,1,0,0|2,0,0]=4 30627 B12R1.81 CCC1CCCC1NCC(C)O 269862a_100000210904_100000749056 [0,1,0,1,0,0|1,0,0]=3 30628 B12R1.81 CCC1CCCC1NCC(C)O 270004a_100000210904_100000749056 [0,1,0,1,0,0|1,0,0]=3 30629 B12R1.81 CCC1CCCC1NCC(F)F 270004a_100000765723_100000749056 [0,1,0,1,0,0|2,0,0]=4 30630 B12R1.81 CCC1CCCN1CCC(C)C 2230a_100000754278_100000210312 [0,1,0,1,0,0|2,0,0]=4 30631 B12R1.81 CCC1CCCN1CCC(C)C 269982a_100000754278_100000210312 [0,1,0,1,0,0|2,0,0]=4 30632 B12R1.81 CCC1CCCN1CCC(C)C 34a_100000754278_100000210312 [0,1,0,1,0,0|2,0,0]=4 30633 B12R1.81 CCC1CCCN1CCC(C)O 2230a_100000754278_100012276601 [0,1,0,1,0,0|1,0,0]=3 30634 B12R1.81 CCC1CCCN1CCC(C)O 269982a_100000754278_100012276601 [0,1,0,1,0,0|1,0,0]=3 30635 B12R1.81 CCC1CCCN1CCC(C)O 34a_100000754278_100012276601 [0,1,0,1,0,0|1,0,0]=3 30636 B12R1.81 CN(C)CCN1CCC[C@@H]1CO 269982a_100000745186_100000755713 [0,1,0,1,0,0|2,0,0]=4 30637 B12R1.125 C=C(C)COC1CCCCC1O 34a_100000210245_100000038908 [0,1,0,1,0,0|1,0,1]=4 30638 B12R1.125 C=C(C)CSC1CCCCC1O 62a_100000038908_100000211660 [0,1,0,1,0,0|1,0,1]=4 30639 B12R1.125 C=C(C)CSC1CCCCC1O 62a_100000748629_100000038908 [0,1,0,1,0,0|1,0,1]=4 30640 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,1,0,1,0,0|1,0,1]=4 30641 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,1,0,0|1,0,1]=4 30642 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,1,0,0|1,0,1]=4 30643 B12R1.125 CC(Br)COC1CCCCC1F 34a_100012180447_100015423560 [0,1,0,1,0,0|2,0,0]=4 30644 B12R1.125 CC(Br)COC1CCCCC1O 34a_100012180447_100000038908 [0,1,0,1,0,0|1,0,0]=3 30645 B12R1.125 CC(C)CCN1CCCCC1C 2230a_100000211376_100000210312 [0,1,0,1,0,0|2,0,0]=4 30646 B12R1.125 CC(C)CCN1CCCCC1C 269982a_100000211376_100000210312 [0,1,0,1,0,0|2,0,0]=4 30647 B12R1.125 CC(C)CCN1CCCCC1C 34a_100000211376_100000210312 [0,1,0,1,0,0|2,0,0]=4 30648 B12R1.125 CC(C)CNC1CCCCC1C 2230a_100000211402_100000210760 [0,1,0,1,0,0|2,0,0]=4 30649 B12R1.125 CC(C)CNC1CCCCC1C 269862a_100000210953_100000210921 [0,1,0,1,0,0|2,0,0]=4 30650 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000210953_100000210921 [0,1,0,1,0,0|2,0,0]=4 30651 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000211402_100000210432 [0,1,0,1,0,0|2,0,0]=4 30652 B12R1.125 CC(C)CNC1CCCCC1C 34a_100000211402_100000210624 [0,1,0,1,0,0|2,0,0]=4 30653 B12R1.125 CC(C)CNC1CCCCC1F 34a_100000210953_100015423560 [0,1,0,1,0,0|2,0,0]=4 30654 B12R1.125 CC(C)CNC1CCCCC1O 34a_100000210953_100000038908 [0,1,0,1,0,0|1,0,0]=3 30655 B12R1.125 CC(C)CN[C@@H]1CCCC[C@@H]1O 270004a_100015191688_100000210432 [0,1,0,1,0,0|1,0,0]=3 30656 B12R1.125 CC(C)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210760 [0,1,0,1,0,0|2,0,0]=4 30657 B12R1.125 CC(C)CN[C@@H]1CCCC[C@H]1F 270004a_100015195156_100000210432 [0,1,0,1,0,0|2,0,0]=4 30658 B12R1.125 CC(C)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210624 [0,1,0,1,0,0|2,0,0]=4 30659 B12R1.125 CC(C)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210760 [0,1,0,1,0,0|2,0,0]=4 30660 B12R1.125 CC(C)CN[C@@H]1CCOC[C@@H]1O 270004a_100016994285_100000210432 [0,1,0,1,0,0|2,0,0]=4 30661 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210760 [0,1,0,1,0,0|2,0,0]=4 30662 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 270004a_100015739063_100000210432 [0,1,0,1,0,0|2,0,0]=4 30663 B12R1.125 CC(C)COC1CCCCC1C 34a_100000211207_100000210624 [0,1,0,1,0,0|2,0,0]=4 30664 B12R1.125 CC(C)COC1CCCCC1C 7a_100000211207_100000210760 [0,1,0,1,0,0|2,0,0]=4 30665 B12R1.125 CC(C)COC1CCCCC1Cl 34a_100000038908_100000210624 [0,1,0,1,0,0|2,0,0]=4 30666 B12R1.125 CC(C)COC1CCCCC1Cl 7a_100000038908_100000210760 [0,1,0,1,0,0|2,0,0]=4 30667 B12R1.125 CC(C)COC1CCCCC1F 34a_100000210257_100015423560 [0,1,0,1,0,0|2,0,0]=4 30668 B12R1.125 CC(C)COC1CCCCC1O 34a_100000210257_100000038908 [0,1,0,1,0,0|1,0,0]=3 30669 B12R1.125 CC(C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210624 [0,1,0,1,0,0|2,0,0]=4 30670 B12R1.125 CC(C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210760 [0,1,0,1,0,0|2,0,0]=4 30671 B12R1.125 CC(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210624 [0,1,0,1,0,0|2,0,0]=4 30672 B12R1.125 CC(C)CSC1CCCCC1F 62a_100000210624_100015423560 [0,1,0,1,0,0|2,0,0]=4 30673 B12R1.125 CC(C)CSC1CCCCC1F 62a_100015423560_100000210760 [0,1,0,1,0,0|2,0,0]=4 30674 B12R1.125 CC(C)CSC1CCCCC1O 62a_100000038908_100000210760 [0,1,0,1,0,0|1,0,0]=3 30675 B12R1.125 CC(C)CSC1CCCCC1O 62a_100000210624_100000038908 [0,1,0,1,0,0|1,0,0]=3 30676 B12R1.125 CC(C)NCC1CCCCC1O 34a_100011216029_100000210206 [0,1,0,1,0,0|1,0,0]=3 30677 B12R1.125 CC(F)COC1CCCCC1F 34a_100015925927_100015423560 [0,1,0,1,0,0|2,0,0]=4 30678 B12R1.125 CC(F)COC1CCCCC1O 34a_100015925927_100000038908 [0,1,0,1,0,0|1,0,0]=3 30679 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,1,0,1,0,0|1,0,0]=3 30680 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,1,0,1,0,0|1,0,0]=3 30681 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,1,0,1,0,0|1,0,0]=3 30682 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 2230a_100009815349_100012276601 [0,1,0,1,0,0|2,0,0]=4 30683 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 269982a_100009815349_100012276601 [0,1,0,1,0,0|2,0,0]=4 30684 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 34a_100009815349_100012276601 [0,1,0,1,0,0|2,0,0]=4 30685 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,1,0,1,0,0|1,0,0]=3 30686 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,1,0,1,0,0|1,0,0]=3 30687 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,1,0,1,0,0|1,0,0]=3 30688 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,1,0,1,0,0|1,0,0]=3 30689 B12R1.125 CC(O)CNC1CCCCC1F 34a_100000210904_100015423560 [0,1,0,1,0,0|2,0,0]=4 30690 B12R1.125 CC(O)CNC1CCCCC1O 34a_100000210904_100000038908 [0,1,0,1,0,0|1,0,0]=3 30691 B12R1.125 CC(O)CNC1CCNCC1C 270004a_100000210904_100000703950 [0,1,0,1,0,0|2,0,0]=4 30692 B12R1.125 CC(O)CNC1CCOCC1C 270004a_100000210904_100000755695 [0,1,0,1,0,0|2,0,0]=4 30693 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218427 [0,1,0,1,0,0|2,0,0]=4 30694 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218427 [0,1,0,1,0,0|2,0,0]=4 30695 B12R1.125 CC(O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011218427 [0,1,0,1,0,0|2,0,0]=4 30696 B12R1.125 CC(O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011218427 [0,1,0,1,0,0|2,0,0]=4 30697 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,1,0,1,0,0|1,0,0]=3 30698 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,1,0,1,0,0|1,0,0]=3 30699 B12R1.125 CC(O)COC1CCCCC1Cl 34a_100000038908_100011218427 [0,1,0,1,0,0|2,0,0]=4 30700 B12R1.125 CC(O)COC1CCCCC1Cl 7a_100000038908_100011218427 [0,1,0,1,0,0|2,0,0]=4 30701 B12R1.125 CC(O)COC1CCNCC1C 34a_100011998114_100011218427 [0,1,0,1,0,0|2,0,0]=4 30702 B12R1.125 CC(O)COC1CNCCC1C 34a_100000696640_100011218427 [0,1,0,1,0,0|2,0,0]=4 30703 B12R1.125 CC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218427 [0,1,0,1,0,0|2,0,0]=4 30704 B12R1.125 CC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011218427 [0,1,0,1,0,0|2,0,0]=4 30705 B12R1.125 CC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218427 [0,1,0,1,0,0|2,0,0]=4 30706 B12R1.125 CC(O)CSC1CCCCC1F 62a_100011218427_100015423560 [0,1,0,1,0,0|2,0,0]=4 30707 B12R1.125 CC(O)CSC1CCCCC1F 62a_100015423560_100011218427 [0,1,0,1,0,0|2,0,0]=4 30708 B12R1.125 CC(O)CSC1CCCCC1O 62a_100000038908_100011218427 [0,1,0,1,0,0|1,0,0]=3 30709 B12R1.125 CC(O)CSC1CCCCC1O 62a_100011218427_100000038908 [0,1,0,1,0,0|1,0,0]=3 30710 B12R1.125 CC1CCCCC1NCC(F)F 2230a_100000211402_100011934356 [0,1,0,1,0,0|2,0,0]=4 30711 B12R1.125 CC1CCCCC1NCC(F)F 270004a_100000765723_100000210921 [0,1,0,1,0,0|2,0,0]=4 30712 B12R1.125 CC1CCCCC1NCC(F)F 34a_100000211402_100011934356 [0,1,0,1,0,0|2,0,0]=4 30713 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,1,0,1,0,0|1,0,0]=3 30714 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,1,0,1,0,0|1,0,0]=3 30715 B12R1.125 CC1CCCCC1OCC(F)F 34a_100000211207_100011934356 [0,1,0,1,0,0|2,0,0]=4 30716 B12R1.125 CC1CCCCC1OCC(F)F 7a_100000211207_100011934356 [0,1,0,1,0,0|2,0,0]=4 30717 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,1,0,1,0,0|1,0,0]=3 30718 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,1,0,1,0,0|1,0,0]=3 30719 B12R1.125 CC1CCNCC1OC[C@@H](C)O 34a_100000696640_100009817552 [0,1,0,1,0,0|2,0,0]=4 30720 B12R1.125 CC1CNCCC1OC[C@@H](C)O 34a_100011998114_100009817552 [0,1,0,1,0,0|2,0,0]=4 30721 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,1,0,1,0,0|1,0,1]=4 30722 B12R1.125 C[C@@H](Cl)COC1CCCCC1F 34a_100016084084_100015423560 [0,1,0,1,0,0|2,0,0]=4 30723 B12R1.125 C[C@@H](Cl)COC1CCCCC1O 34a_100016084084_100000038908 [0,1,0,1,0,0|1,0,0]=3 30724 B12R1.125 C[C@@H](N)COC1CCCCC1F 34a_100000737577_100015423560 [0,1,0,1,0,0|2,0,0]=4 30725 B12R1.125 C[C@@H](N)COC1CCCCC1O 34a_100000737577_100000038908 [0,1,0,1,0,0|1,0,0]=3 30726 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817552 [0,1,0,1,0,0|2,0,0]=4 30727 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817552 [0,1,0,1,0,0|2,0,0]=4 30728 B12R1.125 C[C@@H](O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100009817552 [0,1,0,1,0,0|2,0,0]=4 30729 B12R1.125 C[C@@H](O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100009817552 [0,1,0,1,0,0|2,0,0]=4 30730 B12R1.125 C[C@@H](O)COC1CCCCC1Cl 34a_100000038908_100009817552 [0,1,0,1,0,0|2,0,0]=4 30731 B12R1.125 C[C@@H](O)COC1CCCCC1Cl 7a_100000038908_100009817552 [0,1,0,1,0,0|2,0,0]=4 30732 B12R1.125 C[C@@H](O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817552 [0,1,0,1,0,0|2,0,0]=4 30733 B12R1.125 C[C@@H](O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009817552 [0,1,0,1,0,0|2,0,0]=4 30734 B12R1.125 C[C@@H](O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817552 [0,1,0,1,0,0|2,0,0]=4 30735 B12R1.125 C[C@@H](O)CSC1CCCCC1F 62a_100009817552_100015423560 [0,1,0,1,0,0|2,0,0]=4 30736 B12R1.125 C[C@@H](O)CSC1CCCCC1F 62a_100015423560_100009817552 [0,1,0,1,0,0|2,0,0]=4 30737 B12R1.125 C[C@@H](O)CSC1CCCCC1O 62a_100000038908_100009817552 [0,1,0,1,0,0|1,0,0]=3 30738 B12R1.125 C[C@@H](O)CSC1CCCCC1O 62a_100009817552_100000038908 [0,1,0,1,0,0|1,0,0]=3 30739 B12R1.125 OC1CCCCC1NCC(F)F 34a_100000765723_100000038908 [0,1,0,1,0,0|2,0,0]=4 30740 B12R1.125 OC1CCCCC1OCC(F)F 34a_100000743014_100000038908 [0,1,0,1,0,0|2,0,0]=4 30741 B12R1.125 OC1CCCCC1SCC(F)F 62a_100000038908_100011934356 [0,1,0,1,0,0|2,0,0]=4 30742 B12R1.125 OC1CCCCC1SCC(F)F 62a_100011934356_100000038908 [0,1,0,1,0,0|2,0,0]=4 30743 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,1,0,1,0,0|1,0,1]=4 30744 B12R1.130 C=C(C)CCS[C@@H]1CCC[C@H]1O 62a_100000730704_200016002552 [0,1,0,1,0,0|1,0,1]=4 30745 B12R1.130 C=C(C)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000730704 [0,1,0,1,0,0|1,0,1]=4 30746 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,1,0,1,0,0|1,0,1]=4 30747 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,1,0,1,0,0|1,0,1]=4 30748 B12R1.130 CC(Br)CCOC1COCC1O 34a_100009893172_200000725654 [0,1,0,1,0,0|2,0,0]=4 30749 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 2230a_100020605311_100011214892 [0,1,0,1,0,0|2,0,0]=4 30750 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 269982a_100020605311_100011214892 [0,1,0,1,0,0|2,0,0]=4 30751 B12R1.130 CC(C)CCCN1CCC[C@H]1C 2230a_100015189458_100011214892 [0,1,0,1,0,0|2,0,0]=4 30752 B12R1.130 CC(C)CCCN1CCC[C@H]1C 269982a_100015189458_100011214892 [0,1,0,1,0,0|2,0,0]=4 30753 B12R1.130 CC(C)CCCN1CCC[C@H]1C 34a_100015189458_100011214892 [0,1,0,1,0,0|2,0,0]=4 30754 B12R1.130 CC(C)CCNC1CCCC1C 269862a_100000210545_100000752053 [0,1,0,1,0,0|2,0,0]=4 30755 B12R1.130 CC(C)CCN[C@H]1CCC[C@@H]1O 269862a_100000748460_100000185833 [0,1,0,1,0,0|1,0,0]=3 30756 B12R1.130 CC(C)CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210312 [0,1,0,1,0,0|2,0,0]=4 30757 B12R1.130 CC(C)CCN[C@H]1COC[C@@H]1O 269862a_100015191717_100000185833 [0,1,0,1,0,0|2,0,0]=4 30758 B12R1.130 CC(C)CCOC1CCCC1C 34a_100011216460_100000210312 [0,1,0,1,0,0|2,0,0]=4 30759 B12R1.130 CC(C)CCOC1CCCC1C 7a_100011216460_100000210626 [0,1,0,1,0,0|2,0,0]=4 30760 B12R1.130 CC(C)CCOC1COCC1O 34a_100000210254_200000725654 [0,1,0,1,0,0|2,0,0]=4 30761 B12R1.130 CC(C)CCOC1COCC1O 7a_100000210254_200000725654 [0,1,0,1,0,0|2,0,0]=4 30762 B12R1.130 CC(C)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210312 [0,1,0,1,0,0|2,0,0]=4 30763 B12R1.130 CC(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210312 [0,1,0,1,0,0|2,0,0]=4 30764 B12R1.130 CC(C)CCSC1COCC1O 62a_100000210312_200000725654 [0,1,0,1,0,0|2,0,0]=4 30765 B12R1.130 CC(C)CCSC1COCC1O 62a_200000725654_100000210312 [0,1,0,1,0,0|2,0,0]=4 30766 B12R1.130 CC(C)CCS[C@@H]1CCC[C@H]1O 62a_100000210312_200016002552 [0,1,0,1,0,0|1,0,0]=3 30767 B12R1.130 CC(C)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210312 [0,1,0,1,0,0|1,0,0]=3 30768 B12R1.130 CC(C)OCS[C@@H]1CCC[C@H]1O 62a_100000709892_200016002552 [0,1,0,1,0,0|2,0,0]=4 30769 B12R1.130 CC(C)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000709892 [0,1,0,1,0,0|2,0,0]=4 30770 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 2230a_100020605311_200000718107 [0,1,0,1,0,0|1,0,0]=3 30771 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 269982a_100020605311_200000718107 [0,1,0,1,0,0|1,0,0]=3 30772 B12R1.130 CC(O)CCCN1CCC[C@H]1C 2230a_100015189458_200000718107 [0,1,0,1,0,0|1,0,0]=3 30773 B12R1.130 CC(O)CCCN1CCC[C@H]1C 269982a_100015189458_200000718107 [0,1,0,1,0,0|1,0,0]=3 30774 B12R1.130 CC(O)CCCN1CCC[C@H]1C 34a_100015189458_200000718107 [0,1,0,1,0,0|1,0,0]=3 30775 B12R1.130 CC(O)CCCN1CCSC1C 2230a_200011216479_200000718107 [0,1,0,1,0,0|2,0,0]=4 30776 B12R1.130 CC(O)CCCN1CCSC1C 269982a_200011216479_200000718107 [0,1,0,1,0,0|2,0,0]=4 30777 B12R1.130 CC(O)CCCN1CCSC1C 34a_200011216479_200000718107 [0,1,0,1,0,0|2,0,0]=4 30778 B12R1.130 CC(O)CCNC1CCCC1C 269862a_200000755665_100000752053 [0,1,0,1,0,0|1,0,0]=3 30779 B12R1.130 CC(O)CCNC1CCOC1C 270004a_200000755665_100000691750 [0,1,0,1,0,0|2,0,0]=4 30780 B12R1.130 CC(O)CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100012276601 [0,1,0,1,0,0|2,0,0]=4 30781 B12R1.130 CC(O)CCOC1CCCC1C 34a_100011216460_100012276601 [0,1,0,1,0,0|1,0,0]=3 30782 B12R1.130 CC(O)CCOC1CCCC1C 7a_100011216460_100012276601 [0,1,0,1,0,0|1,0,0]=3 30783 B12R1.130 CC(O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012276601 [0,1,0,1,0,0|2,0,0]=4 30784 B12R1.130 CC(O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100012276601 [0,1,0,1,0,0|2,0,0]=4 30785 B12R1.130 CC(O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100012276601 [0,1,0,1,0,0|2,0,0]=4 30786 B12R1.130 CC(O)CCSC1COCC1O 62a_100012276601_200000725654 [0,1,0,1,0,0|2,0,0]=4 30787 B12R1.130 CC(O)CCSC1COCC1O 62a_200000725654_100012276601 [0,1,0,1,0,0|2,0,0]=4 30788 B12R1.130 CC(O)CCS[C@@H]1CCC[C@H]1O 62a_100012276601_200016002552 [0,1,0,1,0,0|1,0,0]=3 30789 B12R1.130 CC(O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100012276601 [0,1,0,1,0,0|1,0,0]=3 30790 B12R1.130 CC(O)COCC1CCCN1C 34a_100000743107_100011218427 [0,1,0,1,0,0|2,0,0]=4 30791 B12R1.130 CN(C)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000755713 [0,1,0,1,0,0|2,0,0]=4 30792 B12R1.130 C[C@@H](N)CCOC1COCC1O 34a_100000706166_200000725654 [0,1,0,1,0,0|2,0,0]=4 30793 B12R1.130 C[C@@H](O)COCC1CCCN1C 34a_100000743107_100009817552 [0,1,0,1,0,0|2,0,0]=4 30794 B12R1.143 CC(C)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011216152 [0,1,0,1,0,0|2,0,0]=4 30795 B12R1.143 CC(C)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011216152 [0,1,0,1,0,0|2,0,0]=4 30796 B12R1.143 CC(C)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216152 [0,1,0,1,0,0|2,0,0]=4 30797 B12R1.143 CC(C)CCCOCC1CC1C 34a_100000744939_100011214892 [0,1,0,1,0,0|2,0,0]=4 30798 B12R1.143 CC(C)CCCOCC1CC1C 7a_100000744939_100011214892 [0,1,0,1,0,0|2,0,0]=4 30799 B12R1.143 CC(O)CCCOCC1CC1C 34a_100000744939_200000718107 [0,1,0,1,0,0|1,0,0]=3 30800 B12R1.143 CC(O)CCCOCC1CC1C 7a_100000744939_200000718107 [0,1,0,1,0,0|1,0,0]=3 30801 B12R1.162 COCC1CCN1CCC(C)O 2230a_100015195929_100012276601 [0,1,0,1,0,0|2,0,0]=4 30802 B12R1.162 COCC1CCN1CCC(C)O 269982a_100015195929_100012276601 [0,1,0,1,0,0|2,0,0]=4 30803 B12R1.162 COCC1CCN1CCC(C)O 34a_100015195929_100012276601 [0,1,0,1,0,0|2,0,0]=4 30804 B12R1.210 CC(C)CC1CCCCCN1C 2230a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 30805 B12R1.210 CC(C)CC1CCCCCN1C 269982a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 30806 B12R1.210 CC(C)CC1CCCCCN1C 34a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 30807 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 2230a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 30808 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 269982a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 30809 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 34a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 30810 B12R1.229 CC(C)CCCCN1CCC1C 269982a_100000755817_100011216152 [0,1,0,1,0,0|2,0,0]=4 30811 B12R1.229 CC(C)CCCCN1CCC1C 34a_100000755817_100011216152 [0,1,0,1,0,0|2,0,0]=4 30812 B12R1.229 CC1CCN1CCCCB(O)O 269982a_100000755817_200009817182 [0,1,0,1,0,0|2,0,0]=4 30813 B12R1.229 CC1CCN1CCCCB(O)O 34a_100000755817_200009817182 [0,1,0,1,0,0|2,0,0]=4 30814 B12R1.252 C=C(C)CCOC1CCCCO1 34a_100000033831_100000730704 [0,1,0,1,0,0|1,0,1]=4 30815 B12R1.252 C=C(C)CNCC1CCCCO1 2230a_100000174945_100000748629 [0,1,0,1,0,0|1,0,1]=4 30816 B12R1.252 C=C(C)CNCC1CCCCO1 34a_100000174945_100000748629 [0,1,0,1,0,0|1,0,1]=4 30817 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000210245_100000211543 [0,1,0,1,0,0|1,0,1]=4 30818 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000211370_100000748629 [0,1,0,1,0,0|1,0,1]=4 30819 B12R1.252 C=C(C)COCC1CCCCO1 7a_100000211370_100000748629 [0,1,0,1,0,0|1,0,1]=4 30820 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000211543_100000211660 [0,1,0,1,0,0|1,0,1]=4 30821 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000748629_100000211543 [0,1,0,1,0,0|1,0,1]=4 30822 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,1,0,1,0,0|0,0,2]=4 30823 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,1,0,1,0,0|0,0,2]=4 30824 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,1,0,1,0,0|1,0,1]=4 30825 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,1,0,1,0,0|1,0,1]=4 30826 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,1,0,1,0,0|1,0,1]=4 30827 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,1,0,1,0,0|1,0,1]=4 30828 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,1,0,1,0,0|1,0,1]=4 30829 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,1,0,1,0,0|1,0,1]=4 30830 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,1,0,1,0,0|1,0,1]=4 30831 B12R1.252 CC(Br)CCOC1CCCCC1 34a_100009893172_100000210327 [0,1,0,1,0,0|2,0,0]=4 30832 B12R1.252 CC(Br)COCC1CCCCC1 34a_100012180447_100000211423 [0,1,0,1,0,0|2,0,0]=4 30833 B12R1.252 CC(Br)COCC1CCCCO1 34a_100012180447_100000211543 [0,1,0,1,0,0|1,0,0]=3 30834 B12R1.252 CC(C)CCNC1CCCCC1 2230a_100000182618_100000210312 [0,1,0,1,0,0|2,0,0]=4 30835 B12R1.252 CC(C)CCNC1CCCCC1 269862a_100000182618_100000185833 [0,1,0,1,0,0|2,0,0]=4 30836 B12R1.252 CC(C)CCNC1CCCCC1 270004a_100000210545_100000210434 [0,1,0,1,0,0|2,0,0]=4 30837 B12R1.252 CC(C)CCNC1CCCCC1 34a_100000182618_100000210312 [0,1,0,1,0,0|2,0,0]=4 30838 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210231_100000210312 [0,1,0,1,0,0|2,0,0]=4 30839 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210254_100000210327 [0,1,0,1,0,0|2,0,0]=4 30840 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210231_100000210626 [0,1,0,1,0,0|2,0,0]=4 30841 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210254_100000210327 [0,1,0,1,0,0|2,0,0]=4 30842 B12R1.252 CC(C)CCOC1CCCCO1 34a_100000033831_100000210312 [0,1,0,1,0,0|1,0,0]=3 30843 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210312_100000210327 [0,1,0,1,0,0|2,0,0]=4 30844 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210327_100000210312 [0,1,0,1,0,0|2,0,0]=4 30845 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210473_100000210760 [0,1,0,1,0,0|2,0,0]=4 30846 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210953_100000211423 [0,1,0,1,0,0|2,0,0]=4 30847 B12R1.252 CC(C)CNCC1CCCCC1 269862a_100000210953_100000211278 [0,1,0,1,0,0|2,0,0]=4 30848 B12R1.252 CC(C)CNCC1CCCCC1 270004a_100000210473_100000210432 [0,1,0,1,0,0|2,0,0]=4 30849 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210473_100000210624 [0,1,0,1,0,0|2,0,0]=4 30850 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210953_100000211423 [0,1,0,1,0,0|2,0,0]=4 30851 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000174945_100000210760 [0,1,0,1,0,0|1,0,0]=3 30852 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000210953_100000211543 [0,1,0,1,0,0|1,0,0]=3 30853 B12R1.252 CC(C)CNCC1CCCCO1 270004a_100000174945_100000210432 [0,1,0,1,0,0|1,0,0]=3 30854 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000174945_100000210624 [0,1,0,1,0,0|1,0,0]=3 30855 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000210953_100000211543 [0,1,0,1,0,0|1,0,0]=3 30856 B12R1.252 CC(C)CNC[C@H]1COCCO1 2230a_100010981119_100000210760 [0,1,0,1,0,0|2,0,0]=4 30857 B12R1.252 CC(C)CNC[C@H]1COCCO1 270004a_100010981119_100000210432 [0,1,0,1,0,0|2,0,0]=4 30858 B12R1.252 CC(C)CNC[C@H]1COCCO1 34a_100010981119_100000210624 [0,1,0,1,0,0|2,0,0]=4 30859 B12R1.252 CC(C)COCC1CCCCC1 34a_100000210257_100000211423 [0,1,0,1,0,0|2,0,0]=4 30860 B12R1.252 CC(C)COCC1CCCCC1 34a_100000212181_100000210624 [0,1,0,1,0,0|2,0,0]=4 30861 B12R1.252 CC(C)COCC1CCCCC1 7a_100000212181_100000210760 [0,1,0,1,0,0|2,0,0]=4 30862 B12R1.252 CC(C)COCC1CCCCN1 34a_100000210821_100000210624 [0,1,0,1,0,0|2,0,0]=4 30863 B12R1.252 CC(C)COCC1CCCCO1 34a_100000210257_100000211543 [0,1,0,1,0,0|1,0,0]=3 30864 B12R1.252 CC(C)COCC1CCCCO1 34a_100000211370_100000210624 [0,1,0,1,0,0|1,0,0]=3 30865 B12R1.252 CC(C)COCC1CCCCO1 7a_100000211370_100000210760 [0,1,0,1,0,0|1,0,0]=3 30866 B12R1.252 CC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000210624 [0,1,0,1,0,0|2,0,0]=4 30867 B12R1.252 CC(C)COC[C@H]1COCCO1 34a_100009875890_100000210624 [0,1,0,1,0,0|2,0,0]=4 30868 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000210624_100000211423 [0,1,0,1,0,0|2,0,0]=4 30869 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000211423_100000210760 [0,1,0,1,0,0|2,0,0]=4 30870 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000210624_100000211543 [0,1,0,1,0,0|1,0,0]=3 30871 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000211543_100000210760 [0,1,0,1,0,0|1,0,0]=3 30872 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100000738074_100000210206 [0,1,0,1,0,0|2,0,0]=4 30873 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100138425928_100012355289 [0,1,0,1,0,0|2,0,0]=4 30874 B12R1.252 CC(C)NCCC1CCCCC1 34a_100000738074_100000210206 [0,1,0,1,0,0|2,0,0]=4 30875 B12R1.252 CC(C)NCCC1CCCCC1 34a_100138425928_100011209188 [0,1,0,1,0,0|2,0,0]=4 30876 B12R1.252 CC(C)NCCC1CCCCO1 2230a_100015183643_100000210206 [0,1,0,1,0,0|1,0,0]=3 30877 B12R1.252 CC(C)NCCC1CCCCO1 34a_100015183643_100000210206 [0,1,0,1,0,0|1,0,0]=3 30878 B12R1.252 CC(C)NCCC1OCCCO1 2230a_100138425928_100000764188 [0,1,0,1,0,0|2,0,0]=4 30879 B12R1.252 CC(C)NCCC1OCCCO1 34a_100138425928_100000764188 [0,1,0,1,0,0|2,0,0]=4 30880 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,1,0,1,0,0|2,0,0]=4 30881 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,1,0,1,0,0|2,0,0]=4 30882 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,1,0,1,0,0|2,0,0]=4 30883 B12R1.252 CC(C)OCCC1CCCCN1 34a_100000211664_100000210206 [0,1,0,1,0,0|2,0,0]=4 30884 B12R1.252 CC(C)OCCC1OCCCO1 34a_100000212225_100000764188 [0,1,0,1,0,0|2,0,0]=4 30885 B12R1.252 CC(C)OCOC1CCCCO1 34a_100000033831_100000709892 [0,1,0,1,0,0|2,0,0]=4 30886 B12R1.252 CC(C)SCCC1CCCCC1 62a_100000210206_100012355289 [0,1,0,1,0,0|2,0,0]=4 30887 B12R1.252 CC(C)SCCC1CCCCC1 62a_100012355289_100000210206 [0,1,0,1,0,0|2,0,0]=4 30888 B12R1.252 CC(C)SCCC1OCCCO1 62a_100000210206_100000764188 [0,1,0,1,0,0|2,0,0]=4 30889 B12R1.252 CC(C)SCCC1OCCCO1 62a_100000764188_100000210206 [0,1,0,1,0,0|2,0,0]=4 30890 B12R1.252 CC(F)COCC1CCCCC1 34a_100015925927_100000211423 [0,1,0,1,0,0|2,0,0]=4 30891 B12R1.252 CC(F)COCC1CCCCO1 34a_100015925927_100000211543 [0,1,0,1,0,0|1,0,0]=3 30892 B12R1.252 CC(O)CCCN1CCCOC1 2230a_100000131196_200000718107 [0,1,0,1,0,0|2,0,0]=4 30893 B12R1.252 CC(O)CCCN1CCCOC1 269982a_100000131196_200000718107 [0,1,0,1,0,0|2,0,0]=4 30894 B12R1.252 CC(O)CCCN1CCCOC1 34a_100000131196_200000718107 [0,1,0,1,0,0|2,0,0]=4 30895 B12R1.252 CC(O)CCCN1CCOCC1 2230a_100015191051_200000718107 [0,1,0,1,0,0|2,0,0]=4 30896 B12R1.252 CC(O)CCCN1CCOCC1 269982a_100015191051_200000718107 [0,1,0,1,0,0|2,0,0]=4 30897 B12R1.252 CC(O)CCCN1CCOCC1 34a_100015191051_200000718107 [0,1,0,1,0,0|2,0,0]=4 30898 B12R1.252 CC(O)CCCN1CCSCC1 2230a_100000737611_200000718107 [0,1,0,1,0,0|2,0,0]=4 30899 B12R1.252 CC(O)CCCN1CCSCC1 269982a_100000737611_200000718107 [0,1,0,1,0,0|2,0,0]=4 30900 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [0,1,0,1,0,0|1,0,0]=3 30901 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [0,1,0,1,0,0|1,0,0]=3 30902 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [0,1,0,1,0,0|1,0,0]=3 30903 B12R1.252 CC(O)CCNC1CCCOC1 2230a_100000719290_100012276601 [0,1,0,1,0,0|2,0,0]=4 30904 B12R1.252 CC(O)CCNC1CCCOC1 270004a_200000755665_100000753404 [0,1,0,1,0,0|2,0,0]=4 30905 B12R1.252 CC(O)CCNC1CCCOC1 34a_100000719290_100012276601 [0,1,0,1,0,0|2,0,0]=4 30906 B12R1.252 CC(O)CCNC1CCCSC1 270004a_200000755665_100000057913 [0,1,0,1,0,0|2,0,0]=4 30907 B12R1.252 CC(O)CCNC1CCNCC1 270004a_200000755665_100015192401 [0,1,0,1,0,0|2,0,0]=4 30908 B12R1.252 CC(O)CCNC1CCOCC1 2230a_100000741149_100012276601 [0,1,0,1,0,0|2,0,0]=4 30909 B12R1.252 CC(O)CCNC1CCOCC1 270004a_200000755665_100011217826 [0,1,0,1,0,0|2,0,0]=4 30910 B12R1.252 CC(O)CCNC1CCOCC1 34a_100000741149_100012276601 [0,1,0,1,0,0|2,0,0]=4 30911 B12R1.252 CC(O)CCNC1CCSCC1 2230a_100000748639_100012276601 [0,1,0,1,0,0|2,0,0]=4 30912 B12R1.252 CC(O)CCNC1CCSCC1 270004a_200000755665_100000203788 [0,1,0,1,0,0|2,0,0]=4 30913 B12R1.252 CC(O)CCNC1CCSCC1 34a_100000748639_100012276601 [0,1,0,1,0,0|2,0,0]=4 30914 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [0,1,0,1,0,0|1,0,0]=3 30915 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [0,1,0,1,0,0|1,0,0]=3 30916 B12R1.252 CC(O)CCOC1CCCCO1 34a_100000033831_100012276601 [0,1,0,1,0,0|1,0,0]=3 30917 B12R1.252 CC(O)CCOC1CCCOC1 34a_100000754041_100012276601 [0,1,0,1,0,0|2,0,0]=4 30918 B12R1.252 CC(O)CCOC1CCCSC1 7a_100015962668_100012276601 [0,1,0,1,0,0|2,0,0]=4 30919 B12R1.252 CC(O)CCOC1CCOCC1 34a_100000744328_100012276601 [0,1,0,1,0,0|2,0,0]=4 30920 B12R1.252 CC(O)CCOC1CCSCC1 34a_100000731022_100012276601 [0,1,0,1,0,0|2,0,0]=4 30921 B12R1.252 CC(O)CCOC1CCSCC1 7a_100000731022_100012276601 [0,1,0,1,0,0|2,0,0]=4 30922 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [0,1,0,1,0,0|1,0,0]=3 30923 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [0,1,0,1,0,0|1,0,0]=3 30924 B12R1.252 CC(O)CCSC1CCCOC1 62a_100012276601_100000693364 [0,1,0,1,0,0|2,0,0]=4 30925 B12R1.252 CC(O)CCSC1CCOCC1 62a_100012276601_100011324220 [0,1,0,1,0,0|2,0,0]=4 30926 B12R1.252 CC(O)CCSC1CCSCC1 62a_100012276601_100000069128 [0,1,0,1,0,0|2,0,0]=4 30927 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [0,1,0,1,0,0|1,0,0]=3 30928 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [0,1,0,1,0,0|1,0,0]=3 30929 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [0,1,0,1,0,0|1,0,0]=3 30930 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [0,1,0,1,0,0|1,0,0]=3 30931 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [0,1,0,1,0,0|1,0,0]=3 30932 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000174945_100011218427 [0,1,0,1,0,0|1,0,0]=3 30933 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000210904_100000211543 [0,1,0,1,0,0|1,0,0]=3 30934 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000174945_100011218427 [0,1,0,1,0,0|1,0,0]=3 30935 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000210904_100000211543 [0,1,0,1,0,0|1,0,0]=3 30936 B12R1.252 CC(O)CNCC1CCCOC1 2230a_100000210904_100000741521 [0,1,0,1,0,0|2,0,0]=4 30937 B12R1.252 CC(O)CNCC1CCCOC1 2230a_100000720124_100011218427 [0,1,0,1,0,0|2,0,0]=4 30938 B12R1.252 CC(O)CNCC1CCCOC1 34a_100000210904_100000741521 [0,1,0,1,0,0|2,0,0]=4 30939 B12R1.252 CC(O)CNCC1CCCOC1 34a_100000720124_100011218427 [0,1,0,1,0,0|2,0,0]=4 30940 B12R1.252 CC(O)CNCC1CCOCC1 2230a_100000210904_100000754603 [0,1,0,1,0,0|2,0,0]=4 30941 B12R1.252 CC(O)CNCC1CCOCC1 2230a_100000746373_100011218427 [0,1,0,1,0,0|2,0,0]=4 30942 B12R1.252 CC(O)CNCC1CCOCC1 269862a_100000210904_100000749017 [0,1,0,1,0,0|2,0,0]=4 30943 B12R1.252 CC(O)CNCC1CCOCC1 34a_100000210904_100000754603 [0,1,0,1,0,0|2,0,0]=4 30944 B12R1.252 CC(O)CNCC1CCOCC1 34a_100000746373_100011218427 [0,1,0,1,0,0|2,0,0]=4 30945 B12R1.252 CC(O)CNCC1CCSCC1 2230a_100015188806_100011218427 [0,1,0,1,0,0|2,0,0]=4 30946 B12R1.252 CC(O)CNCC1CCSCC1 269862a_100000210904_100000067145 [0,1,0,1,0,0|2,0,0]=4 30947 B12R1.252 CC(O)CNCC1CCSCC1 270004a_100000210904_100000067145 [0,1,0,1,0,0|2,0,0]=4 30948 B12R1.252 CC(O)CNCC1CCSCC1 34a_100015188806_100011218427 [0,1,0,1,0,0|2,0,0]=4 30949 B12R1.252 CC(O)CNC[C@H]1COCCO1 2230a_100010981119_100011218427 [0,1,0,1,0,0|2,0,0]=4 30950 B12R1.252 CC(O)CNC[C@H]1COCCO1 34a_100010981119_100011218427 [0,1,0,1,0,0|2,0,0]=4 30951 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,1,0,1,0,0|1,0,0]=3 30952 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,1,0,1,0,0|1,0,0]=3 30953 B12R1.252 CC(O)COCC1CCCCN1 34a_100000210821_100011218427 [0,1,0,1,0,0|2,0,0]=4 30954 B12R1.252 CC(O)COCC1CCCCO1 34a_100000211370_100011218427 [0,1,0,1,0,0|1,0,0]=3 30955 B12R1.252 CC(O)COCC1CCCCO1 7a_100000211370_100011218427 [0,1,0,1,0,0|1,0,0]=3 30956 B12R1.252 CC(O)COCC1CCCNC1 34a_100000211344_100011218427 [0,1,0,1,0,0|2,0,0]=4 30957 B12R1.252 CC(O)COCC1CCCOC1 34a_100000741520_100011218427 [0,1,0,1,0,0|2,0,0]=4 30958 B12R1.252 CC(O)COCC1CCNCC1 34a_100000738675_100011218427 [0,1,0,1,0,0|2,0,0]=4 30959 B12R1.252 CC(O)COCC1CCOCC1 34a_100000749013_100011218427 [0,1,0,1,0,0|2,0,0]=4 30960 B12R1.252 CC(O)COCC1CCSCC1 34a_100000070558_100011218427 [0,1,0,1,0,0|2,0,0]=4 30961 B12R1.252 CC(O)COCC1CCSCC1 7a_100000070558_100011218427 [0,1,0,1,0,0|2,0,0]=4 30962 B12R1.252 CC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011218427 [0,1,0,1,0,0|2,0,0]=4 30963 B12R1.252 CC(O)COC[C@H]1COCCO1 34a_100009875890_100011218427 [0,1,0,1,0,0|2,0,0]=4 30964 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [0,1,0,1,0,0|1,0,0]=3 30965 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [0,1,0,1,0,0|1,0,0]=3 30966 B12R1.252 CC(O)CSCC1CCCCO1 62a_100000211543_100011218427 [0,1,0,1,0,0|1,0,0]=3 30967 B12R1.252 CC(O)CSCC1CCCCO1 62a_100011218427_100000211543 [0,1,0,1,0,0|1,0,0]=3 30968 B12R1.252 CC(O)CSCC1CCCOC1 62a_100000741521_100011218427 [0,1,0,1,0,0|2,0,0]=4 30969 B12R1.252 CC(O)CSCC1CCCOC1 62a_100011218427_100000741521 [0,1,0,1,0,0|2,0,0]=4 30970 B12R1.252 CC(O)CSCC1CCOCC1 62a_100000754603_100011218427 [0,1,0,1,0,0|2,0,0]=4 30971 B12R1.252 CC(O)CSCC1CCOCC1 62a_100011218427_100000749018 [0,1,0,1,0,0|2,0,0]=4 30972 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,1,0,1,0,0|2,0,0]=4 30973 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,1,0,1,0,0|2,0,0]=4 30974 B12R1.252 CN(C)CCOC1CCCCO1 2230a_100102631434_100000744793 [0,1,0,1,0,0|2,0,0]=4 30975 B12R1.252 CN(C)CCOC1CCCCO1 269982a_100102631434_100000744793 [0,1,0,1,0,0|2,0,0]=4 30976 B12R1.252 C[C@@H](Cl)COCC1CCCCC1 34a_100016084084_100000211423 [0,1,0,1,0,0|2,0,0]=4 30977 B12R1.252 C[C@@H](Cl)COCC1CCCCO1 34a_100016084084_100000211543 [0,1,0,1,0,0|1,0,0]=3 30978 B12R1.252 C[C@@H](N)CCOC1CCCCC1 34a_100000706166_100000210327 [0,1,0,1,0,0|2,0,0]=4 30979 B12R1.252 C[C@@H](N)COCC1CCCCC1 34a_100000737577_100000211423 [0,1,0,1,0,0|2,0,0]=4 30980 B12R1.252 C[C@@H](N)COCC1CCCCO1 34a_100000737577_100000211543 [0,1,0,1,0,0|1,0,0]=3 30981 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [0,1,0,1,0,0|1,0,0]=3 30982 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [0,1,0,1,0,0|1,0,0]=3 30983 B12R1.252 C[C@@H](O)CNCC1CCCCO1 2230a_100000174945_100009817552 [0,1,0,1,0,0|1,0,0]=3 30984 B12R1.252 C[C@@H](O)CNCC1CCCCO1 34a_100000174945_100009817552 [0,1,0,1,0,0|1,0,0]=3 30985 B12R1.252 C[C@@H](O)CNCC1CCCOC1 2230a_100000720124_100009817552 [0,1,0,1,0,0|2,0,0]=4 30986 B12R1.252 C[C@@H](O)CNCC1CCCOC1 34a_100000720124_100009817552 [0,1,0,1,0,0|2,0,0]=4 30987 B12R1.252 C[C@@H](O)CNCC1CCOCC1 2230a_100000746373_100009817552 [0,1,0,1,0,0|2,0,0]=4 30988 B12R1.252 C[C@@H](O)CNCC1CCOCC1 34a_100000746373_100009817552 [0,1,0,1,0,0|2,0,0]=4 30989 B12R1.252 C[C@@H](O)CNCC1CCSCC1 2230a_100015188806_100009817552 [0,1,0,1,0,0|2,0,0]=4 30990 B12R1.252 C[C@@H](O)CNCC1CCSCC1 34a_100015188806_100009817552 [0,1,0,1,0,0|2,0,0]=4 30991 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 2230a_100010981119_100009817552 [0,1,0,1,0,0|2,0,0]=4 30992 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 34a_100010981119_100009817552 [0,1,0,1,0,0|2,0,0]=4 30993 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,1,0,1,0,0|1,0,0]=3 30994 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,1,0,1,0,0|1,0,0]=3 30995 B12R1.252 C[C@@H](O)COCC1CCCCN1 34a_100000210821_100009817552 [0,1,0,1,0,0|2,0,0]=4 30996 B12R1.252 C[C@@H](O)COCC1CCCCO1 34a_100000211370_100009817552 [0,1,0,1,0,0|1,0,0]=3 30997 B12R1.252 C[C@@H](O)COCC1CCCCO1 7a_100000211370_100009817552 [0,1,0,1,0,0|1,0,0]=3 30998 B12R1.252 C[C@@H](O)COCC1CCCNC1 34a_100000211344_100009817552 [0,1,0,1,0,0|2,0,0]=4 30999 B12R1.252 C[C@@H](O)COCC1CCCOC1 34a_100000741520_100009817552 [0,1,0,1,0,0|2,0,0]=4 31000 B12R1.252 C[C@@H](O)COCC1CCNCC1 34a_100000738675_100009817552 [0,1,0,1,0,0|2,0,0]=4 31001 B12R1.252 C[C@@H](O)COCC1CCOCC1 34a_100000749013_100009817552 [0,1,0,1,0,0|2,0,0]=4 31002 B12R1.252 C[C@@H](O)COCC1CCSCC1 34a_100000070558_100009817552 [0,1,0,1,0,0|2,0,0]=4 31003 B12R1.252 C[C@@H](O)COCC1CCSCC1 7a_100000070558_100009817552 [0,1,0,1,0,0|2,0,0]=4 31004 B12R1.252 C[C@@H](O)COC[C@@H]1CNCCO1 34a_100015189573_100009817552 [0,1,0,1,0,0|2,0,0]=4 31005 B12R1.252 C[C@@H](O)COC[C@H]1COCCO1 34a_100009875890_100009817552 [0,1,0,1,0,0|2,0,0]=4 31006 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [0,1,0,1,0,0|1,0,0]=3 31007 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [0,1,0,1,0,0|1,0,0]=3 31008 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100000211543_100009817552 [0,1,0,1,0,0|1,0,0]=3 31009 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100009817552_100000211543 [0,1,0,1,0,0|1,0,0]=3 31010 B12R1.252 C[C@@H](O)CSCC1CCCOC1 62a_100000741521_100009817552 [0,1,0,1,0,0|2,0,0]=4 31011 B12R1.252 C[C@@H](O)CSCC1CCCOC1 62a_100009817552_100000741521 [0,1,0,1,0,0|2,0,0]=4 31012 B12R1.252 C[C@@H](O)CSCC1CCOCC1 62a_100000754603_100009817552 [0,1,0,1,0,0|2,0,0]=4 31013 B12R1.252 C[C@@H](O)CSCC1CCOCC1 62a_100009817552_100000749018 [0,1,0,1,0,0|2,0,0]=4 31014 B12R1.252 FC(F)CCOC1CCCCC1 34a_100103093639_100000210327 [0,1,0,1,0,0|2,0,0]=4 31015 B12R1.252 FC(F)CNCC1CCCCC1 2230a_100000210473_100011934356 [0,1,0,1,0,0|2,0,0]=4 31016 B12R1.252 FC(F)CNCC1CCCCC1 34a_100000210473_100011934356 [0,1,0,1,0,0|2,0,0]=4 31017 B12R1.252 FC(F)CNCC1CCCCC1 34a_100000765723_100000211423 [0,1,0,1,0,0|2,0,0]=4 31018 B12R1.252 FC(F)CNCC1CCCCO1 2230a_100000174945_100011934356 [0,1,0,1,0,0|2,0,0]=4 31019 B12R1.252 FC(F)CNCC1CCCCO1 34a_100000174945_100011934356 [0,1,0,1,0,0|2,0,0]=4 31020 B12R1.252 FC(F)CNCC1CCCCO1 34a_100000765723_100000211543 [0,1,0,1,0,0|2,0,0]=4 31021 B12R1.252 FC(F)COCC1CCCCC1 34a_100000212181_100011934356 [0,1,0,1,0,0|2,0,0]=4 31022 B12R1.252 FC(F)COCC1CCCCC1 34a_100000743014_100000211423 [0,1,0,1,0,0|2,0,0]=4 31023 B12R1.252 FC(F)COCC1CCCCC1 7a_100000212181_100011934356 [0,1,0,1,0,0|2,0,0]=4 31024 B12R1.252 FC(F)COCC1CCCCO1 34a_100000211370_100011934356 [0,1,0,1,0,0|2,0,0]=4 31025 B12R1.252 FC(F)COCC1CCCCO1 34a_100000743014_100000211543 [0,1,0,1,0,0|2,0,0]=4 31026 B12R1.252 FC(F)COCC1CCCCO1 7a_100000211370_100011934356 [0,1,0,1,0,0|2,0,0]=4 31027 B12R1.252 FC(F)CSCC1CCCCC1 62a_100000211423_100011934356 [0,1,0,1,0,0|2,0,0]=4 31028 B12R1.252 FC(F)CSCC1CCCCC1 62a_100011934356_100000211423 [0,1,0,1,0,0|2,0,0]=4 31029 B12R1.252 FC(F)CSCC1CCCCO1 62a_100000211543_100011934356 [0,1,0,1,0,0|2,0,0]=4 31030 B12R1.252 FC(F)CSCC1CCCCO1 62a_100011934356_100000211543 [0,1,0,1,0,0|2,0,0]=4 31031 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,1,0,1,0,0|1,0,1]=4 31032 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,1,0,1,0,0|0,0,2]=4 31033 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,1,0,1,0,0|1,0,1]=4 31034 B12R1.255 C=C(C)CCNC[C@@H]1CCCO1 2230a_100020590478_100000730704 [0,1,0,1,0,0|1,0,1]=4 31035 B12R1.255 C=C(C)CCNC[C@@H]1CCCO1 34a_100020590478_100000730704 [0,1,0,1,0,0|1,0,1]=4 31036 B12R1.255 C=C(C)CCOCC1CCCO1 34a_100000210270_100000730704 [0,1,0,1,0,0|1,0,1]=4 31037 B12R1.255 C=C(C)CCOCC1CCCO1 7a_100000210270_100000730704 [0,1,0,1,0,0|1,0,1]=4 31038 B12R1.255 C=C(C)CCSCC1CCCO1 62a_100000203698_100000730704 [0,1,0,1,0,0|1,0,1]=4 31039 B12R1.255 C=C(C)CCSCC1CCCO1 62a_100000730704_100000203698 [0,1,0,1,0,0|1,0,1]=4 31040 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,1,0,1,0,0|1,0,1]=4 31041 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,1,0,1,0,0|1,0,1]=4 31042 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,1,0,1,0,0|1,0,1]=4 31043 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,1,0,1,0,0|1,0,1]=4 31044 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,1,0,1,0,0|1,0,1]=4 31045 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,1,0,1,0,0|1,0,1]=4 31046 B12R1.255 CC(Br)CCOCC1CCCC1 34a_100009893172_100000740388 [0,1,0,1,0,0|2,0,0]=4 31047 B12R1.255 CC(Br)CCOCC1OCCO1 34a_100009893172_100000755774 [0,1,0,1,0,0|2,0,0]=4 31048 B12R1.255 CC(Br)COCCC1CCCC1 34a_100012180447_100000760354 [0,1,0,1,0,0|2,0,0]=4 31049 B12R1.255 CC(Br)COCCC1OCCO1 34a_100012180447_100000740749 [0,1,0,1,0,0|2,0,0]=4 31050 B12R1.255 CC(C)CCCCN1CCCC1 2230a_100000188435_100011216152 [0,1,0,1,0,0|2,0,0]=4 31051 B12R1.255 CC(C)CCCCN1CCCC1 269982a_100000188435_100011216152 [0,1,0,1,0,0|2,0,0]=4 31052 B12R1.255 CC(C)CCCNC1CCCC1 2230a_100000211070_100011214892 [0,1,0,1,0,0|2,0,0]=4 31053 B12R1.255 CC(C)CCCNC1CCCC1 2230a_200000737386_100000179811 [0,1,0,1,0,0|2,0,0]=4 31054 B12R1.255 CC(C)CCCNC1CCCC1 270004a_200000737386_100000210133 [0,1,0,1,0,0|2,0,0]=4 31055 B12R1.255 CC(C)CCCNC1CCCC1 34a_100000211070_100011214892 [0,1,0,1,0,0|2,0,0]=4 31056 B12R1.255 CC(C)CCCNC1CCCC1 34a_200000737386_100000179811 [0,1,0,1,0,0|2,0,0]=4 31057 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210269_100011214892 [0,1,0,1,0,0|2,0,0]=4 31058 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210774_100000179811 [0,1,0,1,0,0|2,0,0]=4 31059 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210269_100011214892 [0,1,0,1,0,0|2,0,0]=4 31060 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210774_100000179811 [0,1,0,1,0,0|2,0,0]=4 31061 B12R1.255 CC(C)CCCOC1CCCO1 34a_100000085407_100011214892 [0,1,0,1,0,0|1,0,0]=3 31062 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011214892_100000179811 [0,1,0,1,0,0|2,0,0]=4 31063 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011217020_100011214892 [0,1,0,1,0,0|2,0,0]=4 31064 B12R1.255 CC(C)CCNCC1CCCC1 2230a_100000737975_100000210312 [0,1,0,1,0,0|2,0,0]=4 31065 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000210545_100000746403 [0,1,0,1,0,0|2,0,0]=4 31066 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000737975_100000185833 [0,1,0,1,0,0|2,0,0]=4 31067 B12R1.255 CC(C)CCNCC1CCCC1 34a_100000737975_100000210312 [0,1,0,1,0,0|2,0,0]=4 31068 B12R1.255 CC(C)CCNCC1OCCO1 2230a_100000036311_100000210312 [0,1,0,1,0,0|2,0,0]=4 31069 B12R1.255 CC(C)CCNCC1OCCO1 34a_100000036311_100000210312 [0,1,0,1,0,0|2,0,0]=4 31070 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 2230a_100020590478_100000210312 [0,1,0,1,0,0|1,0,0]=3 31071 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 269862a_100020590478_100000185833 [0,1,0,1,0,0|1,0,0]=3 31072 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 34a_100020590478_100000210312 [0,1,0,1,0,0|1,0,0]=3 31073 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000210254_100000740388 [0,1,0,1,0,0|2,0,0]=4 31074 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000742336_100000210312 [0,1,0,1,0,0|2,0,0]=4 31075 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000210254_100000740388 [0,1,0,1,0,0|2,0,0]=4 31076 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000742336_100000210626 [0,1,0,1,0,0|2,0,0]=4 31077 B12R1.255 CC(C)CCOCC1CCCO1 34a_100000210270_100000210312 [0,1,0,1,0,0|1,0,0]=3 31078 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210254_100000203698 [0,1,0,1,0,0|1,0,0]=3 31079 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210270_100000210626 [0,1,0,1,0,0|1,0,0]=3 31080 B12R1.255 CC(C)CCOCC1COCO1 34a_100011216627_100000210312 [0,1,0,1,0,0|2,0,0]=4 31081 B12R1.255 CC(C)CCOCC1OCCO1 34a_100000087154_100000210312 [0,1,0,1,0,0|2,0,0]=4 31082 B12R1.255 CC(C)CCOCC1OCCO1 34a_100000210254_100000755774 [0,1,0,1,0,0|2,0,0]=4 31083 B12R1.255 CC(C)CCOCC1OCCO1 7a_100000210254_100000755774 [0,1,0,1,0,0|2,0,0]=4 31084 B12R1.255 CC(C)CCOC[C@H]1CCCN1 34a_100000745186_100000210312 [0,1,0,1,0,0|2,0,0]=4 31085 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000210312_100000740388 [0,1,0,1,0,0|2,0,0]=4 31086 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000740388_100000210312 [0,1,0,1,0,0|2,0,0]=4 31087 B12R1.255 CC(C)CCSCC1CCCO1 62a_100000203698_100000210312 [0,1,0,1,0,0|1,0,0]=3 31088 B12R1.255 CC(C)CCSCC1CCCO1 62a_100000210312_100000203698 [0,1,0,1,0,0|1,0,0]=3 31089 B12R1.255 CC(C)CCSCC1OCCO1 62a_100000210312_100000755774 [0,1,0,1,0,0|2,0,0]=4 31090 B12R1.255 CC(C)CCSCC1OCCO1 62a_100000755774_100000210312 [0,1,0,1,0,0|2,0,0]=4 31091 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000210953_100000760354 [0,1,0,1,0,0|2,0,0]=4 31092 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000739158_100000210760 [0,1,0,1,0,0|2,0,0]=4 31093 B12R1.255 CC(C)CNCCC1CCCC1 270004a_100000739158_100000210432 [0,1,0,1,0,0|2,0,0]=4 31094 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000210953_100000760354 [0,1,0,1,0,0|2,0,0]=4 31095 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000739158_100000210624 [0,1,0,1,0,0|2,0,0]=4 31096 B12R1.255 CC(C)CNCCC1OCCO1 2230a_100000034215_100000210760 [0,1,0,1,0,0|2,0,0]=4 31097 B12R1.255 CC(C)CNCCC1OCCO1 2230a_100000210953_100000740749 [0,1,0,1,0,0|2,0,0]=4 31098 B12R1.255 CC(C)CNCCC1OCCO1 270004a_100000034215_100000210432 [0,1,0,1,0,0|2,0,0]=4 31099 B12R1.255 CC(C)CNCCC1OCCO1 34a_100000034215_100000210624 [0,1,0,1,0,0|2,0,0]=4 31100 B12R1.255 CC(C)CNCCC1OCCO1 34a_100000210953_100000740749 [0,1,0,1,0,0|2,0,0]=4 31101 B12R1.255 CC(C)COCCC1CCCC1 34a_100000210257_100000760354 [0,1,0,1,0,0|2,0,0]=4 31102 B12R1.255 CC(C)COCCC1CCCC1 34a_100000749090_100000210624 [0,1,0,1,0,0|2,0,0]=4 31103 B12R1.255 CC(C)COCCC1CCCC1 7a_100000749090_100000210760 [0,1,0,1,0,0|2,0,0]=4 31104 B12R1.255 CC(C)COCCC1OCCO1 34a_100000210257_100000740749 [0,1,0,1,0,0|2,0,0]=4 31105 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000210624_100000760354 [0,1,0,1,0,0|2,0,0]=4 31106 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000760354_100000210760 [0,1,0,1,0,0|2,0,0]=4 31107 B12R1.255 CC(C)CSCCC1OCCO1 62a_100000210624_100000740749 [0,1,0,1,0,0|2,0,0]=4 31108 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100000736752_100000210206 [0,1,0,1,0,0|2,0,0]=4 31109 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100138425928_100011713738 [0,1,0,1,0,0|2,0,0]=4 31110 B12R1.255 CC(C)NCCCC1CCCC1 34a_100000736752_100000210206 [0,1,0,1,0,0|2,0,0]=4 31111 B12R1.255 CC(C)NCCCC1CCCC1 34a_100138425928_100011713738 [0,1,0,1,0,0|2,0,0]=4 31112 B12R1.255 CC(C)NCCCC1OCCO1 2230a_100138425928_100000042513 [0,1,0,1,0,0|2,0,0]=4 31113 B12R1.255 CC(C)NCCCC1OCCO1 34a_100138425928_100009861162 [0,1,0,1,0,0|2,0,0]=4 31114 B12R1.255 CC(C)OCCCC1CCCC1 34a_100000212225_100011713738 [0,1,0,1,0,0|2,0,0]=4 31115 B12R1.255 CC(C)OCCCC1CCCC1 34a_100011215328_100000210206 [0,1,0,1,0,0|2,0,0]=4 31116 B12R1.255 CC(C)OCCCC1CCCC1 7a_100011215328_100000210206 [0,1,0,1,0,0|2,0,0]=4 31117 B12R1.255 CC(C)OCCCC1OCCO1 34a_100000212225_100009861162 [0,1,0,1,0,0|2,0,0]=4 31118 B12R1.255 CC(C)OCCCC1OCCO1 34a_100009871617_100000210206 [0,1,0,1,0,0|2,0,0]=4 31119 B12R1.255 CC(C)OCCCC1OCCO1 7a_100009871617_100000210206 [0,1,0,1,0,0|2,0,0]=4 31120 B12R1.255 CC(C)OCCOC1CCCO1 34a_100000085407_100000211751 [0,1,0,1,0,0|2,0,0]=4 31121 B12R1.255 CC(C)OCNC[C@@H]1CCCO1 2230a_100020590478_100000709892 [0,1,0,1,0,0|2,0,0]=4 31122 B12R1.255 CC(C)OCNC[C@@H]1CCCO1 34a_100020590478_100000709892 [0,1,0,1,0,0|2,0,0]=4 31123 B12R1.255 CC(C)OCOCC1CCCO1 34a_100000210270_100000709892 [0,1,0,1,0,0|2,0,0]=4 31124 B12R1.255 CC(C)OCSCC1CCCO1 62a_100000203698_100000709892 [0,1,0,1,0,0|2,0,0]=4 31125 B12R1.255 CC(C)OCSCC1CCCO1 62a_100000709892_100000203698 [0,1,0,1,0,0|2,0,0]=4 31126 B12R1.255 CC(C)SCCCC1CCCC1 62a_100000210206_100011713738 [0,1,0,1,0,0|2,0,0]=4 31127 B12R1.255 CC(C)SCCCC1CCCC1 62a_100011713738_100000210206 [0,1,0,1,0,0|2,0,0]=4 31128 B12R1.255 CC(C)SCCCC1OCCO1 62a_100000210206_100000042513 [0,1,0,1,0,0|2,0,0]=4 31129 B12R1.255 CC(C)SCCOC1CCCO1 34a_100000085407_100000730970 [0,1,0,1,0,0|2,0,0]=4 31130 B12R1.255 CC(F)COCCC1CCCC1 34a_100015925927_100000760354 [0,1,0,1,0,0|2,0,0]=4 31131 B12R1.255 CC(F)COCCC1OCCO1 34a_100015925927_100000740749 [0,1,0,1,0,0|2,0,0]=4 31132 B12R1.255 CC(O)CCCNC1CCCC1 2230a_100000211070_200000718107 [0,1,0,1,0,0|1,0,0]=3 31133 B12R1.255 CC(O)CCCNC1CCCC1 34a_100000211070_200000718107 [0,1,0,1,0,0|1,0,0]=3 31134 B12R1.255 CC(O)CCCN[C@@H]1CCOC1 2230a_200015188469_200000718107 [0,1,0,1,0,0|2,0,0]=4 31135 B12R1.255 CC(O)CCCN[C@H]1CCOC1 2230a_100015188467_200000718107 [0,1,0,1,0,0|2,0,0]=4 31136 B12R1.255 CC(O)CCCN[C@H]1CCOC1 34a_100015188467_200000718107 [0,1,0,1,0,0|2,0,0]=4 31137 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,1,0,1,0,0|1,0,0]=3 31138 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,1,0,1,0,0|1,0,0]=3 31139 B12R1.255 CC(O)CCCOC1CCCO1 34a_100000085407_200000718107 [0,1,0,1,0,0|1,0,0]=3 31140 B12R1.255 CC(O)CCCOC1CCSC1 7a_100011232664_200000718107 [0,1,0,1,0,0|2,0,0]=4 31141 B12R1.255 CC(O)CCCO[C@H]1CCOC1 34a_100000717292_200000718107 [0,1,0,1,0,0|2,0,0]=4 31142 B12R1.255 CC(O)CCCSC1CCCC1 62a_100011217020_200000718107 [0,1,0,1,0,0|1,0,0]=3 31143 B12R1.255 CC(O)CCCSC1CCCC1 62a_200000718107_100000179811 [0,1,0,1,0,0|1,0,0]=3 31144 B12R1.255 CC(O)CCCSC1CCOC1 62a_200000718107_100000690089 [0,1,0,1,0,0|2,0,0]=4 31145 B12R1.255 CC(O)CCNCC1CCCC1 2230a_100000737975_100012276601 [0,1,0,1,0,0|1,0,0]=3 31146 B12R1.255 CC(O)CCNCC1CCCC1 2230a_200000755665_100000740388 [0,1,0,1,0,0|1,0,0]=3 31147 B12R1.255 CC(O)CCNCC1CCCC1 269862a_200000755665_100000746403 [0,1,0,1,0,0|1,0,0]=3 31148 B12R1.255 CC(O)CCNCC1CCCC1 34a_100000737975_100012276601 [0,1,0,1,0,0|1,0,0]=3 31149 B12R1.255 CC(O)CCNCC1CCCO1 2230a_200000755665_100000203698 [0,1,0,1,0,0|1,0,0]=3 31150 B12R1.255 CC(O)CCNCC1CCOC1 2230a_100000737293_100012276601 [0,1,0,1,0,0|2,0,0]=4 31151 B12R1.255 CC(O)CCNCC1CCOC1 2230a_200000755665_100000702531 [0,1,0,1,0,0|2,0,0]=4 31152 B12R1.255 CC(O)CCNCC1CCOC1 34a_100000737293_100012276601 [0,1,0,1,0,0|2,0,0]=4 31153 B12R1.255 CC(O)CCNCC1OCCO1 2230a_100000036311_100012276601 [0,1,0,1,0,0|2,0,0]=4 31154 B12R1.255 CC(O)CCNCC1OCCO1 2230a_200000755665_100000755774 [0,1,0,1,0,0|2,0,0]=4 31155 B12R1.255 CC(O)CCNCC1OCCO1 34a_100000036311_100012276601 [0,1,0,1,0,0|2,0,0]=4 31156 B12R1.255 CC(O)CCNC[C@@H]1CCCO1 2230a_100020590478_100012276601 [0,1,0,1,0,0|1,0,0]=3 31157 B12R1.255 CC(O)CCNC[C@@H]1CCCO1 34a_100020590478_100012276601 [0,1,0,1,0,0|1,0,0]=3 31158 B12R1.255 CC(O)CCOCC1CCCC1 34a_100000742336_100012276601 [0,1,0,1,0,0|1,0,0]=3 31159 B12R1.255 CC(O)CCOCC1CCCC1 7a_100000742336_100012276601 [0,1,0,1,0,0|1,0,0]=3 31160 B12R1.255 CC(O)CCOCC1CCCO1 34a_100000210270_100012276601 [0,1,0,1,0,0|1,0,0]=3 31161 B12R1.255 CC(O)CCOCC1CCCO1 7a_100000210270_100012276601 [0,1,0,1,0,0|1,0,0]=3 31162 B12R1.255 CC(O)CCOCC1CCNC1 34a_100000748654_100012276601 [0,1,0,1,0,0|2,0,0]=4 31163 B12R1.255 CC(O)CCOCC1CCOC1 34a_100000740260_100012276601 [0,1,0,1,0,0|2,0,0]=4 31164 B12R1.255 CC(O)CCOCC1COCO1 34a_100011216627_100012276601 [0,1,0,1,0,0|2,0,0]=4 31165 B12R1.255 CC(O)CCOCC1OCCO1 34a_100000087154_100012276601 [0,1,0,1,0,0|2,0,0]=4 31166 B12R1.255 CC(O)CCOC[C@H]1CCCN1 34a_100000745186_100012276601 [0,1,0,1,0,0|2,0,0]=4 31167 B12R1.255 CC(O)CCSCC1CCCC1 62a_100000740388_100012276601 [0,1,0,1,0,0|1,0,0]=3 31168 B12R1.255 CC(O)CCSCC1CCCC1 62a_100012276601_100000740388 [0,1,0,1,0,0|1,0,0]=3 31169 B12R1.255 CC(O)CCSCC1CCCO1 62a_100000203698_100012276601 [0,1,0,1,0,0|1,0,0]=3 31170 B12R1.255 CC(O)CCSCC1CCCO1 62a_100012276601_100000203698 [0,1,0,1,0,0|1,0,0]=3 31171 B12R1.255 CC(O)CCSCC1CCOC1 62a_100000702531_100012276601 [0,1,0,1,0,0|2,0,0]=4 31172 B12R1.255 CC(O)CCSCC1CCOC1 62a_100012276601_100000702531 [0,1,0,1,0,0|2,0,0]=4 31173 B12R1.255 CC(O)CCSCC1OCCO1 62a_100000755774_100012276601 [0,1,0,1,0,0|2,0,0]=4 31174 B12R1.255 CC(O)CCSCC1OCCO1 62a_100012276601_100000755774 [0,1,0,1,0,0|2,0,0]=4 31175 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000210904_100000760354 [0,1,0,1,0,0|1,0,0]=3 31176 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000739158_100011218427 [0,1,0,1,0,0|1,0,0]=3 31177 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000210904_100000760354 [0,1,0,1,0,0|1,0,0]=3 31178 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000739158_100011218427 [0,1,0,1,0,0|1,0,0]=3 31179 B12R1.255 CC(O)CNCCC1OCCO1 2230a_100000034215_100011218427 [0,1,0,1,0,0|2,0,0]=4 31180 B12R1.255 CC(O)CNCCC1OCCO1 2230a_100000210904_100000740749 [0,1,0,1,0,0|2,0,0]=4 31181 B12R1.255 CC(O)CNCCC1OCCO1 34a_100000034215_100011218427 [0,1,0,1,0,0|2,0,0]=4 31182 B12R1.255 CC(O)CNCCC1OCCO1 34a_100000210904_100000740749 [0,1,0,1,0,0|2,0,0]=4 31183 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,1,0,1,0,0|1,0,0]=3 31184 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,1,0,1,0,0|1,0,0]=3 31185 B12R1.255 CC(O)COCCC1CCNC1 34a_100016987287_100011218427 [0,1,0,1,0,0|2,0,0]=4 31186 B12R1.255 CC(O)COCCC1CCOC1 34a_100011879284_100011218427 [0,1,0,1,0,0|2,0,0]=4 31187 B12R1.255 CC(O)CSCCC1CCCC1 62a_100000760354_100011218427 [0,1,0,1,0,0|1,0,0]=3 31188 B12R1.255 CC(O)CSCCC1CCCC1 62a_100011218427_100000760354 [0,1,0,1,0,0|1,0,0]=3 31189 B12R1.255 CC(O)CSCCC1OCCO1 62a_100011218427_100000740749 [0,1,0,1,0,0|2,0,0]=4 31190 B12R1.255 CC(O)CSCCN1CCCC1 62a_100000700749_100011218427 [0,1,0,1,0,0|2,0,0]=4 31191 B12R1.255 CC(O)CSCCN1CCCC1 62a_100011218427_100000004467 [0,1,0,1,0,0|2,0,0]=4 31192 B12R1.255 CN(C)CCCCC1OCCO1 2230a_100102631434_100000034956 [0,1,0,1,0,0|2,0,0]=4 31193 B12R1.255 CN(C)CCCCC1OCCO1 269982a_100102631434_100000034956 [0,1,0,1,0,0|2,0,0]=4 31194 B12R1.255 CN(C)CCOCC1CCCO1 7a_100000210270_100000755713 [0,1,0,1,0,0|2,0,0]=4 31195 B12R1.255 CN(C)CCSCC1CCCO1 62a_100000203698_100000755713 [0,1,0,1,0,0|2,0,0]=4 31196 B12R1.255 C[C@@H](Cl)COCCC1CCCC1 34a_100016084084_100000760354 [0,1,0,1,0,0|2,0,0]=4 31197 B12R1.255 C[C@@H](Cl)COCCC1OCCO1 34a_100016084084_100000740749 [0,1,0,1,0,0|2,0,0]=4 31198 B12R1.255 C[C@@H](N)CCOCC1CCCC1 34a_100000706166_100000740388 [0,1,0,1,0,0|2,0,0]=4 31199 B12R1.255 C[C@@H](N)CCOCC1OCCO1 34a_100000706166_100000755774 [0,1,0,1,0,0|2,0,0]=4 31200 B12R1.255 C[C@@H](N)COCCC1CCCC1 34a_100000737577_100000760354 [0,1,0,1,0,0|2,0,0]=4 31201 B12R1.255 C[C@@H](N)COCCC1OCCO1 34a_100000737577_100000740749 [0,1,0,1,0,0|2,0,0]=4 31202 B12R1.255 C[C@@H](O)CNCCC1CCCC1 2230a_100000739158_100009817552 [0,1,0,1,0,0|1,0,0]=3 31203 B12R1.255 C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100009817552 [0,1,0,1,0,0|1,0,0]=3 31204 B12R1.255 C[C@@H](O)CNCCC1OCCO1 2230a_100000034215_100009817552 [0,1,0,1,0,0|2,0,0]=4 31205 B12R1.255 C[C@@H](O)CNCCC1OCCO1 34a_100000034215_100009817552 [0,1,0,1,0,0|2,0,0]=4 31206 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,1,0,1,0,0|1,0,0]=3 31207 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,1,0,1,0,0|1,0,0]=3 31208 B12R1.255 C[C@@H](O)COCCC1CCNC1 34a_100016987287_100009817552 [0,1,0,1,0,0|2,0,0]=4 31209 B12R1.255 C[C@@H](O)COCCC1CCOC1 34a_100011879284_100009817552 [0,1,0,1,0,0|2,0,0]=4 31210 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100009817552 [0,1,0,1,0,0|1,0,0]=3 31211 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100009817552_100000760354 [0,1,0,1,0,0|1,0,0]=3 31212 B12R1.255 C[C@@H](O)CSCCC1OCCO1 62a_100009817552_100000740749 [0,1,0,1,0,0|2,0,0]=4 31213 B12R1.255 C[C@@H](O)CSCCN1CCCC1 62a_100000700749_100009817552 [0,1,0,1,0,0|2,0,0]=4 31214 B12R1.255 C[C@@H](O)CSCCN1CCCC1 62a_100009817552_100000004467 [0,1,0,1,0,0|2,0,0]=4 31215 B12R1.255 FC(F)CCOCC1CCCC1 34a_100103093639_100000740388 [0,1,0,1,0,0|2,0,0]=4 31216 B12R1.255 FC(F)CNCCC1CCCC1 2230a_100000739158_100011934356 [0,1,0,1,0,0|2,0,0]=4 31217 B12R1.255 FC(F)CNCCC1CCCC1 34a_100000739158_100011934356 [0,1,0,1,0,0|2,0,0]=4 31218 B12R1.255 FC(F)CNCCC1CCCC1 34a_100000765723_100000760354 [0,1,0,1,0,0|2,0,0]=4 31219 B12R1.255 FC(F)COCCC1CCCC1 34a_100000743014_100000760354 [0,1,0,1,0,0|2,0,0]=4 31220 B12R1.255 FC(F)COCCC1CCCC1 34a_100000749090_100011934356 [0,1,0,1,0,0|2,0,0]=4 31221 B12R1.255 FC(F)COCCC1CCCC1 7a_100000749090_100011934356 [0,1,0,1,0,0|2,0,0]=4 31222 B12R1.255 FC(F)CSCCC1CCCC1 62a_100000760354_100011934356 [0,1,0,1,0,0|2,0,0]=4 31223 B12R1.255 FC(F)CSCCC1CCCC1 62a_100011934356_100000760354 [0,1,0,1,0,0|2,0,0]=4 31224 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,1,0,1,0,0|1,0,1]=4 31225 B12R1.255 OB(O)CCCCN1CCCC1 2230a_100000188435_200009817182 [0,1,0,1,0,0|2,0,0]=4 31226 B12R1.255 OB(O)CCCCN1CCCC1 269982a_100000188435_200009817182 [0,1,0,1,0,0|2,0,0]=4 31227 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,1,0,1,0,0|1,0,1]=4 31228 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,1,0,1,0,0|1,0,1]=4 31229 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,1,0,1,0,0|1,0,1]=4 31230 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,1,0,1,0,0|1,0,1]=4 31231 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,1,0,1,0,0|1,0,1]=4 31232 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,1,0,1,0,0|1,0,1]=4 31233 B12R1.257 CC(C)CCCCCN1CCC1 269982a_100000754969_100000210682 [0,1,0,1,0,0|2,0,0]=4 31234 B12R1.257 CC(C)CCCCNC1CCC1 2230a_100000749019_100011216152 [0,1,0,1,0,0|2,0,0]=4 31235 B12R1.257 CC(C)CCCCNC1CCC1 34a_100000749019_100011216152 [0,1,0,1,0,0|2,0,0]=4 31236 B12R1.257 CC(C)CCCCOC1CCC1 34a_100000748187_100011216152 [0,1,0,1,0,0|2,0,0]=4 31237 B12R1.257 CC(C)CCCCOC1CCC1 34a_100011214890_100000749161 [0,1,0,1,0,0|2,0,0]=4 31238 B12R1.257 CC(C)CCCCSC1CCC1 62a_100011216152_100000749161 [0,1,0,1,0,0|2,0,0]=4 31239 B12R1.257 CC(C)CCCNCC1CCC1 2230a_100000738700_100011214892 [0,1,0,1,0,0|2,0,0]=4 31240 B12R1.257 CC(C)CCCNCC1CCC1 2230a_200000737386_100000763275 [0,1,0,1,0,0|2,0,0]=4 31241 B12R1.257 CC(C)CCCNCC1CCC1 269862a_200000737386_100000753134 [0,1,0,1,0,0|2,0,0]=4 31242 B12R1.257 CC(C)CCCNCC1CCC1 34a_100000738700_100011214892 [0,1,0,1,0,0|2,0,0]=4 31243 B12R1.257 CC(C)CCCNCC1CCC1 34a_200000737386_100000763275 [0,1,0,1,0,0|2,0,0]=4 31244 B12R1.257 CC(C)CCCNCC1CCO1 2230a_200000737386_100000103362 [0,1,0,1,0,0|1,0,0]=3 31245 B12R1.257 CC(C)CCCNCC1CCO1 34a_200000737386_100000103362 [0,1,0,1,0,0|1,0,0]=3 31246 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 2230a_100020831831_100011214892 [0,1,0,1,0,0|1,0,0]=3 31247 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 34a_100020831831_100011214892 [0,1,0,1,0,0|1,0,0]=3 31248 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000210774_100000763275 [0,1,0,1,0,0|2,0,0]=4 31249 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000760304_100011214892 [0,1,0,1,0,0|2,0,0]=4 31250 B12R1.257 CC(C)CCCOCC1CCC1 7a_100000210774_100000763275 [0,1,0,1,0,0|2,0,0]=4 31251 B12R1.257 CC(C)CCCOCC1CCO1 34a_100000039022_100011214892 [0,1,0,1,0,0|1,0,0]=3 31252 B12R1.257 CC(C)CCCOCC1CCO1 34a_100000210774_100000103362 [0,1,0,1,0,0|1,0,0]=3 31253 B12R1.257 CC(C)CCCOCC1CCO1 7a_100000210774_100000103362 [0,1,0,1,0,0|1,0,0]=3 31254 B12R1.257 CC(C)CCCSCC1CCC1 62a_100000763275_100011214892 [0,1,0,1,0,0|2,0,0]=4 31255 B12R1.257 CC(C)CCCSCC1CCC1 62a_100011214892_100000763275 [0,1,0,1,0,0|2,0,0]=4 31256 B12R1.257 CC(C)CCCSCC1CCO1 62a_100000103362_100011214892 [0,1,0,1,0,0|1,0,0]=3 31257 B12R1.257 CC(C)CCCSCC1CCO1 62a_100011214892_100000103362 [0,1,0,1,0,0|1,0,0]=3 31258 B12R1.257 CC(C)NCCOCC1CCO1 34a_100000224655_100000103362 [0,1,0,1,0,0|2,0,0]=4 31259 B12R1.257 CC(C)OCCNCC1CCO1 2230a_100000701111_100000103362 [0,1,0,1,0,0|2,0,0]=4 31260 B12R1.257 CC(C)OCCNCC1CCO1 34a_100000701111_100000103362 [0,1,0,1,0,0|2,0,0]=4 31261 B12R1.257 CC(C)OCCNC[C@@H]1CCO1 2230a_100020831831_100000211751 [0,1,0,1,0,0|2,0,0]=4 31262 B12R1.257 CC(C)OCCNC[C@@H]1CCO1 34a_100020831831_100000211751 [0,1,0,1,0,0|2,0,0]=4 31263 B12R1.257 CC(C)OCCOCC1CCO1 34a_100000039022_100000211751 [0,1,0,1,0,0|2,0,0]=4 31264 B12R1.257 CC(C)OCCOCC1CCO1 34a_100000211219_100000103362 [0,1,0,1,0,0|2,0,0]=4 31265 B12R1.257 CC(C)OCCOCC1CCO1 7a_100000211219_100000103362 [0,1,0,1,0,0|2,0,0]=4 31266 B12R1.257 CC(C)OCCSCC1CCO1 62a_100000103362_100000211751 [0,1,0,1,0,0|2,0,0]=4 31267 B12R1.257 CC(C)OCCSCC1CCO1 62a_100000211751_100000103362 [0,1,0,1,0,0|2,0,0]=4 31268 B12R1.257 CC(C)SCCNCC1CCO1 2230a_100000731138_100000103362 [0,1,0,1,0,0|2,0,0]=4 31269 B12R1.257 CC(C)SCCNCC1CCO1 34a_100000731138_100000103362 [0,1,0,1,0,0|2,0,0]=4 31270 B12R1.257 CC(C)SCCNC[C@@H]1CCO1 2230a_100020831831_100000730970 [0,1,0,1,0,0|2,0,0]=4 31271 B12R1.257 CC(C)SCCNC[C@@H]1CCO1 34a_100020831831_100000730970 [0,1,0,1,0,0|2,0,0]=4 31272 B12R1.257 CC(C)SCCOCC1CCO1 34a_100000039022_100000730970 [0,1,0,1,0,0|2,0,0]=4 31273 B12R1.257 CC(C)SCCOCC1CCO1 34a_200011212901_100000103362 [0,1,0,1,0,0|2,0,0]=4 31274 B12R1.257 CC(C)SCCOCC1CCO1 7a_200011212901_100000103362 [0,1,0,1,0,0|2,0,0]=4 31275 B12R1.257 CC(C)SCCSCC1CCO1 62a_100000103362_100000730970 [0,1,0,1,0,0|2,0,0]=4 31276 B12R1.257 CC(C)SCCSCC1CCO1 62a_100000730970_100000103362 [0,1,0,1,0,0|2,0,0]=4 31277 B12R1.257 CC(O)CCCNCC1CCC1 2230a_100000738700_200000718107 [0,1,0,1,0,0|1,0,0]=3 31278 B12R1.257 CC(O)CCCNCC1CCC1 34a_100000738700_200000718107 [0,1,0,1,0,0|1,0,0]=3 31279 B12R1.257 CC(O)CCCNCC1COC1 2230a_100015281925_200000718107 [0,1,0,1,0,0|2,0,0]=4 31280 B12R1.257 CC(O)CCCNCC1COC1 34a_100015281925_200000718107 [0,1,0,1,0,0|2,0,0]=4 31281 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 2230a_100020831831_200000718107 [0,1,0,1,0,0|1,0,0]=3 31282 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 34a_100020831831_200000718107 [0,1,0,1,0,0|1,0,0]=3 31283 B12R1.257 CC(O)CCCOCC1CCC1 34a_100000760304_200000718107 [0,1,0,1,0,0|1,0,0]=3 31284 B12R1.257 CC(O)CCCOCC1CCO1 34a_100000039022_200000718107 [0,1,0,1,0,0|1,0,0]=3 31285 B12R1.257 CC(O)CCCOCC1CNC1 34a_100016987283_200000718107 [0,1,0,1,0,0|2,0,0]=4 31286 B12R1.257 CC(O)CCCOCC1COC1 34a_100000060846_200000718107 [0,1,0,1,0,0|2,0,0]=4 31287 B12R1.257 CC(O)CCCSCC1CCC1 62a_100000763275_200000718107 [0,1,0,1,0,0|1,0,0]=3 31288 B12R1.257 CC(O)CCCSCC1CCC1 62a_200000718107_100000763275 [0,1,0,1,0,0|1,0,0]=3 31289 B12R1.257 CC(O)CCCSCC1CCO1 62a_100000103362_200000718107 [0,1,0,1,0,0|1,0,0]=3 31290 B12R1.257 CC(O)CCCSCC1CCO1 62a_200000718107_100000103362 [0,1,0,1,0,0|1,0,0]=3 31291 B12R1.257 CC(O)CCCSCC1COC1 62a_100010264016_200000718107 [0,1,0,1,0,0|2,0,0]=4 31292 B12R1.257 CC(O)CCCSCC1COC1 62a_200000718107_100010264016 [0,1,0,1,0,0|2,0,0]=4 31293 B12R1.257 CC(O)CCOCCC1COC1 34a_100009855314_100012276601 [0,1,0,1,0,0|2,0,0]=4 31294 B12R1.257 CN(C)CCCSCC1CCO1 62a_100000103362_100000757444 [0,1,0,1,0,0|2,0,0]=4 31295 B12R1.257 CS(=O)CCCNCC1CCO1 2230a_200000753449_100000103362 [0,1,0,1,0,0|2,0,0]=4 31296 B12R1.257 OB(O)CCCCCN1CCC1 269982a_100000754969_200009817188 [0,1,0,1,0,0|2,0,0]=4 31297 B12R1.257 OB(O)CCCCNC1CCC1 2230a_100000749019_200009817182 [0,1,0,1,0,0|2,0,0]=4 31298 B12R1.257 OB(O)CCCCNC1CCC1 34a_100000749019_200009817182 [0,1,0,1,0,0|2,0,0]=4 31299 B12R1.257 OB(O)CCCCOC1CCC1 34a_100000748187_200009817182 [0,1,0,1,0,0|2,0,0]=4 31300 B12R1.257 OB(O)CCCCSC1CCC1 62a_200009817182_100000749161 [0,1,0,1,0,0|2,0,0]=4 31301 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,1,0,1,0,0|1,0,1]=4 31302 B12R1.283 CC(C)C1CCCCC1OCF 34a_100011709184_100015361967 [0,1,0,1,0,0|2,0,0]=4 31303 B12R1.283 CC(C)C1CCCCC1OCF 7a_100011709184_100015361967 [0,1,0,1,0,0|2,0,0]=4 31304 B12R1.283 CC(C)C1CCCCN1CCF 2230a_100000757267_100011217306 [0,1,0,1,0,0|2,0,0]=4 31305 B12R1.283 CC(C)C1CCCCN1CCF 269982a_100000757267_100011217306 [0,1,0,1,0,0|2,0,0]=4 31306 B12R1.283 CC(C)C1CCCCN1CCF 34a_100000757267_100011217306 [0,1,0,1,0,0|2,0,0]=4 31307 B12R1.283 CC(C)C1CCCCN1CCO 2230a_100000757267_100000211926 [0,1,0,1,0,0|1,0,0]=3 31308 B12R1.283 CC(C)C1CCCCN1CCO 269982a_100000757267_100000211926 [0,1,0,1,0,0|1,0,0]=3 31309 B12R1.283 CC(C)C1CCCCN1CCO 34a_100000757267_100000211926 [0,1,0,1,0,0|1,0,0]=3 31310 B12R1.283 CC(C)N1CCCCC1CCO 2230a_100000211664_100000210206 [0,1,0,1,0,0|1,0,0]=3 31311 B12R1.283 CC(C)N1CCCCC1CCO 269982a_100000211664_100000210206 [0,1,0,1,0,0|1,0,0]=3 31312 B12R1.283 CC(C)N1CCCCC1CCO 34a_100000211664_100000210206 [0,1,0,1,0,0|1,0,0]=3 31313 B12R1.283 CC(C)[C@H]1COCCN1CCO 2230a_100025712635_100000211926 [0,1,0,1,0,0|2,0,0]=4 31314 B12R1.283 CC(C)[C@H]1COCCN1CCO 269982a_100025712635_100000211926 [0,1,0,1,0,0|2,0,0]=4 31315 B12R1.283 CC(C)[C@H]1COCCN1CCO 34a_100025712635_100000211926 [0,1,0,1,0,0|2,0,0]=4 31316 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [0,1,0,1,0,0|2,0,0]=4 31317 B12R1.283 CCCC1CCCCN1C(C)C 2230a_100000701414_100000210206 [0,1,0,1,0,0|2,0,0]=4 31318 B12R1.283 CCCC1CCCCN1C(C)C 269982a_100000701414_100000210206 [0,1,0,1,0,0|2,0,0]=4 31319 B12R1.283 CCCC1CCCCN1C(C)C 34a_100000701414_100000210206 [0,1,0,1,0,0|2,0,0]=4 31320 B12R1.283 CCCN1CCCCC1C(C)C 2230a_100000757267_100000210303 [0,1,0,1,0,0|2,0,0]=4 31321 B12R1.283 CCCN1CCCCC1C(C)C 269982a_100000757267_100000210303 [0,1,0,1,0,0|2,0,0]=4 31322 B12R1.283 CCCN1CCCCC1C(C)C 34a_100000757267_100000210303 [0,1,0,1,0,0|2,0,0]=4 31323 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|1,0,1]=4 31324 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,1,0,1,0,0|1,0,1]=4 31325 B12R1.283 CCOC1CCCCC1C(C)C 34a_100011709184_100000210202 [0,1,0,1,0,0|2,0,0]=4 31326 B12R1.283 CCOC1CCCCC1C(C)C 7a_100011709184_100000210202 [0,1,0,1,0,0|2,0,0]=4 31327 B12R1.289 CC(C)CC1CCCN1CCF 2230a_100000748429_100011217306 [0,1,0,1,0,0|2,0,0]=4 31328 B12R1.289 CC(C)CC1CCCN1CCF 269982a_100000748429_100011217306 [0,1,0,1,0,0|2,0,0]=4 31329 B12R1.289 CC(C)CC1CCCN1CCF 34a_100000748429_100011217306 [0,1,0,1,0,0|2,0,0]=4 31330 B12R1.289 CC(C)CC1CCCN1CCO 2230a_100000748429_100000211926 [0,1,0,1,0,0|1,0,0]=3 31331 B12R1.289 CC(C)CC1CCCN1CCO 269982a_100000748429_100000211926 [0,1,0,1,0,0|1,0,0]=3 31332 B12R1.289 CC(C)CC1CCCN1CCO 34a_100000748429_100000211926 [0,1,0,1,0,0|1,0,0]=3 31333 B12R1.289 CCCN1CCCC1CC(C)C 2230a_100000748429_100000210303 [0,1,0,1,0,0|2,0,0]=4 31334 B12R1.289 CCCN1CCCC1CC(C)C 269982a_100000748429_100000210303 [0,1,0,1,0,0|2,0,0]=4 31335 B12R1.289 CCCN1CCCC1CC(C)C 34a_100000748429_100000210303 [0,1,0,1,0,0|2,0,0]=4 31336 B12R1.289 CN(C)C[C@H]1CCCN1CCO 269982a_200020645772_100000211926 [0,1,0,1,0,0|2,0,0]=4 31337 B12R1.289 COC[C@@H]1CCCN1CC(C)O 2230a_100020646714_100011218427 [0,1,0,1,0,0|2,0,0]=4 31338 B12R1.289 COC[C@@H]1CCCN1CC(C)O 269982a_100020646714_100011218427 [0,1,0,1,0,0|2,0,0]=4 31339 B12R1.289 COC[C@@H]1CCCN1CC(C)O 34a_100020646714_100011218427 [0,1,0,1,0,0|2,0,0]=4 31340 B12R1.289 COC[C@@H]1CCCN1C[C@@H](C)O 2230a_100020646714_100009817552 [0,1,0,1,0,0|2,0,0]=4 31341 B12R1.289 COC[C@@H]1CCCN1C[C@@H](C)O 269982a_100020646714_100009817552 [0,1,0,1,0,0|2,0,0]=4 31342 B12R1.289 COC[C@@H]1CCCN1C[C@@H](C)O 34a_100020646714_100009817552 [0,1,0,1,0,0|2,0,0]=4 31343 B12R1.384 CC1(CCCCC1NCCF)C 269862a_100000724931_100000031690 [0,1,0,1,0,0|2,0,0]=4 31344 B12R1.384 CC1(CCCCC1NCCO)C 269862a_100000210304_100000031690 [0,1,0,1,0,0|1,0,0]=3 31345 B12R1.384 CC1(CNCCC1NCCO)C 269862a_100000210304_100015191249 [0,1,0,1,0,0|2,0,0]=4 31346 B12R1.384 CC1(CNCCC1OCCO)C 34a_100000709803_100000211926 [0,1,0,1,0,0|2,0,0]=4 31347 B12R1.384 CC1(COCCN1CCCO)C 2230a_100000724681_100000230001 [0,1,0,1,0,0|2,0,0]=4 31348 B12R1.384 CC1(COCCN1CCCO)C 269982a_100000724681_100011215043 [0,1,0,1,0,0|2,0,0]=4 31349 B12R1.384 CC1(COCCN1CCCO)C 34a_100000724681_100000230001 [0,1,0,1,0,0|2,0,0]=4 31350 B12R1.384 CCCNC1CCCCC1(C)C 269862a_100020643023_100000031690 [0,1,0,1,0,0|2,0,0]=4 31351 B12R1.384 CCCNC1CCCCC1(F)F 2230a_100000686509_100000210303 [0,1,0,1,0,0|2,0,0]=4 31352 B12R1.384 CCCNC1CCCCC1(F)F 34a_100000686509_100000210303 [0,1,0,1,0,0|2,0,0]=4 31353 B12R1.384 CCCOC1CCCCC1(F)F 34a_100000210258_200009832135 [0,1,0,1,0,0|2,0,0]=4 31354 B12R1.384 CCCSC1CCCCC1(F)F 62a_100000210303_200009832135 [0,1,0,1,0,0|2,0,0]=4 31355 B12R1.384 CCCSC1CCCCC1(F)F 62a_200009832135_100000210303 [0,1,0,1,0,0|2,0,0]=4 31356 B12R1.384 OCCNC1CCCCC1(F)F 2230a_100000686509_100000211926 [0,1,0,1,0,0|2,0,0]=4 31357 B12R1.384 OCCNC1CCCCC1(F)F 34a_100000686509_100000211926 [0,1,0,1,0,0|2,0,0]=4 31358 B12R1.384 OCCNC1CCCCC1(F)F 34a_100016990907_200009832135 [0,1,0,1,0,0|2,0,0]=4 31359 B12R1.384 OCCSC1CCCCC1(F)F 62a_100000211926_200009832135 [0,1,0,1,0,0|2,0,0]=4 31360 B12R1.384 OCCSC1CCCCC1(F)F 62a_200009832135_100000211926 [0,1,0,1,0,0|2,0,0]=4 31361 B12R1.386 CC(C)C1CCCN1CCCF 2230a_100000762757_100011934791 [0,1,0,1,0,0|2,0,0]=4 31362 B12R1.386 CC(C)C1CCCN1CCCF 269982a_100000762757_100011934791 [0,1,0,1,0,0|2,0,0]=4 31363 B12R1.386 CC(C)C1CCCN1CCCF 34a_100000762757_100011934791 [0,1,0,1,0,0|2,0,0]=4 31364 B12R1.386 CC(C)C1CCCN1CCCO 2230a_100000762757_100000230001 [0,1,0,1,0,0|1,0,0]=3 31365 B12R1.386 CC(C)C1CCCN1CCCO 269982a_100000762757_100011215043 [0,1,0,1,0,0|1,0,0]=3 31366 B12R1.386 CC(C)C1CCCN1CCCO 34a_100000762757_100000230001 [0,1,0,1,0,0|1,0,0]=3 31367 B12R1.386 CCCCC1CCCC1N(C)C 270004a_100102631434_100000750825 [0,1,0,1,0,0|2,0,0]=4 31368 B12R1.386 CCCCN1CCCC1C(C)C 2230a_100000762757_100000210211 [0,1,0,1,0,0|2,0,0]=4 31369 B12R1.386 CCCCN1CCCC1C(C)C 269982a_100000762757_100000210211 [0,1,0,1,0,0|2,0,0]=4 31370 B12R1.386 CCCCN1CCCC1C(C)C 34a_100000762757_100000210210 [0,1,0,1,0,0|2,0,0]=4 31371 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,1,0,1,0,0|1,0,1]=4 31372 B12R1.390 C=C(C)CCOCCCC1CO1 34a_100000764851_100000733510 [0,1,0,1,0,0|1,0,1]=4 31373 B12R1.390 C=C(C)CCSCCCC1CO1 62a_100000730704_100000733510 [0,1,0,1,0,0|1,0,1]=4 31374 B12R1.390 C=C(C)CCSCCCC1CO1 62a_100000733510_100000730704 [0,1,0,1,0,0|1,0,1]=4 31375 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,1,0,1,0,0|1,0,1]=4 31376 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,1,0,1,0,0|1,0,1]=4 31377 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,1,0,1,0,0|1,0,1]=4 31378 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,1,0,1,0,0|1,0,1]=4 31379 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,1,0,1,0,0|1,0,1]=4 31380 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,1,0,1,0,0|1,0,1]=4 31381 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,1,0,1,0,0|1,0,1]=4 31382 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,1,0,1,0,0|1,0,1]=4 31383 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,1,0,1,0,0|1,0,1]=4 31384 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,1,0,1,0,0|1,0,1]=4 31385 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,1,0,1,0,0|1,0,1]=4 31386 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,1,0,1,0,0|1,0,1]=4 31387 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,1,0,1,0,0|1,0,1]=4 31388 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,1,0,1,0,0|1,0,1]=4 31389 B12R1.390 CC(Br)CCOCCCC1CO1 34a_100009893172_100000733510 [0,1,0,1,0,0|1,0,0]=3 31390 B12R1.390 CC(C)CCCCCNC1CC1 34a_100000212008_100000210682 [0,1,0,1,0,0|2,0,0]=4 31391 B12R1.390 CC(C)CCCCCNC1CC1 34a_100011290863_100000211595 [0,1,0,1,0,0|2,0,0]=4 31392 B12R1.390 CC(C)CCCCCOC1CC1 34a_100011995859_100000211595 [0,1,0,1,0,0|2,0,0]=4 31393 B12R1.390 CC(C)CCCCCSC1CC1 62a_100000210682_100000211595 [0,1,0,1,0,0|2,0,0]=4 31394 B12R1.390 CC(C)CCCCNCC1CC1 2230a_100000735609_100011216152 [0,1,0,1,0,0|2,0,0]=4 31395 B12R1.390 CC(C)CCCCNCC1CC1 34a_100000735609_100011216152 [0,1,0,1,0,0|2,0,0]=4 31396 B12R1.390 CC(C)CCCCOCC1CC1 34a_100000211283_100011216152 [0,1,0,1,0,0|2,0,0]=4 31397 B12R1.390 CC(C)CCCCOCC1CC1 34a_100011214890_100000742324 [0,1,0,1,0,0|2,0,0]=4 31398 B12R1.390 CC(C)CCCCOCC1CC1 7a_100011214890_100000742324 [0,1,0,1,0,0|2,0,0]=4 31399 B12R1.390 CC(C)CCCCOCC1CO1 34a_100011214890_102125554688 [0,1,0,1,0,0|1,0,0]=3 31400 B12R1.390 CC(C)CCCCOCC1CO1 7a_100011214890_102125554688 [0,1,0,1,0,0|1,0,0]=3 31401 B12R1.390 CC(C)CCCCOCC1CS1 7a_100011214890_100000031435 [0,1,0,1,0,0|1,1,0]=4 31402 B12R1.390 CC(C)CCCCOC[C@@H]1CO1 34a_100000757423_100011216152 [0,1,0,1,0,0|1,0,0]=3 31403 B12R1.390 CC(C)CCCCOC[C@@H]1CO1 7a_100011214890_100000745022 [0,1,0,1,0,0|1,0,0]=3 31404 B12R1.390 CC(C)CCCCSCC1CC1 62a_100000756562_100011216152 [0,1,0,1,0,0|2,0,0]=4 31405 B12R1.390 CC(C)CCCCSCC1CC1 62a_100011216152_100000742324 [0,1,0,1,0,0|2,0,0]=4 31406 B12R1.390 CC(C)CCCCSCC1CO1 62a_100011216152_102125554688 [0,1,0,1,0,0|1,0,0]=3 31407 B12R1.390 CC(C)CCCCSCC1CO1 62a_102125554688_100011216152 [0,1,0,1,0,0|1,0,0]=3 31408 B12R1.390 CC(C)CCCCSCC1CS1 62a_100000031435_100011216152 [0,1,0,1,0,0|1,1,0]=4 31409 B12R1.390 CC(C)CCCCSCC1CS1 62a_100011216152_100000031435 [0,1,0,1,0,0|1,1,0]=4 31410 B12R1.390 CC(C)CCCCSC[C@@H]1CO1 62a_100000745022_100011216152 [0,1,0,1,0,0|1,0,0]=3 31411 B12R1.390 CC(C)CCCCSC[C@@H]1CO1 62a_100011216152_100000745022 [0,1,0,1,0,0|1,0,0]=3 31412 B12R1.390 CC(C)CCCNCCC1CC1 2230a_200000737386_100000694398 [0,1,0,1,0,0|2,0,0]=4 31413 B12R1.390 CC(C)CCCNCCC1CC1 34a_100000764129_100011214892 [0,1,0,1,0,0|2,0,0]=4 31414 B12R1.390 CC(C)CCCNCCC1CC1 34a_200000737386_100000694398 [0,1,0,1,0,0|2,0,0]=4 31415 B12R1.390 CC(C)CCCNCCC1CO1 2230a_200000737386_100000732470 [0,1,0,1,0,0|1,0,0]=3 31416 B12R1.390 CC(C)CCCNCCC1CO1 34a_200000737386_100000732470 [0,1,0,1,0,0|1,0,0]=3 31417 B12R1.390 CC(C)CCCOCCC1CC1 34a_100000210774_100000694398 [0,1,0,1,0,0|2,0,0]=4 31418 B12R1.390 CC(C)CCCOCCC1CC1 34a_100000754188_100011214892 [0,1,0,1,0,0|2,0,0]=4 31419 B12R1.390 CC(C)CCCOCCC1CC1 7a_100000210774_100000764125 [0,1,0,1,0,0|2,0,0]=4 31420 B12R1.390 CC(C)CCCOCCC1CC1 7a_100000754188_100011214892 [0,1,0,1,0,0|2,0,0]=4 31421 B12R1.390 CC(C)CCCOCCC1CO1 34a_100000210774_100000732470 [0,1,0,1,0,0|1,0,0]=3 31422 B12R1.390 CC(C)CCCOCCC1CO1 7a_100000210774_100000732470 [0,1,0,1,0,0|1,0,0]=3 31423 B12R1.390 CC(C)CCCOCC[C@@H]1CO1 34a_100009820653_100011214892 [0,1,0,1,0,0|1,0,0]=3 31424 B12R1.390 CC(C)CCCSCCC1CC1 62a_100000764125_100011214892 [0,1,0,1,0,0|2,0,0]=4 31425 B12R1.390 CC(C)CCCSCCC1CC1 62a_100011214892_100000764125 [0,1,0,1,0,0|2,0,0]=4 31426 B12R1.390 CC(C)CCCSCCC1CO1 62a_100000732470_100011214892 [0,1,0,1,0,0|1,0,0]=3 31427 B12R1.390 CC(C)CCCSCCC1CO1 62a_100011214892_100000732470 [0,1,0,1,0,0|1,0,0]=3 31428 B12R1.390 CC(C)CCOCCCC1CO1 34a_100000210254_100000733510 [0,1,0,1,0,0|1,0,0]=3 31429 B12R1.390 CC(C)CCOCCCC1CO1 7a_100000210254_100000733510 [0,1,0,1,0,0|1,0,0]=3 31430 B12R1.390 CC(C)CCSCCCC1CO1 62a_100000210312_100000733510 [0,1,0,1,0,0|1,0,0]=3 31431 B12R1.390 CC(C)CCSCCCC1CO1 62a_100000733510_100000210312 [0,1,0,1,0,0|1,0,0]=3 31432 B12R1.390 CC(C)CNCCOCC1CO1 34a_100015185251_102125554688 [0,1,0,1,0,0|2,0,0]=4 31433 B12R1.390 CC(C)COCCOCC1CO1 34a_100000703358_102125554688 [0,1,0,1,0,0|2,0,0]=4 31434 B12R1.390 CC(C)COCCOCC1CO1 7a_100000703358_102125554688 [0,1,0,1,0,0|2,0,0]=4 31435 B12R1.390 CC(C)COCCOC[C@@H]1CO1 7a_100000703358_100000745022 [0,1,0,1,0,0|2,0,0]=4 31436 B12R1.390 CC(C)CSCCOCC1CO1 34a_200000230437_102125554688 [0,1,0,1,0,0|2,0,0]=4 31437 B12R1.390 CC(C)CSCCOCC1CO1 7a_200000230437_102125554688 [0,1,0,1,0,0|2,0,0]=4 31438 B12R1.390 CC(C)CSCCOC[C@@H]1CO1 7a_200000230437_100000745022 [0,1,0,1,0,0|2,0,0]=4 31439 B12R1.390 CC(C)NCCCOCC1CO1 34a_100000182298_102125554688 [0,1,0,1,0,0|2,0,0]=4 31440 B12R1.390 CC(C)NCCOCCC1CO1 34a_100000224655_100000732470 [0,1,0,1,0,0|2,0,0]=4 31441 B12R1.390 CC(C)OCCCNCC1CO1 2230a_100000737246_100011216344 [0,1,0,1,0,0|2,0,0]=4 31442 B12R1.390 CC(C)OCCCNCC1CO1 34a_100000737246_102125554688 [0,1,0,1,0,0|2,0,0]=4 31443 B12R1.390 CC(C)OCCNCCC1CO1 2230a_100000701111_100000732470 [0,1,0,1,0,0|2,0,0]=4 31444 B12R1.390 CC(C)OCCNCCC1CO1 34a_100000701111_100000732470 [0,1,0,1,0,0|2,0,0]=4 31445 B12R1.390 CC(C)OCCOCCC1CO1 34a_100000211219_100000732470 [0,1,0,1,0,0|2,0,0]=4 31446 B12R1.390 CC(C)OCCOCCC1CO1 7a_100000211219_100000732470 [0,1,0,1,0,0|2,0,0]=4 31447 B12R1.390 CC(C)OCCOCC[C@@H]1CO1 34a_100009820653_100000211751 [0,1,0,1,0,0|2,0,0]=4 31448 B12R1.390 CC(C)OCCSCCC1CO1 62a_100000211751_100000732470 [0,1,0,1,0,0|2,0,0]=4 31449 B12R1.390 CC(C)OCCSCCC1CO1 62a_100000732470_100000211751 [0,1,0,1,0,0|2,0,0]=4 31450 B12R1.390 CC(C)OCSCCCC1CO1 62a_100000709892_100000733510 [0,1,0,1,0,0|2,0,0]=4 31451 B12R1.390 CC(C)OCSCCCC1CO1 62a_100000733510_100000709892 [0,1,0,1,0,0|2,0,0]=4 31452 B12R1.390 CC(C)SCCNCCC1CO1 2230a_100000731138_100000732470 [0,1,0,1,0,0|2,0,0]=4 31453 B12R1.390 CC(C)SCCNCCC1CO1 34a_100000731138_100000732470 [0,1,0,1,0,0|2,0,0]=4 31454 B12R1.390 CC(C)SCCOCCC1CO1 34a_200011212901_100000732470 [0,1,0,1,0,0|2,0,0]=4 31455 B12R1.390 CC(C)SCCOCCC1CO1 7a_200011212901_100000732470 [0,1,0,1,0,0|2,0,0]=4 31456 B12R1.390 CC(C)SCCOCC[C@@H]1CO1 34a_100009820653_100000730970 [0,1,0,1,0,0|2,0,0]=4 31457 B12R1.390 CC(C)SCCSCCC1CO1 62a_100000730970_100000732470 [0,1,0,1,0,0|2,0,0]=4 31458 B12R1.390 CC(C)SCCSCCC1CO1 62a_100000732470_100000730970 [0,1,0,1,0,0|2,0,0]=4 31459 B12R1.390 CC(O)CCCNCCC1CC1 34a_100000764129_200000718107 [0,1,0,1,0,0|1,0,0]=3 31460 B12R1.390 CC(O)CCCOCCC1CC1 34a_100000754188_200000718107 [0,1,0,1,0,0|1,0,0]=3 31461 B12R1.390 CC(O)CCCOCCC1CC1 7a_100000754188_200000718107 [0,1,0,1,0,0|1,0,0]=3 31462 B12R1.390 CC(O)CCCOCC[C@@H]1CO1 34a_100009820653_200000718107 [0,1,0,1,0,0|1,0,0]=3 31463 B12R1.390 CC(O)CCCSCCC1CC1 62a_100000764125_200000718107 [0,1,0,1,0,0|1,0,0]=3 31464 B12R1.390 CC(O)CCCSCCC1CC1 62a_200000718107_100000764125 [0,1,0,1,0,0|1,0,0]=3 31465 B12R1.390 CC(O)CCCSCCC1CO1 62a_100000732470_200000718107 [0,1,0,1,0,0|1,0,0]=3 31466 B12R1.390 CC(O)CCCSCCC1CO1 62a_200000718107_100000732470 [0,1,0,1,0,0|1,0,0]=3 31467 B12R1.390 CC(O)CCNCCCC1CO1 2230a_200000755665_100000733510 [0,1,0,1,0,0|1,0,0]=3 31468 B12R1.390 CC(O)CCOCCNC1CC1 34a_100000738766_100012276601 [0,1,0,1,0,0|2,0,0]=4 31469 B12R1.390 CC(O)CCSCCCC1CO1 62a_100000733510_100012276601 [0,1,0,1,0,0|1,0,0]=3 31470 B12R1.390 CC(O)CCSCCCC1CO1 62a_100012276601_100000733510 [0,1,0,1,0,0|1,0,0]=3 31471 B12R1.390 CN(C)CCCCSCC1CO1 62a_102125554688_100000690147 [0,1,0,1,0,0|2,0,0]=4 31472 B12R1.390 CN(C)CCCCSC[C@@H]1CO1 62a_100000745022_100000690147 [0,1,0,1,0,0|2,0,0]=4 31473 B12R1.390 CN(C)CCCSCCC1CO1 62a_100000732470_100000757444 [0,1,0,1,0,0|2,0,0]=4 31474 B12R1.390 CN(C)CCSCCCC1CO1 62a_100000733510_100000755713 [0,1,0,1,0,0|2,0,0]=4 31475 B12R1.390 CS(=O)CCCNCCC1CO1 2230a_200000753449_100000732470 [0,1,0,1,0,0|2,0,0]=4 31476 B12R1.390 C[C@@H](N)CCOCCCC1CO1 34a_100000706166_100000733510 [0,1,0,1,0,0|1,0,0]=3 31477 B12R1.390 FC(F)CCOCCCC1CO1 34a_100103093639_100000733510 [0,1,0,1,0,0|2,0,0]=4 31478 B12R1.390 OB(O)CCCCCNC1CC1 34a_100000212008_200009817188 [0,1,0,1,0,0|2,0,0]=4 31479 B12R1.390 OB(O)CCCCCSC1CC1 62a_200009817188_100000211595 [0,1,0,1,0,0|2,0,0]=4 31480 B12R1.390 OB(O)CCCCNCC1CC1 2230a_100000735609_200009817182 [0,1,0,1,0,0|2,0,0]=4 31481 B12R1.390 OB(O)CCCCNCC1CC1 34a_100000735609_200009817182 [0,1,0,1,0,0|2,0,0]=4 31482 B12R1.390 OB(O)CCCCOCC1CC1 34a_100000211283_200009817182 [0,1,0,1,0,0|2,0,0]=4 31483 B12R1.390 OB(O)CCCCSCC1CC1 62a_100000756562_200009817182 [0,1,0,1,0,0|2,0,0]=4 31484 B12R1.390 OB(O)CCCCSCC1CC1 62a_200009817182_100000742324 [0,1,0,1,0,0|2,0,0]=4 31485 B12R1.405 CC(C)C1CCCCCN1CF 269982a_100000697956_100015361967 [0,1,0,1,0,0|2,0,0]=4 31486 B12R1.405 CC(C)C1CCCCCN1CF 34a_100000697956_100015361967 [0,1,0,1,0,0|2,0,0]=4 31487 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|1,0,1]=4 31488 B12R1.405 CCN1CCCCCC1C(C)C 2230a_100000697956_100000210202 [0,1,0,1,0,0|2,0,0]=4 31489 B12R1.405 CCN1CCCCCC1C(C)C 269982a_100000697956_100000204670 [0,1,0,1,0,0|2,0,0]=4 31490 B12R1.405 CCN1CCCCCC1C(C)C 34a_100000697956_100000210202 [0,1,0,1,0,0|2,0,0]=4 31491 B12R1.459 CC1(CCCC1NCCCF)C 269862a_100015189416_100000065263 [0,1,0,1,0,0|2,0,0]=4 31492 B12R1.459 CC1(CCCC1NCCCO)C 269862a_100000182051_100000065263 [0,1,0,1,0,0|1,0,0]=3 31493 B12R1.459 CC1(CCCC1OCCCF)C 34a_100000726220_100011934791 [0,1,0,1,0,0|2,0,0]=4 31494 B12R1.459 CC1(CCCC1OCCCF)C 7a_100000726220_100011934791 [0,1,0,1,0,0|2,0,0]=4 31495 B12R1.459 CC1(CCCC1OCCCO)C 34a_100000726220_100000230001 [0,1,0,1,0,0|1,0,0]=3 31496 B12R1.459 CC1(CCCC1OCCCO)C 7a_100000726220_100011215043 [0,1,0,1,0,0|1,0,0]=3 31497 B12R1.459 CC1(CCCN1CCCCF)C 2230a_100000761399_100000729493 [0,1,0,1,0,0|2,0,0]=4 31498 B12R1.459 CC1(CCCN1CCCCF)C 269982a_100000761399_100000729493 [0,1,0,1,0,0|2,0,0]=4 31499 B12R1.459 CC1(CCCN1CCCCF)C 34a_100000761399_100000729493 [0,1,0,1,0,0|2,0,0]=4 31500 B12R1.459 CC1(CCCN1CCCCO)C 2230a_100000761399_100000210776 [0,1,0,1,0,0|1,0,0]=3 31501 B12R1.459 CC1(CCCN1CCCCO)C 269982a_100000761399_100000210776 [0,1,0,1,0,0|1,0,0]=3 31502 B12R1.459 CC1(CCCN1CCCCO)C 34a_100000761399_100011216708 [0,1,0,1,0,0|1,0,0]=3 31503 B12R1.459 CC1(COCN1CCCCO)C 2230a_100000043020_100000210776 [0,1,0,1,0,0|2,0,0]=4 31504 B12R1.459 CC1(COCN1CCCCO)C 269982a_100000043020_100000210776 [0,1,0,1,0,0|2,0,0]=4 31505 B12R1.459 CC1(SCCN1CCCCO)C 2230a_100011217261_100000210776 [0,1,0,1,0,0|2,0,0]=4 31506 B12R1.459 CC1(SCCN1CCCCO)C 269982a_100011217261_100000210776 [0,1,0,1,0,0|2,0,0]=4 31507 B12R1.459 CC1(SCCN1CCCCO)C 34a_100011217261_100011216708 [0,1,0,1,0,0|2,0,0]=4 31508 B12R1.459 CCCCCN1CCCC1(C)C 2230a_100000761399_100000210326 [0,1,0,1,0,0|2,0,0]=4 31509 B12R1.459 CCCCCN1CCCC1(C)C 269982a_100000761399_100000210215 [0,1,0,1,0,0|2,0,0]=4 31510 B12R1.459 CCCCCN1CCCC1(C)C 34a_100000761399_100000718602 [0,1,0,1,0,0|2,0,0]=4 31511 B12R1.459 CCCCNC1CCCC1(C)C 269862a_100000102301_100000065263 [0,1,0,1,0,0|2,0,0]=4 31512 B12R1.459 CCCCNC1CCCC1(F)F 2230a_100000767123_100000210211 [0,1,0,1,0,0|2,0,0]=4 31513 B12R1.459 CCCCNC1CCCC1(F)F 34a_100000767123_100000210210 [0,1,0,1,0,0|2,0,0]=4 31514 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210211 [0,1,0,1,0,0|1,0,0]=3 31515 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210210 [0,1,0,1,0,0|1,0,0]=3 31516 B12R1.459 CCCCOC1CCCC1(C)C 34a_100000726220_100000210210 [0,1,0,1,0,0|2,0,0]=4 31517 B12R1.459 CCCCOC1CCCC1(C)C 7a_100000726220_100000210211 [0,1,0,1,0,0|2,0,0]=4 31518 B12R1.459 CCCCOC1CCCC1(F)F 34a_100000210227_100119073726 [0,1,0,1,0,0|2,0,0]=4 31519 B12R1.459 CCCCSC1CCCC1(F)F 62a_100000210211_100119073726 [0,1,0,1,0,0|2,0,0]=4 31520 B12R1.459 CCCCSC1CCCC1(F)F 62a_100119073726_100000210210 [0,1,0,1,0,0|2,0,0]=4 31521 B12R1.459 COCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011201679 [0,1,0,1,0,0|2,0,0]=4 31522 B12R1.459 COCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011201679 [0,1,0,1,0,0|2,0,0]=4 31523 B12R1.459 CSCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000751147 [0,1,0,1,0,0|2,0,0]=4 31524 B12R1.459 CSCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000212216 [0,1,0,1,0,0|2,0,0]=4 31525 B12R1.459 C[C@]1(CCC[C@H]1NCCCF)O 2230a_100015977457_100011934791 [0,1,0,1,0,0|2,0,0]=4 31526 B12R1.459 C[C@]1(CCC[C@H]1NCCCF)O 34a_100015977457_100011934791 [0,1,0,1,0,0|2,0,0]=4 31527 B12R1.459 C[C@]1(CCC[C@H]1NCCCO)O 2230a_100015977457_100000230001 [0,1,0,1,0,0|1,0,0]=3 31528 B12R1.459 C[C@]1(CCC[C@H]1NCCCO)O 34a_100015977457_100000230001 [0,1,0,1,0,0|1,0,0]=3 31529 B12R1.459 OCCCNC1CCCC1(F)F 2230a_100000767123_100000230001 [0,1,0,1,0,0|2,0,0]=4 31530 B12R1.459 OCCCNC1CCCC1(F)F 34a_100000767123_100000230001 [0,1,0,1,0,0|2,0,0]=4 31531 B12R1.459 OCCCSC1CCCC1(F)F 62a_100011215043_100119073726 [0,1,0,1,0,0|2,0,0]=4 31532 B12R1.459 OCCCSC1CCCC1(F)F 62a_100119073726_100011215043 [0,1,0,1,0,0|2,0,0]=4 31533 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,1,0,1,0,0|1,0,1]=4 31534 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 31535 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 31536 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 31537 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,1,0,1,0,0|2,0,0]=4 31538 B12R1.1343 CC(Br)COC1CCCCCC1 34a_100012180447_100011217769 [0,1,0,1,0,0|2,0,0]=4 31539 B12R1.1343 CC(C)CCN1CCCCCC1 2230a_100000185865_100000210312 [0,1,0,1,0,0|2,0,0]=4 31540 B12R1.1343 CC(C)CCN1CCCCCC1 269982a_100000185865_100000210312 [0,1,0,1,0,0|2,0,0]=4 31541 B12R1.1343 CC(C)CCN1CCCCCC1 34a_100000185865_100000210312 [0,1,0,1,0,0|2,0,0]=4 31542 B12R1.1343 CC(C)CNC1CCCCCC1 2230a_100000210984_100000210760 [0,1,0,1,0,0|2,0,0]=4 31543 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210953_100000210131 [0,1,0,1,0,0|2,0,0]=4 31544 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210984_100000210432 [0,1,0,1,0,0|2,0,0]=4 31545 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210953_100011217769 [0,1,0,1,0,0|2,0,0]=4 31546 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210984_100000210624 [0,1,0,1,0,0|2,0,0]=4 31547 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210257_100011217769 [0,1,0,1,0,0|2,0,0]=4 31548 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210887_100000210624 [0,1,0,1,0,0|2,0,0]=4 31549 B12R1.1343 CC(C)COC1CCCCCC1 7a_100000210887_100000210760 [0,1,0,1,0,0|2,0,0]=4 31550 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100000210624_100011217769 [0,1,0,1,0,0|2,0,0]=4 31551 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100011217769_100000210760 [0,1,0,1,0,0|2,0,0]=4 31552 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100015204231_100000210206 [0,1,0,1,0,0|2,0,0]=4 31553 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100138425928_200000696569 [0,1,0,1,0,0|2,0,0]=4 31554 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100015204231_100000210206 [0,1,0,1,0,0|2,0,0]=4 31555 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100138425928_200000696569 [0,1,0,1,0,0|2,0,0]=4 31556 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000212225_200000696569 [0,1,0,1,0,0|2,0,0]=4 31557 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000699130_100000210206 [0,1,0,1,0,0|2,0,0]=4 31558 B12R1.1343 CC(C)OCC1CCCCCC1 7a_100000699130_100000210206 [0,1,0,1,0,0|2,0,0]=4 31559 B12R1.1343 CC(C)SCC1CCCCCC1 62a_100000210206_200000696569 [0,1,0,1,0,0|2,0,0]=4 31560 B12R1.1343 CC(C)SCC1CCCCCC1 62a_200000696569_100000210206 [0,1,0,1,0,0|2,0,0]=4 31561 B12R1.1343 CC(F)COC1CCCCCC1 34a_100015925927_100011217769 [0,1,0,1,0,0|2,0,0]=4 31562 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,1,0,1,0,0|1,0,0]=3 31563 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,1,0,1,0,0|1,0,0]=3 31564 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,1,0,1,0,0|1,0,0]=3 31565 B12R1.1343 CC(O)CCN1CCCOCC1 2230a_100000685342_100012276601 [0,1,0,1,0,0|2,0,0]=4 31566 B12R1.1343 CC(O)CCN1CCCOCC1 269982a_100000685342_100012276601 [0,1,0,1,0,0|2,0,0]=4 31567 B12R1.1343 CC(O)CCN1CCCOCC1 34a_100000685342_100012276601 [0,1,0,1,0,0|2,0,0]=4 31568 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,1,0,1,0,0|1,0,0]=3 31569 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,1,0,1,0,0|1,0,0]=3 31570 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,1,0,1,0,0|1,0,0]=3 31571 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,1,0,1,0,0|1,0,0]=3 31572 B12R1.1343 CC(O)CNC1CCCNCC1 270004a_100000210904_100015187895 [0,1,0,1,0,0|2,0,0]=4 31573 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,1,0,1,0,0|1,0,0]=3 31574 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,1,0,1,0,0|1,0,0]=3 31575 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,1,0,1,0,0|1,0,0]=3 31576 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,1,0,1,0,0|1,0,0]=3 31577 B12R1.1343 C[C@@H](Cl)COC1CCCCCC1 34a_100016084084_100011217769 [0,1,0,1,0,0|2,0,0]=4 31578 B12R1.1343 C[C@@H](N)COC1CCCCCC1 34a_100000737577_100011217769 [0,1,0,1,0,0|2,0,0]=4 31579 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,1,0,1,0,0|1,0,0]=3 31580 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,1,0,1,0,0|1,0,0]=3 31581 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,1,0,1,0,0|1,0,0]=3 31582 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,1,0,1,0,0|1,0,0]=3 31583 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,1,0,1,0,0|1,0,0]=3 31584 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,1,0,1,0,0|1,0,0]=3 31585 B12R1.1343 FC(F)CNC1CCCCCC1 2230a_100000210984_100011934356 [0,1,0,1,0,0|2,0,0]=4 31586 B12R1.1343 FC(F)CNC1CCCCCC1 270004a_100000765723_100000210131 [0,1,0,1,0,0|2,0,0]=4 31587 B12R1.1343 FC(F)CNC1CCCCCC1 34a_100000210984_100011934356 [0,1,0,1,0,0|2,0,0]=4 31588 B12R1.1343 FC(F)CNC1CCCCCC1 34a_100000765723_100011217769 [0,1,0,1,0,0|2,0,0]=4 31589 B12R1.1343 FC(F)COC1CCCCCC1 34a_100000210887_100011934356 [0,1,0,1,0,0|2,0,0]=4 31590 B12R1.1343 FC(F)COC1CCCCCC1 34a_100000743014_100011217769 [0,1,0,1,0,0|2,0,0]=4 31591 B12R1.1343 FC(F)COC1CCCCCC1 7a_100000210887_100011934356 [0,1,0,1,0,0|2,0,0]=4 31592 B12R1.1343 FC(F)CSC1CCCCCC1 62a_100011217769_100011934356 [0,1,0,1,0,0|2,0,0]=4 31593 B12R1.1343 FC(F)CSC1CCCCCC1 62a_100011934356_100011217769 [0,1,0,1,0,0|2,0,0]=4 31594 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,1,0,1,0,0|1,0,1]=4 31595 B12R1.1392 CC(C)CN1CCCCCCC1 2230a_100000211400_100000210760 [0,1,0,1,0,0|2,0,0]=4 31596 B12R1.1392 CC(C)CN1CCCCCCC1 269982a_100000211400_100000210624 [0,1,0,1,0,0|2,0,0]=4 31597 B12R1.1392 CC(C)CN1CCCCCCC1 270004a_100000211400_100000210432 [0,1,0,1,0,0|2,0,0]=4 31598 B12R1.1392 CC(C)CN1CCCCCCC1 34a_100000211400_100000210624 [0,1,0,1,0,0|2,0,0]=4 31599 B12R1.1392 CC(C)NC1CCCCCCC1 2230a_100000211152_100000210206 [0,1,0,1,0,0|2,0,0]=4 31600 B12R1.1392 CC(C)NC1CCCCCCC1 34a_100000211152_100000210206 [0,1,0,1,0,0|2,0,0]=4 31601 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,1,0,1,0,0|2,0,0]=4 31602 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,1,0,1,0,0|2,0,0]=4 31603 B12R1.1392 CC(O)CN1CCCCCCC1 2230a_100000211400_100011218427 [0,1,0,1,0,0|1,0,0]=3 31604 B12R1.1392 CC(O)CN1CCCCCCC1 269982a_100000211400_100011218427 [0,1,0,1,0,0|1,0,0]=3 31605 B12R1.1392 CC(O)CN1CCCCCCC1 34a_100000211400_100011218427 [0,1,0,1,0,0|1,0,0]=3 31606 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 2230a_100000211400_100009817552 [0,1,0,1,0,0|1,0,0]=3 31607 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 269982a_100000211400_100009817552 [0,1,0,1,0,0|1,0,0]=3 31608 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 34a_100000211400_100009817552 [0,1,0,1,0,0|1,0,0]=3 31609 B12R1.1392 FC(F)CN1CCCCCCC1 2230a_100000211400_100011934356 [0,1,0,1,0,0|2,0,0]=4 31610 B12R1.1392 FC(F)CN1CCCCCCC1 269982a_100000211400_100011934356 [0,1,0,1,0,0|2,0,0]=4 31611 B12R1.1392 FC(F)CN1CCCCCCC1 34a_100000211400_100011934356 [0,1,0,1,0,0|2,0,0]=4 31612 B12R1.1995 CC1(CC1COCCCCF)C 34a_100000728257_100000729493 [0,1,0,1,0,0|2,0,0]=4 31613 B12R1.1995 CC1(CC1COCCCCF)C 7a_100000728257_100000729493 [0,1,0,1,0,0|2,0,0]=4 31614 B12R1.1995 CC1(CC1COCCCCO)C 34a_100000728257_100011216708 [0,1,0,1,0,0|1,0,0]=3 31615 B12R1.1995 CC1(CC1COCCCCO)C 7a_100000728257_100000210776 [0,1,0,1,0,0|1,0,0]=3 31616 B12R1.1995 CC1(OC1COCCCCO)C 34a_200010283642_100011216708 [0,1,0,1,0,0|2,0,0]=4 31617 B12R1.1995 CC1(OC1COCCCCO)C 7a_200010283642_100000210776 [0,1,0,1,0,0|2,0,0]=4 31618 B12R1.1995 CCCCCCNC1CC1(F)F 2230a_100020610826_100000210314 [0,1,0,1,0,0|2,0,0]=4 31619 B12R1.1995 CCCCCCNC1CC1(F)F 34a_100020610826_100000210314 [0,1,0,1,0,0|2,0,0]=4 31620 B12R1.1995 CCCCCNCC1CC1(F)F 2230a_100000209983_100009817841 [0,1,0,1,0,0|2,0,0]=4 31621 B12R1.1995 CCCCCOCC1CC1(C)C 34a_100000728257_100000718602 [0,1,0,1,0,0|2,0,0]=4 31622 B12R1.1995 CCCCCOCC1CC1(C)C 7a_100000728257_100000210326 [0,1,0,1,0,0|2,0,0]=4 31623 B12R1.1995 CCCCCOCC1CC1(F)F 34a_100000056500_100000718602 [0,1,0,1,0,0|2,0,0]=4 31624 B12R1.1995 CCCCCOCC1CC1(F)F 34a_100000210253_100009817841 [0,1,0,1,0,0|2,0,0]=4 31625 B12R1.1995 CCCCCOCC1CC1(F)F 7a_100000056500_100000210326 [0,1,0,1,0,0|2,0,0]=4 31626 B12R1.1995 CCCCCOCC1CC1(F)F 7a_100000210253_100009817841 [0,1,0,1,0,0|2,0,0]=4 31627 B12R1.1995 CCCCCSCC1CC1(F)F 62a_100000210326_100009817841 [0,1,0,1,0,0|2,0,0]=4 31628 B12R1.1995 CCCCCSCC1CC1(F)F 62a_100009817841_100000210326 [0,1,0,1,0,0|2,0,0]=4 31629 B12R1.1995 CCCCOCCC1CC1(F)F 34a_100009864177_100000210210 [0,1,0,1,0,0|2,0,0]=4 31630 B12R1.1995 CCCCOCCC1CC1(F)F 7a_100009864177_100000210211 [0,1,0,1,0,0|2,0,0]=4 31631 B12R1.1995 OCCCCCNC1CC1(F)F 2230a_100020610826_100000746330 [0,1,0,1,0,0|2,0,0]=4 31632 B12R1.1995 OCCCCCNC1CC1(F)F 34a_100020610826_100000746330 [0,1,0,1,0,0|2,0,0]=4 31633 B12R1.1995 OCCCCNCC1CC1(F)F 2230a_100000750430_100009817841 [0,1,0,1,0,0|2,0,0]=4 31634 B12R1.1995 OCCCCNCC1CC1(F)F 34a_100000750430_100009817841 [0,1,0,1,0,0|2,0,0]=4 31635 B12R1.1995 OCCCCOCC1CC1(F)F 34a_100000056500_100011216708 [0,1,0,1,0,0|2,0,0]=4 31636 B12R1.1995 OCCCCOCC1CC1(F)F 7a_100000056500_100000210776 [0,1,0,1,0,0|2,0,0]=4 31637 B12R1.1995 OCCCCSCC1CC1(F)F 62a_100000210776_100009817841 [0,1,0,1,0,0|2,0,0]=4 31638 B12R1.1995 OCCCCSCC1CC1(F)F 62a_100009817841_100000210776 [0,1,0,1,0,0|2,0,0]=4 31639 B12R1.1995 OCCCOCCC1CC1(F)F 34a_100009864177_100000230001 [0,1,0,1,0,0|2,0,0]=4 31640 B12R1.1995 OCCCOCCC1CC1(F)F 7a_100009864177_100011215043 [0,1,0,1,0,0|2,0,0]=4 31641 B12R2.2 C1CCC(CC1)N2CCCC2 269982a_100000188435_100000210327 [0,0,0,2,0,0|2,0,0]=4 31642 B12R2.2 C1CCC(CC1)N2CCCC2 270004a_100000188435_100000210434 [0,0,0,2,0,0|2,0,0]=4 31643 B12R2.10 CN1CCCC1C2CCCC2 2230a_100000743374_200000210301 [0,0,0,2,0,0|2,0,0]=4 31644 B12R2.10 CN1CCCC1C2CCCC2 269982a_100000743374_200000210301 [0,0,0,2,0,0|2,0,0]=4 31645 B12R2.10 CN1CCCC1C2CCCC2 34a_100000743374_200000210301 [0,0,0,2,0,0|2,0,0]=4 31646 B12R2.10 C[C@@H]1CCCN1C2CCCC2 2230a_100015189458_100000179811 [0,0,0,2,0,0|2,0,0]=4 31647 B12R2.10 C[C@@H]1CCCN1C2CCCC2 269982a_100015189458_100000179811 [0,0,0,2,0,0|2,0,0]=4 31648 B12R2.10 C[C@@H]1CCCN1C2CCCC2 270004a_100015189458_100000210133 [0,0,0,2,0,0|2,0,0]=4 31649 B12R2.10 C[C@@H]1CCCN1C2CCCC2 34a_100015189458_100000179811 [0,0,0,2,0,0|2,0,0]=4 31650 B12R2.10 C[C@H]1CCCN1C2CCCC2 2230a_100020605311_100000179811 [0,0,0,2,0,0|2,0,0]=4 31651 B12R2.10 C[C@H]1CCCN1C2CCCC2 269982a_100020605311_100000179811 [0,0,0,2,0,0|2,0,0]=4 31652 B12R2.10 C[C@H]1CCCN1C2CCCC2 270004a_100020605311_100000210133 [0,0,0,2,0,0|2,0,0]=4 31653 B12R2.10 O[C@@H]1CCC[C@H]1N2CCCC2 269982a_100000188435_200016002552 [0,0,0,2,0,0|1,0,0]=3 31654 B12R2.10 O[C@@H]1CCC[C@H]1N2CCSC2 269982a_100011215254_200016002552 [0,0,0,2,0,0|2,0,0]=4 31655 B12R2.10 [13CH3]N1CCCC1C2CCCC2 2230a_100000743374_200025704644 [0,0,0,2,0,0|2,0,0]=4 31656 B12R2.10 [13CH3]N1CCCC1C2CCCC2 269982a_100000743374_200025704644 [0,0,0,2,0,0|2,0,0]=4 31657 B12R2.10 [13CH3]N1CCCC1C2CCCC2 34a_100000743374_200025704644 [0,0,0,2,0,0|2,0,0]=4 31658 B12R2.12 CC1CCN1CC2CCCC2 269982a_100000755817_100000740388 [0,0,0,2,0,0|2,0,0]=4 31659 B12R2.12 CC1CCN1CC2CCCC2 34a_100000755817_100000740388 [0,0,0,2,0,0|2,0,0]=4 31660 B12R2.12 CC1CCN1CC2CCCO2 269982a_100000755817_100000183445 [0,0,0,2,0,0|1,0,0]=3 31661 B12R2.12 CC1CCN1CC2OCCO2 269982a_100000755817_100000755774 [0,0,0,2,0,0|2,0,0]=4 31662 B12R2.12 CC1CCN1CC2OCCO2 34a_100000755817_100000755774 [0,0,0,2,0,0|2,0,0]=4 31663 B12R2.20 CC1CC1COC2CCCC2 34a_100000744939_100000179811 [0,0,0,2,0,0|2,0,0]=4 31664 B12R2.20 CC1CC1COC2CCCC2 7a_100000744939_100000179811 [0,0,0,2,0,0|2,0,0]=4 31665 B12R2.20 F[C@@H]1C[C@H]1NCC2CCCC2 2230a_100025746932_100000740388 [0,0,0,2,0,0|2,0,0]=4 31666 B12R2.20 F[C@@H]1C[C@H]1NCC2CCCC2 34a_100025746932_100000740388 [0,0,0,2,0,0|2,0,0]=4 31667 B12R2.20 F[C@@H]1C[C@H]1NCC2CCCO2 2230a_100025746932_100000203698 [0,0,0,2,0,0|2,0,0]=4 31668 B12R2.20 F[C@H]1C[C@H]1NCC2CCCC2 2230a_100015190264_100000740388 [0,0,0,2,0,0|2,0,0]=4 31669 B12R2.20 F[C@H]1C[C@H]1NCC2CCCO2 2230a_100015190264_100000203698 [0,0,0,2,0,0|2,0,0]=4 31670 B12R2.98 C1CCC(C1)CN2CCCC2 2230a_100000188435_100000740388 [0,0,0,2,0,0|2,0,0]=4 31671 B12R2.98 C1CCC(C1)CN2CCCC2 269982a_100000188435_100000740388 [0,0,0,2,0,0|2,0,0]=4 31672 B12R2.98 C1CCC(C1)NC2CCCC2 2230a_100000211070_100000179811 [0,0,0,2,0,0|2,0,0]=4 31673 B12R2.98 C1CCC(C1)NC2CCCC2 270004a_100000211070_100000210133 [0,0,0,2,0,0|2,0,0]=4 31674 B12R2.98 C1CCC(C1)NC2CCCC2 34a_100000211070_100000179811 [0,0,0,2,0,0|2,0,0]=4 31675 B12R2.98 C1CCC(C1)OC2CCCC2 34a_100000210269_100000179811 [0,0,0,2,0,0|2,0,0]=4 31676 B12R2.98 C1CCC(C1)OC2CCCC2 7a_100000210269_100000179811 [0,0,0,2,0,0|2,0,0]=4 31677 B12R2.98 C1CCC(C1)OC2CCCO2 34a_100000085407_100000179811 [0,0,0,2,0,0|1,0,0]=3 31678 B12R2.98 C1CCC(C1)SC2CCCC2 62a_100011217020_100000179811 [0,0,0,2,0,0|2,0,0]=4 31679 B12R2.98 C1CCN(C1)CC2OCCO2 2230a_100000188435_100000755774 [0,0,0,2,0,0|2,0,0]=4 31680 B12R2.98 C1CCN(C1)CC2OCCO2 269982a_100000188435_100000755774 [0,0,0,2,0,0|2,0,0]=4 31681 B12R2.98 C1COC(C1)CN2CCCC2 2230a_100000188435_100000203698 [0,0,0,2,0,0|1,0,0]=3 31682 B12R2.98 C1COC(C1)CN2CCCC2 269982a_100000188435_100000183445 [0,0,0,2,0,0|1,0,0]=3 31683 B12R2.98 C1COC(C1)CN2CCSC2 2230a_100011215254_100000203698 [0,0,0,2,0,0|2,0,0]=4 31684 B12R2.98 C1COC(C1)CN2CCSC2 269982a_100011215254_100000183445 [0,0,0,2,0,0|2,0,0]=4 31685 B12R2.98 C1COC(C1)OC2CCOC2 34a_100000085407_100000690089 [0,0,0,2,0,0|2,0,0]=4 31686 B12R2.144 CCO[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_100000210202 [0,0,0,2,0,0|2,0,0]=4 31687 B12R2.144 CCO[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_100000210202 [0,0,0,2,0,0|2,0,0]=4 31688 B12R2.1435 OCCCNC1C2C1COC2 2230a_100000702821_100000230001 [0,0,0,2,0,0|2,0,0]=4 31689 B12R2.1435 OCCCNC1C2C1COC2 34a_100000702821_100000230001 [0,0,0,2,0,0|2,0,0]=4 31690 B12R2.1435 OCCOCC1C2C1CNC2 34a_100000045132_100000211926 [0,0,0,2,0,0|2,0,0]=4 31691 B12R2.2056 C1CC(C1)CNC2CCCC2 2230a_100000211070_100000763275 [0,0,0,2,0,0|2,0,0]=4 31692 B12R2.2056 C1CC(C1)CNC2CCCC2 2230a_100000738700_100000179811 [0,0,0,2,0,0|2,0,0]=4 31693 B12R2.2056 C1CC(C1)CNC2CCCC2 269862a_100000211070_100000753134 [0,0,0,2,0,0|2,0,0]=4 31694 B12R2.2056 C1CC(C1)CNC2CCCC2 270004a_100000738700_100000210133 [0,0,0,2,0,0|2,0,0]=4 31695 B12R2.2056 C1CC(C1)CNC2CCCC2 34a_100000211070_100000763275 [0,0,0,2,0,0|2,0,0]=4 31696 B12R2.2056 C1CC(C1)CNC2CCCC2 34a_100000738700_100000179811 [0,0,0,2,0,0|2,0,0]=4 31697 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000210269_100000763275 [0,0,0,2,0,0|2,0,0]=4 31698 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000760304_100000179811 [0,0,0,2,0,0|2,0,0]=4 31699 B12R2.2056 C1CC(C1)COC2CCCC2 7a_100000210269_100000763275 [0,0,0,2,0,0|2,0,0]=4 31700 B12R2.2056 C1CC(C1)COC2CCCO2 34a_100000085407_100000763275 [0,0,0,2,0,0|1,0,0]=3 31701 B12R2.2056 C1CC(C1)CSC2CCCC2 62a_100000763275_100000179811 [0,0,0,2,0,0|2,0,0]=4 31702 B12R2.2056 C1CC(C1)CSC2CCCC2 62a_100011217020_100000763275 [0,0,0,2,0,0|2,0,0]=4 31703 B12R2.2056 C1CC(C1)NCC2CCCO2 2230a_100000749019_100000203698 [0,0,0,2,0,0|1,0,0]=3 31704 B12R2.2056 C1CC(C1)NCC2OCCO2 2230a_100000749019_100000755774 [0,0,0,2,0,0|2,0,0]=4 31705 B12R2.2056 C1CC(C1)NCC2OCCO2 270004a_100000036311_100000241760 [0,0,0,2,0,0|2,0,0]=4 31706 B12R2.2056 C1CC(C1)NCC2OCCO2 34a_100000036311_100000749161 [0,0,0,2,0,0|2,0,0]=4 31707 B12R2.2056 C1CC(C1)NCC2OCCO2 34a_100000749019_100000755774 [0,0,0,2,0,0|2,0,0]=4 31708 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 270004a_100020590478_100000241760 [0,0,0,2,0,0|1,0,0]=3 31709 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 34a_100020590478_100000749161 [0,0,0,2,0,0|1,0,0]=3 31710 B12R2.2056 C1CC(C1)OCC2CCCO2 34a_100000210270_100000749161 [0,0,0,2,0,0|1,0,0]=3 31711 B12R2.2056 C1CC(C1)OCC2COCO2 34a_100011216627_100000749161 [0,0,0,2,0,0|2,0,0]=4 31712 B12R2.2056 C1CC(C1)OCC2OCCO2 34a_100000087154_100000749161 [0,0,0,2,0,0|2,0,0]=4 31713 B12R2.2056 C1CC(C1)OCC2OCCO2 34a_100000748187_100000755774 [0,0,0,2,0,0|2,0,0]=4 31714 B12R2.2056 C1CC(C1)OC[C@H]2CCCN2 34a_100000745186_100000749161 [0,0,0,2,0,0|2,0,0]=4 31715 B12R2.2056 C1CC(C1)SCC2OCCO2 62a_100000755774_100000749161 [0,0,0,2,0,0|2,0,0]=4 31716 B12R2.2056 C1CC(CO1)NC[C@@H]2CCO2 2230a_100020831831_100000731011 [0,0,0,2,0,0|2,0,0]=4 31717 B12R2.2056 C1CC(CO1)NC[C@@H]2CCO2 270004a_100020831831_100000752484 [0,0,0,2,0,0|2,0,0]=4 31718 B12R2.2056 C1CC(CO1)NC[C@@H]2CCO2 34a_100020831831_100000690089 [0,0,0,2,0,0|2,0,0]=4 31719 B12R2.2056 C1CC(CO1)OCC2CCO2 34a_100000039022_100000690089 [0,0,0,2,0,0|2,0,0]=4 31720 B12R2.2056 C1CC(CO1)SCC2CCO2 62a_100000103362_100000690089 [0,0,0,2,0,0|2,0,0]=4 31721 B12R2.2056 C1CC(O1)COC2CCSC2 7a_100011232664_100000103362 [0,0,0,2,0,0|2,0,0]=4 31722 B12R2.2056 C1CCC(C1)CCN2CCC2 269982a_100000754969_100000760354 [0,0,0,2,0,0|2,0,0]=4 31723 B12R2.2056 C1CCC(C1)CNC2CCC2 2230a_100000749019_100000740388 [0,0,0,2,0,0|2,0,0]=4 31724 B12R2.2056 C1CCC(C1)CNC2CCC2 269862a_100000749019_100000746403 [0,0,0,2,0,0|2,0,0]=4 31725 B12R2.2056 C1CCC(C1)CNC2CCC2 270004a_100000737975_100000241760 [0,0,0,2,0,0|2,0,0]=4 31726 B12R2.2056 C1CCC(C1)CNC2CCC2 34a_100000737975_100000749161 [0,0,0,2,0,0|2,0,0]=4 31727 B12R2.2056 C1CCC(C1)CNC2CCC2 34a_100000749019_100000740388 [0,0,0,2,0,0|2,0,0]=4 31728 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000742336_100000749161 [0,0,0,2,0,0|2,0,0]=4 31729 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000748187_100000740388 [0,0,0,2,0,0|2,0,0]=4 31730 B12R2.2056 C1CCC(C1)CSC2CCC2 62a_100000740388_100000749161 [0,0,0,2,0,0|2,0,0]=4 31731 B12R2.2056 C1CCC(C1)NCC2CCO2 2230a_100000211070_100000103362 [0,0,0,2,0,0|1,0,0]=3 31732 B12R2.2056 C1CCC(C1)NCC2CCO2 34a_100000211070_100000103362 [0,0,0,2,0,0|1,0,0]=3 31733 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 2230a_100020831831_100000179811 [0,0,0,2,0,0|1,0,0]=3 31734 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000210133 [0,0,0,2,0,0|1,0,0]=3 31735 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 34a_100020831831_100000179811 [0,0,0,2,0,0|1,0,0]=3 31736 B12R2.2056 C1CCC(C1)OCC2CCO2 34a_100000039022_100000179811 [0,0,0,2,0,0|1,0,0]=3 31737 B12R2.2056 C1CCC(C1)OCC2CCO2 34a_100000210269_100000103362 [0,0,0,2,0,0|1,0,0]=3 31738 B12R2.2056 C1CCC(C1)OCC2CCO2 7a_100000210269_100000103362 [0,0,0,2,0,0|1,0,0]=3 31739 B12R2.2056 C1CCC(C1)SCC2CCO2 62a_100000103362_100000179811 [0,0,0,2,0,0|1,0,0]=3 31740 B12R2.2056 C1CCC(C1)SCC2CCO2 62a_100011217020_100000103362 [0,0,0,2,0,0|1,0,0]=3 31741 B12R2.2056 C1CN(C1)CCC2OCCO2 269982a_100000754969_100000740749 [0,0,0,2,0,0|2,0,0]=4 31742 B12R2.2056 C1COC(C1)CNC2COC2 2230a_100016991112_100000203698 [0,0,0,2,0,0|2,0,0]=4 31743 B12R2.2056 C1COC(C1)COC2COC2 34a_100000210270_100009818527 [0,0,0,2,0,0|2,0,0]=4 31744 B12R2.2056 C1COC(C1)COC2COC2 7a_100000210270_100009818527 [0,0,0,2,0,0|2,0,0]=4 31745 B12R2.2056 C1COC(C1)COC2CSC2 7a_100000072292_100000203698 [0,0,0,2,0,0|2,0,0]=4 31746 B12R2.2056 C1COC(C1)CSC2CCC2 62a_100000203698_100000749161 [0,0,0,2,0,0|1,0,0]=3 31747 B12R2.2056 C1COC(C1)CSC2COC2 62a_100000203698_100009818527 [0,0,0,2,0,0|2,0,0]=4 31748 B12R2.2056 C1COC(C1)OCC2CCO2 34a_100000085407_100000103362 [0,0,0,2,0,0|2,0,0]=4 31749 B12R2.2056 C1COC(C1)OCC2COC2 34a_100000085407_100010264016 [0,0,0,2,0,0|2,0,0]=4 31750 B12R2.2056 C1CO[C@@H](C1)CNC2COC2 34a_100020590478_100009818527 [0,0,0,2,0,0|2,0,0]=4 31751 B12R2.2056 C1C[C@@H](CO1)NCC2CCO2 2230a_100015188467_100000103362 [0,0,0,2,0,0|2,0,0]=4 31752 B12R2.2056 C1C[C@@H](CO1)NCC2CCO2 34a_100015188467_100000103362 [0,0,0,2,0,0|2,0,0]=4 31753 B12R2.2056 C1C[C@@H](CO1)OCC2CCO2 34a_100000717292_100000103362 [0,0,0,2,0,0|2,0,0]=4 31754 B12R2.2056 C1C[C@H](CO1)NCC2CCO2 2230a_200015188469_100000103362 [0,0,0,2,0,0|2,0,0]=4 31755 B12R2.2056 C1C[C@H](O1)CNC2CCSC2 270004a_100020831831_100000212027 [0,0,0,2,0,0|2,0,0]=4 31756 B12R2.2336 BrCCOC1CC2CCC1C2 34a_100000211926_100000727232 [0,0,0,2,0,0|2,0,0]=4 31757 B12R2.2336 CCCCN1CC2CCC1C2 2230a_100000743476_100000210211 [0,0,0,2,0,0|2,0,0]=4 31758 B12R2.2336 CCCCN1CC2CCC1C2 269982a_100000743476_100000210211 [0,0,0,2,0,0|2,0,0]=4 31759 B12R2.2336 CCCCN1CC2CCC1C2 34a_100000743476_100000210210 [0,0,0,2,0,0|2,0,0]=4 31760 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210211 [0,0,0,2,0,0|1,0,0]=3 31761 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210211 [0,0,0,2,0,0|1,0,0]=3 31762 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210210 [0,0,0,2,0,0|1,0,0]=3 31763 B12R2.2336 CCCNC1CC2CCC1C2 2230a_100000758229_100000210303 [0,0,0,2,0,0|2,0,0]=4 31764 B12R2.2336 CCCNC1CC2CCC1C2 269862a_100020643023_100000223372 [0,0,0,2,0,0|2,0,0]=4 31765 B12R2.2336 CCCNC1CC2CCC1C2 270004a_100020643023_100000223372 [0,0,0,2,0,0|2,0,0]=4 31766 B12R2.2336 CCCNC1CC2CCC1C2 34a_100000758229_100000210303 [0,0,0,2,0,0|2,0,0]=4 31767 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000210258_100000727232 [0,0,0,2,0,0|2,0,0]=4 31768 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000211339_100000210303 [0,0,0,2,0,0|2,0,0]=4 31769 B12R2.2336 CCCSC1CC2CCC1C2 62a_100000210303_100000727232 [0,0,0,2,0,0|2,0,0]=4 31770 B12R2.2336 CCCSC1CC2CCC1C2 62a_100000727232_100000210303 [0,0,0,2,0,0|2,0,0]=4 31771 B12R2.2336 CCNCC1CC2CCC1C2 269862a_100015525214_100000697602 [0,0,0,2,0,0|2,0,0]=4 31772 B12R2.2336 CCNCC1CC2CCC1C2 270004a_100015525214_100000697602 [0,0,0,2,0,0|2,0,0]=4 31773 B12R2.2336 CCOCC1CC2CCC1C2 34a_100000229996_100000210202 [0,0,0,2,0,0|2,0,0]=4 31774 B12R2.2336 CCOCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000739092 [0,0,0,2,0,0|2,0,0]=4 31775 B12R2.2336 COCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011201679 [0,0,0,2,0,0|2,0,0]=4 31776 B12R2.2336 COCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000233755 [0,0,0,2,0,0|2,0,0]=4 31777 B12R2.2336 COCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100011201679 [0,0,0,2,0,0|2,0,0]=4 31778 B12R2.2336 CSCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000751147 [0,0,0,2,0,0|2,0,0]=4 31779 B12R2.2336 CSCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000212216 [0,0,0,2,0,0|2,0,0]=4 31780 B12R2.2336 CSCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000212216 [0,0,0,2,0,0|2,0,0]=4 31781 B12R2.2336 FCCCN1CC2CCC1C2 2230a_100000743476_100011934791 [0,0,0,2,0,0|2,0,0]=4 31782 B12R2.2336 FCCCN1CC2CCC1C2 269982a_100000743476_100011934791 [0,0,0,2,0,0|2,0,0]=4 31783 B12R2.2336 FCCCN1CC2CCC1C2 34a_100000743476_100011934791 [0,0,0,2,0,0|2,0,0]=4 31784 B12R2.2336 FCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011934791 [0,0,0,2,0,0|2,0,0]=4 31785 B12R2.2336 FCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100011934791 [0,0,0,2,0,0|2,0,0]=4 31786 B12R2.2336 FCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100011934791 [0,0,0,2,0,0|2,0,0]=4 31787 B12R2.2336 FCCNC1CC2CCC1C2 2230a_100000758229_100011217306 [0,0,0,2,0,0|2,0,0]=4 31788 B12R2.2336 FCCNC1CC2CCC1C2 269862a_100000724931_100000223372 [0,0,0,2,0,0|2,0,0]=4 31789 B12R2.2336 FCCNC1CC2CCC1C2 34a_100000724931_100000727232 [0,0,0,2,0,0|2,0,0]=4 31790 B12R2.2336 FCCNC1CC2CCC1C2 34a_100000758229_100011217306 [0,0,0,2,0,0|2,0,0]=4 31791 B12R2.2336 FCCOC1CC2CCC1C2 34a_100000211339_100011217306 [0,0,0,2,0,0|2,0,0]=4 31792 B12R2.2336 FCCSC1CC2CCC1C2 62a_100000727232_100011217306 [0,0,0,2,0,0|2,0,0]=4 31793 B12R2.2336 FCCSC1CC2CCC1C2 62a_100011217306_100000727232 [0,0,0,2,0,0|2,0,0]=4 31794 B12R2.2336 FCOCC1CC2CCC1C2 34a_100000229996_100015361967 [0,0,0,2,0,0|2,0,0]=4 31795 B12R2.2336 NCCOC1CC2CCC1C2 34a_100000210304_100000727232 [0,0,0,2,0,0|2,0,0]=4 31796 B12R2.2336 OCCCN1CC2CCC1C2 2230a_100000743476_100000230001 [0,0,0,2,0,0|1,0,0]=3 31797 B12R2.2336 OCCCN1CC2CCC1C2 269982a_100000743476_100011215043 [0,0,0,2,0,0|1,0,0]=3 31798 B12R2.2336 OCCCN1CC2CCC1C2 34a_100000743476_100000230001 [0,0,0,2,0,0|1,0,0]=3 31799 B12R2.2336 OCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000230001 [0,0,0,2,0,0|2,0,0]=4 31800 B12R2.2336 OCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100011215043 [0,0,0,2,0,0|2,0,0]=4 31801 B12R2.2336 OCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000230001 [0,0,0,2,0,0|2,0,0]=4 31802 B12R2.2336 OCCNC1CC2CCC1C2 2230a_100000758229_100000211926 [0,0,0,2,0,0|1,0,0]=3 31803 B12R2.2336 OCCNC1CC2CCC1C2 269862a_100000210304_100000223372 [0,0,0,2,0,0|1,0,0]=3 31804 B12R2.2336 OCCNC1CC2CCC1C2 270004a_100000210304_100000223372 [0,0,0,2,0,0|1,0,0]=3 31805 B12R2.2336 OCCNC1CC2CCC1C2 34a_100000758229_100000211926 [0,0,0,2,0,0|1,0,0]=3 31806 B12R2.2336 OCCNC1CC2CCC1C2 34a_100016990907_100000727232 [0,0,0,2,0,0|1,0,0]=3 31807 B12R2.2336 OCCOC1CC2CCC1C2 34a_100000211339_100000211926 [0,0,0,2,0,0|1,0,0]=3 31808 B12R2.2336 OCCSC1CC2CCC1C2 62a_100000211926_100000727232 [0,0,0,2,0,0|1,0,0]=3 31809 B12R2.2336 OCCSC1CC2CCC1C2 62a_100000727232_100000211926 [0,0,0,2,0,0|1,0,0]=3 31810 B12R2.2383 C(CC1CO1)CN2CCSC2 2230a_100011215254_100000733510 [0,0,0,2,0,0|2,0,0]=4 31811 B12R2.2383 C(CC1CO1)CN2CCSC2 269982a_100011215254_100000733510 [0,0,0,2,0,0|2,0,0]=4 31812 B12R2.2383 C(CC1CO1)N[C@@H]2CCOC2 2230a_200015188469_100000732470 [0,0,0,2,0,0|2,0,0]=4 31813 B12R2.2383 C(CC1CO1)N[C@H]2CCOC2 2230a_100015188467_100000732470 [0,0,0,2,0,0|2,0,0]=4 31814 B12R2.2383 C(CC1CO1)N[C@H]2CCOC2 34a_100015188467_100000732470 [0,0,0,2,0,0|2,0,0]=4 31815 B12R2.2383 C(CC1CO1)OC2CCSC2 7a_100011232664_100000732470 [0,0,0,2,0,0|2,0,0]=4 31816 B12R2.2383 C(CC1OCCO1)NC2CC2 34a_100000034215_100000211595 [0,0,0,2,0,0|2,0,0]=4 31817 B12R2.2383 C(CC1OCCO1)NC2CC2 34a_100000212008_100000740749 [0,0,0,2,0,0|2,0,0]=4 31818 B12R2.2383 C1CC(CN1)COCC2CO2 34a_100000748654_102125554688 [0,0,0,2,0,0|2,0,0]=4 31819 B12R2.2383 C1CC(CO1)CNCC2CO2 2230a_100000737293_100011216344 [0,0,0,2,0,0|2,0,0]=4 31820 B12R2.2383 C1CC(CO1)CNCC2CO2 34a_100000737293_102125554688 [0,0,0,2,0,0|2,0,0]=4 31821 B12R2.2383 C1CC(CO1)COCC2CO2 34a_100000740260_102125554688 [0,0,0,2,0,0|2,0,0]=4 31822 B12R2.2383 C1CC(CO1)COC[C@@H]2CO2 34a_100000757423_100011261433 [0,0,0,2,0,0|2,0,0]=4 31823 B12R2.2383 C1CC(CO1)CSCC2CO2 62a_100000702531_102125554688 [0,0,0,2,0,0|2,0,0]=4 31824 B12R2.2383 C1CC(CO1)CSCC2CO2 62a_102125554688_100000702531 [0,0,0,2,0,0|2,0,0]=4 31825 B12R2.2383 C1CC(CO1)CSC[C@@H]2CO2 62a_100000702531_100000745022 [0,0,0,2,0,0|2,0,0]=4 31826 B12R2.2383 C1CC(CO1)CSC[C@@H]2CO2 62a_100000745022_100000702531 [0,0,0,2,0,0|2,0,0]=4 31827 B12R2.2383 C1CC(CO1)OCC[C@@H]2CO2 34a_100009820653_100000690089 [0,0,0,2,0,0|2,0,0]=4 31828 B12R2.2383 C1CC(CO1)SCCC2CO2 62a_100000732470_100000690089 [0,0,0,2,0,0|2,0,0]=4 31829 B12R2.2383 C1CCC(C1)CCNC2CC2 34a_100000212008_100000760354 [0,0,0,2,0,0|2,0,0]=4 31830 B12R2.2383 C1CCC(C1)CCNC2CC2 34a_100000739158_100000211595 [0,0,0,2,0,0|2,0,0]=4 31831 B12R2.2383 C1CCC(C1)CCOC2CC2 34a_100000749090_100000211595 [0,0,0,2,0,0|2,0,0]=4 31832 B12R2.2383 C1CCC(C1)CCSC2CC2 62a_100000760354_100000211595 [0,0,0,2,0,0|2,0,0]=4 31833 B12R2.2383 C1CCC(C1)CNCC2CC2 2230a_100000735609_100000740388 [0,0,0,2,0,0|2,0,0]=4 31834 B12R2.2383 C1CCC(C1)CNCC2CC2 2230a_100000737975_100000742324 [0,0,0,2,0,0|2,0,0]=4 31835 B12R2.2383 C1CCC(C1)CNCC2CC2 269862a_100000737975_100000741477 [0,0,0,2,0,0|2,0,0]=4 31836 B12R2.2383 C1CCC(C1)CNCC2CC2 34a_100000735609_100000740388 [0,0,0,2,0,0|2,0,0]=4 31837 B12R2.2383 C1CCC(C1)CNCC2CC2 34a_100000737975_100000742324 [0,0,0,2,0,0|2,0,0]=4 31838 B12R2.2383 C1CCC(C1)CNCC2CO2 2230a_100000737975_100011216344 [0,0,0,2,0,0|1,0,0]=3 31839 B12R2.2383 C1CCC(C1)CNCC2CO2 34a_100000737975_102125554688 [0,0,0,2,0,0|1,0,0]=3 31840 B12R2.2383 C1CCC(C1)COCC2CC2 34a_100000211283_100000740388 [0,0,0,2,0,0|2,0,0]=4 31841 B12R2.2383 C1CCC(C1)COCC2CC2 34a_100000742336_100000742324 [0,0,0,2,0,0|2,0,0]=4 31842 B12R2.2383 C1CCC(C1)COCC2CC2 7a_100000742336_100000742324 [0,0,0,2,0,0|2,0,0]=4 31843 B12R2.2383 C1CCC(C1)COCC2CO2 34a_100000742336_102125554688 [0,0,0,2,0,0|1,0,0]=3 31844 B12R2.2383 C1CCC(C1)COCC2CO2 7a_100000742336_102125554688 [0,0,0,2,0,0|1,0,0]=3 31845 B12R2.2383 C1CCC(C1)COCC2CS2 7a_100000742336_100000031435 [0,0,0,2,0,0|1,1,0]=4 31846 B12R2.2383 C1CCC(C1)COC[C@@H]2CO2 34a_100000757423_100000740388 [0,0,0,2,0,0|1,0,0]=3 31847 B12R2.2383 C1CCC(C1)COC[C@@H]2CO2 7a_100000742336_100000745022 [0,0,0,2,0,0|1,0,0]=3 31848 B12R2.2383 C1CCC(C1)CSCC2CC2 62a_100000740388_100000742324 [0,0,0,2,0,0|2,0,0]=4 31849 B12R2.2383 C1CCC(C1)CSCC2CC2 62a_100000756562_100000740388 [0,0,0,2,0,0|2,0,0]=4 31850 B12R2.2383 C1CCC(C1)CSCC2CO2 62a_100000740388_102125554688 [0,0,0,2,0,0|1,0,0]=3 31851 B12R2.2383 C1CCC(C1)CSCC2CO2 62a_102125554688_100000740388 [0,0,0,2,0,0|1,0,0]=3 31852 B12R2.2383 C1CCC(C1)CSCC2CS2 62a_100000031435_100000740388 [0,0,0,2,0,0|1,1,0]=4 31853 B12R2.2383 C1CCC(C1)CSCC2CS2 62a_100000740388_100000031435 [0,0,0,2,0,0|1,1,0]=4 31854 B12R2.2383 C1CCC(C1)CSC[C@@H]2CO2 62a_100000740388_100000745022 [0,0,0,2,0,0|1,0,0]=3 31855 B12R2.2383 C1CCC(C1)CSC[C@@H]2CO2 62a_100000745022_100000740388 [0,0,0,2,0,0|1,0,0]=3 31856 B12R2.2383 C1CCC(C1)NCCC2CC2 2230a_100000211070_100000694398 [0,0,0,2,0,0|2,0,0]=4 31857 B12R2.2383 C1CCC(C1)NCCC2CC2 270004a_100000764129_100000210133 [0,0,0,2,0,0|2,0,0]=4 31858 B12R2.2383 C1CCC(C1)NCCC2CC2 34a_100000211070_100000694398 [0,0,0,2,0,0|2,0,0]=4 31859 B12R2.2383 C1CCC(C1)NCCC2CC2 34a_100000764129_100000179811 [0,0,0,2,0,0|2,0,0]=4 31860 B12R2.2383 C1CCC(C1)NCCC2CO2 2230a_100000211070_100000732470 [0,0,0,2,0,0|1,0,0]=3 31861 B12R2.2383 C1CCC(C1)NCCC2CO2 34a_100000211070_100000732470 [0,0,0,2,0,0|1,0,0]=3 31862 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000210269_100000694398 [0,0,0,2,0,0|2,0,0]=4 31863 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000754188_100000179811 [0,0,0,2,0,0|2,0,0]=4 31864 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000210269_100000764125 [0,0,0,2,0,0|2,0,0]=4 31865 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000754188_100000179811 [0,0,0,2,0,0|2,0,0]=4 31866 B12R2.2383 C1CCC(C1)OCCC2CO2 34a_100000210269_100000732470 [0,0,0,2,0,0|1,0,0]=3 31867 B12R2.2383 C1CCC(C1)OCCC2CO2 7a_100000210269_100000732470 [0,0,0,2,0,0|1,0,0]=3 31868 B12R2.2383 C1CCC(C1)OCC[C@@H]2CO2 34a_100009820653_100000179811 [0,0,0,2,0,0|1,0,0]=3 31869 B12R2.2383 C1CCC(C1)SCCC2CC2 62a_100000764125_100000179811 [0,0,0,2,0,0|2,0,0]=4 31870 B12R2.2383 C1CCC(C1)SCCC2CC2 62a_100011217020_100000764125 [0,0,0,2,0,0|2,0,0]=4 31871 B12R2.2383 C1CCC(C1)SCCC2CO2 62a_100000732470_100000179811 [0,0,0,2,0,0|1,0,0]=3 31872 B12R2.2383 C1CCC(C1)SCCC2CO2 62a_100011217020_100000732470 [0,0,0,2,0,0|1,0,0]=3 31873 B12R2.2383 C1CCN(C1)CCCC2CO2 2230a_100000188435_100000733510 [0,0,0,2,0,0|1,0,0]=3 31874 B12R2.2383 C1CCN(C1)CCCC2CO2 269982a_100000188435_100000733510 [0,0,0,2,0,0|1,0,0]=3 31875 B12R2.2383 C1CN[C@H](C1)COCC2CC2 34a_100000745186_100000742324 [0,0,0,2,0,0|2,0,0]=4 31876 B12R2.2383 C1CN[C@H](C1)COCC2CO2 34a_100000745186_102125554688 [0,0,0,2,0,0|2,0,0]=4 31877 B12R2.2383 C1COC(C1)CNCC2CC2 2230a_100000735609_100000203698 [0,0,0,2,0,0|1,0,0]=3 31878 B12R2.2383 C1COC(C1)COCC2CC2 34a_100000210270_100000742324 [0,0,0,2,0,0|1,0,0]=3 31879 B12R2.2383 C1COC(C1)COCC2CC2 7a_100000210270_100000742324 [0,0,0,2,0,0|1,0,0]=3 31880 B12R2.2383 C1COC(C1)COCC2CO2 34a_100000210270_102125554688 [0,0,0,2,0,0|2,0,0]=4 31881 B12R2.2383 C1COC(C1)COCC2CO2 7a_100000210270_102125554688 [0,0,0,2,0,0|2,0,0]=4 31882 B12R2.2383 C1COC(C1)COCC2CS2 7a_100000210270_100000031435 [0,0,0,2,0,0|2,0,0]=4 31883 B12R2.2383 C1COC(C1)COC[C@@H]2CO2 7a_100000210270_100000745022 [0,0,0,2,0,0|2,0,0]=4 31884 B12R2.2383 C1COC(C1)CSCC2CC2 62a_100000203698_100000742324 [0,0,0,2,0,0|1,0,0]=3 31885 B12R2.2383 C1COC(C1)CSCC2CC2 62a_100000756562_100000203698 [0,0,0,2,0,0|1,0,0]=3 31886 B12R2.2383 C1COC(C1)CSCC2CO2 62a_100000203698_102125554688 [0,0,0,2,0,0|2,0,0]=4 31887 B12R2.2383 C1COC(C1)CSCC2CO2 62a_102125554688_100000203698 [0,0,0,2,0,0|2,0,0]=4 31888 B12R2.2383 C1COC(C1)CSCC2CS2 62a_100000031435_100000203698 [0,0,0,2,0,0|2,0,0]=4 31889 B12R2.2383 C1COC(C1)CSCC2CS2 62a_100000203698_100000031435 [0,0,0,2,0,0|2,0,0]=4 31890 B12R2.2383 C1COC(C1)CSC[C@@H]2CO2 62a_100000203698_100000745022 [0,0,0,2,0,0|2,0,0]=4 31891 B12R2.2383 C1COC(C1)CSC[C@@H]2CO2 62a_100000745022_100000203698 [0,0,0,2,0,0|2,0,0]=4 31892 B12R2.2383 C1COC(C1)OCCC2CC2 34a_100000085407_100000694398 [0,0,0,2,0,0|1,0,0]=3 31893 B12R2.2383 C1COC(C1)OCCC2CO2 34a_100000085407_100000732470 [0,0,0,2,0,0|2,0,0]=4 31894 B12R2.2383 C1COC(O1)CNCC2CC2 2230a_100000036311_100000742324 [0,0,0,2,0,0|2,0,0]=4 31895 B12R2.2383 C1COC(O1)CNCC2CC2 2230a_100000735609_100000755774 [0,0,0,2,0,0|2,0,0]=4 31896 B12R2.2383 C1COC(O1)CNCC2CC2 34a_100000036311_100000742324 [0,0,0,2,0,0|2,0,0]=4 31897 B12R2.2383 C1COC(O1)CNCC2CC2 34a_100000735609_100000755774 [0,0,0,2,0,0|2,0,0]=4 31898 B12R2.2383 C1COC(O1)COCC2CC2 34a_100000087154_100000742324 [0,0,0,2,0,0|2,0,0]=4 31899 B12R2.2383 C1COC(O1)COCC2CC2 34a_100000211283_100000755774 [0,0,0,2,0,0|2,0,0]=4 31900 B12R2.2383 C1COC(O1)CSCC2CC2 62a_100000755774_100000742324 [0,0,0,2,0,0|2,0,0]=4 31901 B12R2.2383 C1COC(O1)CSCC2CC2 62a_100000756562_100000755774 [0,0,0,2,0,0|2,0,0]=4 31902 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 2230a_100020590478_100000742324 [0,0,0,2,0,0|1,0,0]=3 31903 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 269862a_100020590478_100000741477 [0,0,0,2,0,0|1,0,0]=3 31904 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 34a_100020590478_100000742324 [0,0,0,2,0,0|1,0,0]=3 31905 B12R2.2383 C1CO[C@@H](C1)CNCC2CO2 2230a_100020590478_100011216344 [0,0,0,2,0,0|2,0,0]=4 31906 B12R2.2383 C1CO[C@@H](C1)CNCC2CO2 34a_100020590478_102125554688 [0,0,0,2,0,0|2,0,0]=4 31907 B12R2.2383 C1C[C@@H](CO1)OCCC2CO2 34a_100000717292_100000732470 [0,0,0,2,0,0|2,0,0]=4 31908 B12R2.2383 C1OCC(O1)COCC2CC2 34a_100011216627_100000742324 [0,0,0,2,0,0|2,0,0]=4 31909 B12R2.24 CN1CCC2CCCCC2C1 2230a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 31910 B12R2.24 CN1CCC2CCCCC2C1 269982a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 31911 B12R2.24 CN1CCC2CCCCC2C1 34a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 31912 B12R2.24 [13CH3]N1CCC2CCCCC2C1 2230a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 31913 B12R2.24 [13CH3]N1CCC2CCCCC2C1 269982a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 31914 B12R2.24 [13CH3]N1CCC2CCCCC2C1 34a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 31915 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210202 [0,0,0,2,0,0|2,0,0]=4 31916 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000204670 [0,0,0,2,0,0|2,0,0]=4 31917 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000210202 [0,0,0,2,0,0|2,0,0]=4 31918 B12R2.32 FCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100015361967 [0,0,0,2,0,0|2,0,0]=4 31919 B12R2.32 FCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100015361967 [0,0,0,2,0,0|2,0,0]=4 31920 B12R2.225 CC1CCCCC1NC2CC2 34a_100000211402_100000211595 [0,0,0,2,0,0|2,0,0]=4 31921 B12R2.225 CC1CCCCC1OC2CC2 34a_100000211207_100000211595 [0,0,0,2,0,0|2,0,0]=4 31922 B12R2.225 CC1CCCCN1CC2CC2 2230a_100000211376_100000742324 [0,0,0,2,0,0|2,0,0]=4 31923 B12R2.225 CC1CCCCN1CC2CC2 269982a_100000211376_100000756562 [0,0,0,2,0,0|2,0,0]=4 31924 B12R2.225 CC1CCCCN1CC2CC2 34a_100000211376_100000742324 [0,0,0,2,0,0|2,0,0]=4 31925 B12R2.225 CC1CCCCN1CC2CO2 2230a_100000211376_100011216344 [0,0,0,2,0,0|1,0,0]=3 31926 B12R2.225 CC1CCCCN1CC2CO2 269982a_100000211376_102125554688 [0,0,0,2,0,0|1,0,0]=3 31927 B12R2.225 CC1CCCCN1CC2CO2 34a_100000211376_102125554688 [0,0,0,2,0,0|1,0,0]=3 31928 B12R2.225 CC1CCCCN1CC2CS2 269982a_100000211376_100000031435 [0,0,0,2,0,0|1,1,0]=4 31929 B12R2.225 CC1CCCCN1C[C@@H]2CO2 269982a_100000211376_100000745022 [0,0,0,2,0,0|1,0,0]=3 31930 B12R2.225 C[C@H]1COCCN1CC2CO2 2230a_100009815349_100011216344 [0,0,0,2,0,0|2,0,0]=4 31931 B12R2.225 C[C@H]1COCCN1CC2CO2 269982a_100009815349_102125554688 [0,0,0,2,0,0|2,0,0]=4 31932 B12R2.225 C[C@H]1COCCN1CC2CO2 34a_100009815349_102125554688 [0,0,0,2,0,0|2,0,0]=4 31933 B12R2.225 C[C@H]1COCCN1C[C@@H]2CO2 269982a_100009815349_100000745022 [0,0,0,2,0,0|2,0,0]=4 31934 B12R2.225 ClC1CCCCC1OC2CC2 34a_100000038908_100000211595 [0,0,0,2,0,0|2,0,0]=4 31935 B12R2.225 FC1CCCCC1NC2CC2 34a_100000212008_100015423560 [0,0,0,2,0,0|2,0,0]=4 31936 B12R2.225 FC1CCCCC1SC2CC2 62a_100015423560_100000211595 [0,0,0,2,0,0|2,0,0]=4 31937 B12R2.225 F[C@@H]1CCCC[C@H]1NC2CC2 34a_100015195156_100000211595 [0,0,0,2,0,0|2,0,0]=4 31938 B12R2.225 F[C@@H]1CCCC[C@H]1OC2CC2 34a_100009816020_100000211595 [0,0,0,2,0,0|2,0,0]=4 31939 B12R2.225 N[C@@H]1CCCC[C@@H]1OC2CC2 34a_100015191688_100000211595 [0,0,0,2,0,0|2,0,0]=4 31940 B12R2.225 OC1CCCCC1NC2CC2 34a_100000212008_100000038908 [0,0,0,2,0,0|1,0,0]=3 31941 B12R2.225 OC1CCCCC1SC2CC2 62a_100000038908_100000211595 [0,0,0,2,0,0|1,0,0]=3 31942 B12R2.517 CC1CCCCN1C2CCC2 269982a_100000211376_100000749161 [0,0,0,2,0,0|2,0,0]=4 31943 B12R2.517 CC1CCCCN1C2CCC2 270004a_100000211376_100000241760 [0,0,0,2,0,0|2,0,0]=4 31944 B12R2.517 CC1CCCCN1C2CCC2 34a_100000211376_100000749161 [0,0,0,2,0,0|2,0,0]=4 31945 B12R2.517 FC1CCCCC1N2CCC2 269982a_100000754969_100015423560 [0,0,0,2,0,0|2,0,0]=4 31946 B12R2.517 OC1CCCCC1N2CCC2 269982a_100000754969_100000038908 [0,0,0,2,0,0|1,0,0]=3 31947 B12R2.1081 CN1CCCC2C1CCCC2 2230a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 31948 B12R2.1081 CN1CCCC2C1CCCC2 269982a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 31949 B12R2.1081 CN1CCCC2C1CCCC2 34a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 31950 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 2230a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 31951 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 269982a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 31952 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 34a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 31953 B12R2.1515 CCCNC1CCCC2C1C2 269862a_100020643023_100000697651 [0,0,0,2,0,0|2,0,0]=4 31954 B12R2.1515 FCCNC1CCCC2C1C2 269862a_100000724931_100000697651 [0,0,0,2,0,0|2,0,0]=4 31955 B12R2.1515 OCCNC1CCCC2C1C2 269862a_100000210304_100000697651 [0,0,0,2,0,0|1,0,0]=3 31956 B12R2.44 COC1CCC2CCCC2C1 34a_100000073670_200000210301 [0,0,0,2,0,0|2,0,0]=4 31957 B12R2.44 COC1CCC2CCCC2C1 7a_100000073670_200000210301 [0,0,0,2,0,0|2,0,0]=4 31958 B12R2.44 [13CH3]OC1CCC2CCCC2C1 34a_100000073670_200025704644 [0,0,0,2,0,0|2,0,0]=4 31959 B12R2.44 [13CH3]OC1CCC2CCCC2C1 7a_100000073670_200025704644 [0,0,0,2,0,0|2,0,0]=4 31960 B12R2.264 BrCCOC1C2CCC1CC2 34a_100000211926_100009813300 [0,0,0,2,0,0|2,0,0]=4 31961 B12R2.264 CCCCN1C2CCC1CC2 2230a_100000735658_100000210211 [0,0,0,2,0,0|2,0,0]=4 31962 B12R2.264 CCCCN1C2CCC1CC2 269982a_100000735658_100000210211 [0,0,0,2,0,0|2,0,0]=4 31963 B12R2.264 CCCCN1C2CCC1CC2 34a_100000735658_100000210210 [0,0,0,2,0,0|2,0,0]=4 31964 B12R2.264 CCCOC1C2CCC1CC2 34a_100000210258_100009813300 [0,0,0,2,0,0|2,0,0]=4 31965 B12R2.264 CCCSC1C2CCC1CC2 62a_100000210303_100009813300 [0,0,0,2,0,0|2,0,0]=4 31966 B12R2.264 CCCSC1C2CCC1CC2 62a_100009813300_100000210303 [0,0,0,2,0,0|2,0,0]=4 31967 B12R2.264 FCCCN1C2CCC1CC2 2230a_100000735658_100011934791 [0,0,0,2,0,0|2,0,0]=4 31968 B12R2.264 FCCCN1C2CCC1CC2 269982a_100000735658_100011934791 [0,0,0,2,0,0|2,0,0]=4 31969 B12R2.264 FCCCN1C2CCC1CC2 34a_100000735658_100011934791 [0,0,0,2,0,0|2,0,0]=4 31970 B12R2.264 FCCNC1C2CCC1CC2 34a_100000724931_100009813300 [0,0,0,2,0,0|2,0,0]=4 31971 B12R2.264 FCCSC1C2CCC1CC2 62a_100009813300_100011217306 [0,0,0,2,0,0|2,0,0]=4 31972 B12R2.264 FCCSC1C2CCC1CC2 62a_100011217306_100009813300 [0,0,0,2,0,0|2,0,0]=4 31973 B12R2.264 NCCOC1C2CCC1CC2 34a_100000210304_100009813300 [0,0,0,2,0,0|2,0,0]=4 31974 B12R2.264 OCCCN1C2CCC1CC2 2230a_100000735658_100000230001 [0,0,0,2,0,0|1,0,0]=3 31975 B12R2.264 OCCCN1C2CCC1CC2 269982a_100000735658_100011215043 [0,0,0,2,0,0|1,0,0]=3 31976 B12R2.264 OCCCN1C2CCC1CC2 34a_100000735658_100000230001 [0,0,0,2,0,0|1,0,0]=3 31977 B12R2.264 OCCNC1C2CCC1CC2 34a_100016990907_100009813300 [0,0,0,2,0,0|1,0,0]=3 31978 B12R2.264 OCCSC1C2CCC1CC2 62a_100000211926_100009813300 [0,0,0,2,0,0|1,0,0]=3 31979 B12R2.264 OCCSC1C2CCC1CC2 62a_100009813300_100000211926 [0,0,0,2,0,0|1,0,0]=3 31980 B12R2.297 CCCCN1CCCC12CC2 2230a_100020620911_100000210211 [0,0,0,2,0,0|2,0,0]=4 31981 B12R2.297 CCCCN1CCCC12CC2 269982a_100020620911_100000210211 [0,0,0,2,0,0|2,0,0]=4 31982 B12R2.297 CCCCN1CCCC12CC2 34a_100020620911_100000210210 [0,0,0,2,0,0|2,0,0]=4 31983 B12R2.297 CCCNC1CCCC12CC2 269862a_100020643023_100009881796 [0,0,0,2,0,0|2,0,0]=4 31984 B12R2.297 FCCCN1CCCC12CC2 2230a_100020620911_100011934791 [0,0,0,2,0,0|2,0,0]=4 31985 B12R2.297 FCCCN1CCCC12CC2 269982a_100020620911_100011934791 [0,0,0,2,0,0|2,0,0]=4 31986 B12R2.297 FCCCN1CCCC12CC2 34a_100020620911_100011934791 [0,0,0,2,0,0|2,0,0]=4 31987 B12R2.297 FCCNC1CCCC12CC2 269862a_100000724931_100009881796 [0,0,0,2,0,0|2,0,0]=4 31988 B12R2.297 OCCCN1CCCC12CC2 2230a_100020620911_100000230001 [0,0,0,2,0,0|1,0,0]=3 31989 B12R2.297 OCCCN1CCCC12CC2 269982a_100020620911_100011215043 [0,0,0,2,0,0|1,0,0]=3 31990 B12R2.297 OCCCN1CCCC12CC2 34a_100020620911_100000230001 [0,0,0,2,0,0|1,0,0]=3 31991 B12R2.297 OCCNC1CCCC12CC2 269862a_100000210304_100009881796 [0,0,0,2,0,0|1,0,0]=3 31992 B12R2.324 CCC1CCCN1CC2CC2 2230a_100000754278_100000742324 [0,0,0,2,0,0|2,0,0]=4 31993 B12R2.324 CCC1CCCN1CC2CC2 269982a_100000754278_100000756562 [0,0,0,2,0,0|2,0,0]=4 31994 B12R2.324 CCC1CCCN1CC2CC2 34a_100000754278_100000742324 [0,0,0,2,0,0|2,0,0]=4 31995 B12R2.324 CCC1CCCN1CC2CO2 2230a_100000754278_100011216344 [0,0,0,2,0,0|1,0,0]=3 31996 B12R2.324 CCC1CCCN1CC2CO2 269982a_100000754278_102125554688 [0,0,0,2,0,0|1,0,0]=3 31997 B12R2.324 CCC1CCCN1CC2CO2 34a_100000754278_102125554688 [0,0,0,2,0,0|1,0,0]=3 31998 B12R2.324 CCC1CCCN1CC2CS2 269982a_100000754278_100000031435 [0,0,0,2,0,0|1,1,0]=4 31999 B12R2.324 CCC1CCCN1C[C@@H]2CO2 269982a_100000754278_100000745022 [0,0,0,2,0,0|1,0,0]=3 32000 B12R2.324 OC[C@H]1CCCN1CC2CC2 2230a_100000745186_100000742324 [0,0,0,2,0,0|1,0,0]=3 32001 B12R2.324 OC[C@H]1CCCN1CC2CC2 269982a_100000745186_100000756562 [0,0,0,2,0,0|1,0,0]=3 32002 B12R2.324 OC[C@H]1CCCN1CC2CC2 34a_100000745186_100000742324 [0,0,0,2,0,0|1,0,0]=3 32003 B12R2.324 OC[C@H]1CCCN1CC2CO2 2230a_100000745186_100011216344 [0,0,0,2,0,0|2,0,0]=4 32004 B12R2.324 OC[C@H]1CCCN1CC2CO2 269982a_100000745186_102125554688 [0,0,0,2,0,0|2,0,0]=4 32005 B12R2.324 OC[C@H]1CCCN1CC2CO2 34a_100000745186_102125554688 [0,0,0,2,0,0|2,0,0]=4 32006 B12R2.324 OC[C@H]1CCCN1CC2CS2 269982a_100000745186_100000031435 [0,0,0,2,0,0|2,0,0]=4 32007 B12R2.324 OC[C@H]1CCCN1C[C@@H]2CO2 269982a_100000745186_100000745022 [0,0,0,2,0,0|2,0,0]=4 32008 B12R2.2140 CCC1CCCN1C2CCC2 269982a_100000754278_100000749161 [0,0,0,2,0,0|2,0,0]=4 32009 B12R2.2140 CCC1CCCN1C2CCC2 270004a_100000754278_100000241760 [0,0,0,2,0,0|2,0,0]=4 32010 B12R2.2140 CCC1CCCN1C2CCC2 34a_100000754278_100000749161 [0,0,0,2,0,0|2,0,0]=4 32011 B12R2.2140 OC[C@H]1CCCN1C2CCC2 269982a_100000745186_100000749161 [0,0,0,2,0,0|1,0,0]=3 32012 B12R2.2140 OC[C@H]1CCCN1C2CCC2 270004a_100000745186_100000241760 [0,0,0,2,0,0|1,0,0]=3 32013 B12R2.2140 OC[C@H]1CCCN1C2CCC2 34a_100000745186_100000749161 [0,0,0,2,0,0|1,0,0]=3 32014 B12R2.2140 OC[C@H]1CCCN1C2COC2 269982a_100000745186_100000687716 [0,0,0,2,0,0|2,0,0]=4 32015 B12R2.2140 OC[C@H]1CCCN1C2COC2 34a_100000745186_100009818527 [0,0,0,2,0,0|2,0,0]=4 32016 B12R2.11 F[C@@H]1C[C@H]1NC2CCCCC2 34a_100025746932_100000210327 [0,0,0,2,0,0|2,0,0]=4 32017 B12R2.16 CNCC1CC12CCCCC2 2230a_100015185624_200000210301 [0,0,0,2,0,0|2,0,0]=4 32018 B12R2.16 CNCC1CC12CCCCC2 34a_100015185624_200000210301 [0,0,0,2,0,0|2,0,0]=4 32019 B12R2.16 [13CH3]NCC1CC12CCCCC2 2230a_100015185624_200025704644 [0,0,0,2,0,0|2,0,0]=4 32020 B12R2.16 [13CH3]NCC1CC12CCCCC2 34a_100015185624_200025704644 [0,0,0,2,0,0|2,0,0]=4 32021 B12R2.23 CC1CCN1C2CCCCC2 269982a_100000755817_100000210327 [0,0,0,2,0,0|2,0,0]=4 32022 B12R2.23 CC1CCN1C2CCCCC2 34a_100000755817_100000210327 [0,0,0,2,0,0|2,0,0]=4 32023 B12R2.186 CCCN1CC2CCC1CC2 2230a_100000750499_100000210303 [0,0,0,2,0,0|2,0,0]=4 32024 B12R2.186 CCCN1CC2CCC1CC2 269982a_100000750499_100000210303 [0,0,0,2,0,0|2,0,0]=4 32025 B12R2.186 CCCN1CC2CCC1CC2 34a_100000750499_100000210303 [0,0,0,2,0,0|2,0,0]=4 32026 B12R2.186 FCCN1CC2CCC1CC2 2230a_100000750499_100011217306 [0,0,0,2,0,0|2,0,0]=4 32027 B12R2.186 FCCN1CC2CCC1CC2 269982a_100000750499_100011217306 [0,0,0,2,0,0|2,0,0]=4 32028 B12R2.186 FCCN1CC2CCC1CC2 34a_100000750499_100011217306 [0,0,0,2,0,0|2,0,0]=4 32029 B12R2.186 OCCN1CC2CCC1CC2 2230a_100000750499_100000211926 [0,0,0,2,0,0|1,0,0]=3 32030 B12R2.186 OCCN1CC2CCC1CC2 269982a_100000750499_100000211926 [0,0,0,2,0,0|1,0,0]=3 32031 B12R2.186 OCCN1CC2CCC1CC2 34a_100000750499_100000211926 [0,0,0,2,0,0|1,0,0]=3 32032 B12R2.1974 CCCCNC1CCC2C1C2 269862a_100000102301_100000692480 [0,0,0,2,0,0|2,0,0]=4 32033 B12R2.1974 CCCCNC1CCC2C1C2 270004a_100000102301_100000692480 [0,0,0,2,0,0|2,0,0]=4 32034 B12R2.1974 CCCCOC1CCC2C1C2 34a_200012295571_100000210210 [0,0,0,2,0,0|2,0,0]=4 32035 B12R2.1974 FCCCNC1CCC2C1C2 269862a_100015189416_100000692480 [0,0,0,2,0,0|2,0,0]=4 32036 B12R2.1974 FCCCNC1CCC2C1C2 270004a_100015189416_100000692480 [0,0,0,2,0,0|2,0,0]=4 32037 B12R2.1974 FCCCOC1CCC2C1C2 34a_200012295571_100011934791 [0,0,0,2,0,0|2,0,0]=4 32038 B12R2.1974 OCCCNC1CCC2C1C2 269862a_100000182051_100000692480 [0,0,0,2,0,0|1,0,0]=3 32039 B12R2.1974 OCCCNC1CCC2C1C2 270004a_100000182051_100000692480 [0,0,0,2,0,0|1,0,0]=3 32040 B12R2.1974 OCCCOC1CCC2C1C2 34a_200012295571_100000230001 [0,0,0,2,0,0|1,0,0]=3 32041 B12R2.2057 C1CC(CCO1)NCC2CO2 2230a_100000741149_100011216344 [0,0,0,2,0,0|2,0,0]=4 32042 B12R2.2057 C1CC(CCO1)NCC2CO2 34a_100000741149_102125554688 [0,0,0,2,0,0|2,0,0]=4 32043 B12R2.2057 C1CC(CCO1)OCC2CO2 34a_100000744328_102125554688 [0,0,0,2,0,0|2,0,0]=4 32044 B12R2.2057 C1CC(CCO1)SCC2CO2 62a_102125554688_100011324220 [0,0,0,2,0,0|2,0,0]=4 32045 B12R2.2057 C1CC(CCO1)SC[C@@H]2CO2 62a_100000745022_100011324220 [0,0,0,2,0,0|2,0,0]=4 32046 B12R2.2057 C1CC(CCS1)NCC2CO2 2230a_100000748639_100011216344 [0,0,0,2,0,0|2,0,0]=4 32047 B12R2.2057 C1CC(CCS1)NCC2CO2 34a_100000748639_102125554688 [0,0,0,2,0,0|2,0,0]=4 32048 B12R2.2057 C1CC(CCS1)OCC2CO2 34a_100000731022_102125554688 [0,0,0,2,0,0|2,0,0]=4 32049 B12R2.2057 C1CC(CCS1)OCC2CO2 7a_100000731022_102125554688 [0,0,0,2,0,0|2,0,0]=4 32050 B12R2.2057 C1CC(CCS1)OC[C@@H]2CO2 34a_100000757423_100000069128 [0,0,0,2,0,0|2,0,0]=4 32051 B12R2.2057 C1CC(CCS1)OC[C@@H]2CO2 7a_100000731022_100000745022 [0,0,0,2,0,0|2,0,0]=4 32052 B12R2.2057 C1CC(CCS1)SCC2CO2 62a_102125554688_100000069128 [0,0,0,2,0,0|2,0,0]=4 32053 B12R2.2057 C1CC(CCS1)SC[C@@H]2CO2 62a_100000745022_100000069128 [0,0,0,2,0,0|2,0,0]=4 32054 B12R2.2057 C1CCC(CC1)CNC2CC2 34a_100000210473_100000211595 [0,0,0,2,0,0|2,0,0]=4 32055 B12R2.2057 C1CCC(CC1)CNC2CC2 34a_100000212008_100000211423 [0,0,0,2,0,0|2,0,0]=4 32056 B12R2.2057 C1CCC(CC1)COC2CC2 34a_100000212181_100000211595 [0,0,0,2,0,0|2,0,0]=4 32057 B12R2.2057 C1CCC(CC1)CSC2CC2 62a_100000211423_100000211595 [0,0,0,2,0,0|2,0,0]=4 32058 B12R2.2057 C1CCC(CC1)NCC2CC2 2230a_100000182618_100000742324 [0,0,0,2,0,0|2,0,0]=4 32059 B12R2.2057 C1CCC(CC1)NCC2CC2 269862a_100000182618_100000741477 [0,0,0,2,0,0|2,0,0]=4 32060 B12R2.2057 C1CCC(CC1)NCC2CC2 270004a_100000735609_100000210434 [0,0,0,2,0,0|2,0,0]=4 32061 B12R2.2057 C1CCC(CC1)NCC2CC2 34a_100000182618_100000742324 [0,0,0,2,0,0|2,0,0]=4 32062 B12R2.2057 C1CCC(CC1)NCC2CC2 34a_100000735609_100000210327 [0,0,0,2,0,0|2,0,0]=4 32063 B12R2.2057 C1CCC(CC1)NCC2CO2 2230a_100000182618_100011216344 [0,0,0,2,0,0|1,0,0]=3 32064 B12R2.2057 C1CCC(CC1)NCC2CO2 34a_100000182618_102125554688 [0,0,0,2,0,0|1,0,0]=3 32065 B12R2.2057 C1CCC(CC1)OCC2CC2 34a_100000210231_100000742324 [0,0,0,2,0,0|2,0,0]=4 32066 B12R2.2057 C1CCC(CC1)OCC2CC2 34a_100000211283_100000210327 [0,0,0,2,0,0|2,0,0]=4 32067 B12R2.2057 C1CCC(CC1)OCC2CC2 7a_100000210231_100000742324 [0,0,0,2,0,0|2,0,0]=4 32068 B12R2.2057 C1CCC(CC1)OCC2CO2 34a_100000210231_102125554688 [0,0,0,2,0,0|1,0,0]=3 32069 B12R2.2057 C1CCC(CC1)OCC2CO2 7a_100000210231_102125554688 [0,0,0,2,0,0|1,0,0]=3 32070 B12R2.2057 C1CCC(CC1)OCC2CS2 7a_100000210231_100000031435 [0,0,0,2,0,0|1,1,0]=4 32071 B12R2.2057 C1CCC(CC1)OC[C@@H]2CO2 34a_100000757423_100000210327 [0,0,0,2,0,0|1,0,0]=3 32072 B12R2.2057 C1CCC(CC1)OC[C@@H]2CO2 7a_100000210231_100000745022 [0,0,0,2,0,0|1,0,0]=3 32073 B12R2.2057 C1CCC(CC1)SCC2CC2 62a_100000210327_100000742324 [0,0,0,2,0,0|2,0,0]=4 32074 B12R2.2057 C1CCC(CC1)SCC2CC2 62a_100000756562_100000210327 [0,0,0,2,0,0|2,0,0]=4 32075 B12R2.2057 C1CCC(CC1)SCC2CO2 62a_100000210327_102125554688 [0,0,0,2,0,0|1,0,0]=3 32076 B12R2.2057 C1CCC(CC1)SCC2CO2 62a_102125554688_100000210327 [0,0,0,2,0,0|1,0,0]=3 32077 B12R2.2057 C1CCC(CC1)SCC2CS2 62a_100000031435_100000210327 [0,0,0,2,0,0|1,1,0]=4 32078 B12R2.2057 C1CCC(CC1)SCC2CS2 62a_100000210327_100000031435 [0,0,0,2,0,0|1,1,0]=4 32079 B12R2.2057 C1CCC(CC1)SC[C@@H]2CO2 62a_100000210327_100000745022 [0,0,0,2,0,0|1,0,0]=3 32080 B12R2.2057 C1CCC(CC1)SC[C@@H]2CO2 62a_100000745022_100000210327 [0,0,0,2,0,0|1,0,0]=3 32081 B12R2.2057 C1CCC(NC1)COC2CC2 34a_100000210821_100000211595 [0,0,0,2,0,0|2,0,0]=4 32082 B12R2.2057 C1CCC(OC1)CNC2CC2 34a_100000174945_100000211595 [0,0,0,2,0,0|1,0,0]=3 32083 B12R2.2057 C1CCC(OC1)CNC2CC2 34a_100000212008_100000211543 [0,0,0,2,0,0|1,0,0]=3 32084 B12R2.2057 C1CCC(OC1)COC2CC2 34a_100000211370_100000211595 [0,0,0,2,0,0|1,0,0]=3 32085 B12R2.2057 C1CCC(OC1)CSC2CC2 62a_100000211543_100000211595 [0,0,0,2,0,0|1,0,0]=3 32086 B12R2.2057 C1CCC(OC1)OCC2CC2 34a_100000033831_100000742324 [0,0,0,2,0,0|1,0,0]=3 32087 B12R2.2057 C1CCC(OC1)OCC2CO2 34a_100000033831_102125554688 [0,0,0,2,0,0|2,0,0]=4 32088 B12R2.2057 C1CN(CCO1)CCC2CO2 2230a_100015191051_100000732470 [0,0,0,2,0,0|2,0,0]=4 32089 B12R2.2057 C1CN(CCO1)CCC2CO2 269982a_100015191051_100000732470 [0,0,0,2,0,0|2,0,0]=4 32090 B12R2.2057 C1CN(CCO1)CCC2CO2 34a_100015191051_100000732470 [0,0,0,2,0,0|2,0,0]=4 32091 B12R2.2057 C1CN(CCS1)CCC2CO2 2230a_100000737611_100000732470 [0,0,0,2,0,0|2,0,0]=4 32092 B12R2.2057 C1CN(CCS1)CCC2CO2 269982a_100000737611_100000732470 [0,0,0,2,0,0|2,0,0]=4 32093 B12R2.2057 C1COCC(C1)NCC2CO2 2230a_100000719290_100011216344 [0,0,0,2,0,0|2,0,0]=4 32094 B12R2.2057 C1COCC(C1)NCC2CO2 34a_100000719290_102125554688 [0,0,0,2,0,0|2,0,0]=4 32095 B12R2.2057 C1COCC(C1)OCC2CO2 34a_100000754041_102125554688 [0,0,0,2,0,0|2,0,0]=4 32096 B12R2.2057 C1COCC(C1)OC[C@@H]2CO2 34a_100000757423_100000693364 [0,0,0,2,0,0|2,0,0]=4 32097 B12R2.2057 C1COCC(C1)SCC2CO2 62a_102125554688_100000693364 [0,0,0,2,0,0|2,0,0]=4 32098 B12R2.2057 C1COCC(C1)SC[C@@H]2CO2 62a_100000745022_100000693364 [0,0,0,2,0,0|2,0,0]=4 32099 B12R2.2057 C1COCN(C1)CCC2CO2 2230a_100000131196_100000732470 [0,0,0,2,0,0|2,0,0]=4 32100 B12R2.2057 C1COCN(C1)CCC2CO2 269982a_100000131196_100000732470 [0,0,0,2,0,0|2,0,0]=4 32101 B12R2.2057 C1COCN(C1)CCC2CO2 34a_100000131196_100000732470 [0,0,0,2,0,0|2,0,0]=4 32102 B12R2.2057 C1CO[C@@H](CN1)COC2CC2 34a_100015189573_100000211595 [0,0,0,2,0,0|2,0,0]=4 32103 B12R2.2057 C1CO[C@H](CO1)CNC2CC2 34a_100010981119_100000211595 [0,0,0,2,0,0|2,0,0]=4 32104 B12R2.2057 C1CO[C@H](CO1)COC2CC2 34a_100009875890_100000211595 [0,0,0,2,0,0|2,0,0]=4 32105 B12R2.2057 C1CSCC(C1)OCC2CO2 7a_100015962668_102125554688 [0,0,0,2,0,0|2,0,0]=4 32106 B12R2.2057 C1CSCC(C1)OC[C@@H]2CO2 7a_100015962668_100000745022 [0,0,0,2,0,0|2,0,0]=4 32107 B12R2.2058 C1CC(O1)CN2CCSCC2 2230a_100000737611_100000103362 [0,0,0,2,0,0|2,0,0]=4 32108 B12R2.2058 C1CC(O1)CN2CCSCC2 269982a_100000737611_100000103362 [0,0,0,2,0,0|2,0,0]=4 32109 B12R2.2058 C1CCC(CC1)CN2CCC2 269982a_100000754969_100000211423 [0,0,0,2,0,0|2,0,0]=4 32110 B12R2.2058 C1CCC(CC1)NC2CCC2 270004a_100000182618_100000241760 [0,0,0,2,0,0|2,0,0]=4 32111 B12R2.2058 C1CCC(CC1)NC2CCC2 34a_100000182618_100000749161 [0,0,0,2,0,0|2,0,0]=4 32112 B12R2.2058 C1CCC(CC1)NC2CCC2 34a_100000749019_100000210327 [0,0,0,2,0,0|2,0,0]=4 32113 B12R2.2058 C1CCC(CC1)OC2CCC2 34a_100000210231_100000749161 [0,0,0,2,0,0|2,0,0]=4 32114 B12R2.2058 C1CCC(CC1)OC2CCC2 34a_100000748187_100000210327 [0,0,0,2,0,0|2,0,0]=4 32115 B12R2.2058 C1CCC(CC1)SC2CCC2 62a_100000210327_100000749161 [0,0,0,2,0,0|2,0,0]=4 32116 B12R2.2058 C1CCC(OC1)CN2CCC2 269982a_100000754969_100000211543 [0,0,0,2,0,0|1,0,0]=3 32117 B12R2.2058 C1CCC(OC1)OC2CCC2 34a_100000033831_100000749161 [0,0,0,2,0,0|1,0,0]=3 32118 B12R2.2058 C1CCC(OC1)OC2COC2 34a_100000033831_100009818527 [0,0,0,2,0,0|2,0,0]=4 32119 B12R2.2058 C1CN(CCO1)CC2CCO2 2230a_100015191051_100000103362 [0,0,0,2,0,0|2,0,0]=4 32120 B12R2.2058 C1CN(CCO1)CC2CCO2 269982a_100015191051_100000103362 [0,0,0,2,0,0|2,0,0]=4 32121 B12R2.2058 C1CN(CCO1)CC2CCO2 34a_100015191051_100000103362 [0,0,0,2,0,0|2,0,0]=4 32122 B12R2.2058 C1COCN(C1)CC2CCO2 2230a_100000131196_100000103362 [0,0,0,2,0,0|2,0,0]=4 32123 B12R2.2058 C1COCN(C1)CC2CCO2 269982a_100000131196_100000103362 [0,0,0,2,0,0|2,0,0]=4 32124 B12R2.2058 C1COCN(C1)CC2CCO2 34a_100000131196_100000103362 [0,0,0,2,0,0|2,0,0]=4 32125 B12R2.2110 CCCCCN1CC2CC2C1 2230a_100000741873_100000210326 [0,0,0,2,0,0|2,0,0]=4 32126 B12R2.2110 CCCCCN1CC2CC2C1 269982a_100000741873_100000210215 [0,0,0,2,0,0|2,0,0]=4 32127 B12R2.2110 CCCCCN1CC2CC2C1 34a_100000741873_100000718602 [0,0,0,2,0,0|2,0,0]=4 32128 B12R2.2110 CCCCNC1CC2CC2C1 270004a_100000102301_100010340937 [0,0,0,2,0,0|2,0,0]=4 32129 B12R2.2110 FCCCCN1CC2CC2C1 2230a_100000741873_100000729493 [0,0,0,2,0,0|2,0,0]=4 32130 B12R2.2110 FCCCCN1CC2CC2C1 269982a_100000741873_100000729493 [0,0,0,2,0,0|2,0,0]=4 32131 B12R2.2110 FCCCCN1CC2CC2C1 34a_100000741873_100000729493 [0,0,0,2,0,0|2,0,0]=4 32132 B12R2.2110 FCCCNC1CC2CC2C1 270004a_100015189416_100010340937 [0,0,0,2,0,0|2,0,0]=4 32133 B12R2.2110 OCCCCN1CC2CC2C1 2230a_100000741873_100000210776 [0,0,0,2,0,0|1,0,0]=3 32134 B12R2.2110 OCCCCN1CC2CC2C1 269982a_100000741873_100000210776 [0,0,0,2,0,0|1,0,0]=3 32135 B12R2.2110 OCCCCN1CC2CC2C1 34a_100000741873_100011216708 [0,0,0,2,0,0|1,0,0]=3 32136 B12R2.2110 OCCCNC1CC2CC2C1 270004a_100000182051_100010340937 [0,0,0,2,0,0|1,0,0]=3 32137 B12R2.165 OCCN1C2CCC1COC2 2230a_100015205251_100000211926 [0,0,0,2,0,0|2,0,0]=4 32138 B12R2.165 OCCN1C2CCC1COC2 269982a_100015205251_100000211926 [0,0,0,2,0,0|2,0,0]=4 32139 B12R2.165 OCCN1C2CCC1COC2 34a_100015205251_100000211926 [0,0,0,2,0,0|2,0,0]=4 32140 B12R2.2048 CCC1CCCCN1C2CC2 269982a_100000210034_100000211595 [0,0,0,2,0,0|2,0,0]=4 32141 B12R2.2048 CCC1CCCCN1C2CC2 34a_100000210034_100000211595 [0,0,0,2,0,0|2,0,0]=4 32142 B12R2.2048 OCC1CCCCN1C2CC2 269982a_100000210821_100000211595 [0,0,0,2,0,0|1,0,0]=3 32143 B12R2.2048 OCC1CCCCN1C2CC2 34a_100000210821_100000211595 [0,0,0,2,0,0|1,0,0]=3 32144 B12R2.2048 OC[C@@H]1COCCN1C2CC2 269982a_100000717676_100000211595 [0,0,0,2,0,0|2,0,0]=4 32145 B12R2.2048 OC[C@@H]1COCCN1C2CC2 34a_100000717676_100000211595 [0,0,0,2,0,0|2,0,0]=4 32146 B12R2.423 CC1CC1COCCC2CC2 34a_100000744939_100000694398 [0,0,0,2,0,0|2,0,0]=4 32147 B12R2.423 CC1CC1COCCC2CC2 7a_100000744939_100000764125 [0,0,0,2,0,0|2,0,0]=4 32148 B12R2.423 CC1CC1COCCC2CO2 34a_100000744939_100000732470 [0,0,0,2,0,0|1,0,0]=3 32149 B12R2.423 CC1CC1COCCC2CO2 7a_100000744939_100000732470 [0,0,0,2,0,0|1,0,0]=3 32150 B12R2.423 F[C@@H]1C[C@H]1NCCCC2CO2 2230a_100025746932_100000733510 [0,0,0,2,0,0|2,0,0]=4 32151 B12R2.423 F[C@@H]1C[C@H]1NCCCC2CO2 34a_100025746932_100000733510 [0,0,0,2,0,0|2,0,0]=4 32152 B12R2.423 F[C@H]1C[C@H]1NCCCC2CO2 2230a_100015190264_100000733510 [0,0,0,2,0,0|2,0,0]=4 32153 B12R2.444 CC1CC1COCC2CCC2 34a_100000744939_100000763275 [0,0,0,2,0,0|2,0,0]=4 32154 B12R2.444 CC1CC1COCC2CCC2 7a_100000744939_100000763275 [0,0,0,2,0,0|2,0,0]=4 32155 B12R2.444 CC1CC1COCC2CCO2 34a_100000744939_100000103362 [0,0,0,2,0,0|1,0,0]=3 32156 B12R2.444 CC1CC1COCC2CCO2 7a_100000744939_100000103362 [0,0,0,2,0,0|1,0,0]=3 32157 B12R2.1114 CC1CCCC1NC2CCC2 269862a_100000749019_100000752053 [0,0,0,2,0,0|2,0,0]=4 32158 B12R2.1114 CC1CCCC1OC2CCC2 34a_100011216460_100000749161 [0,0,0,2,0,0|2,0,0]=4 32159 B12R2.1114 CC1SCCN1CC2CCO2 2230a_200011216479_100000103362 [0,0,0,2,0,0|2,0,0]=4 32160 B12R2.1114 CC1SCCN1CC2CCO2 269982a_200011216479_100000103362 [0,0,0,2,0,0|2,0,0]=4 32161 B12R2.1114 CC1SCCN1CC2CCO2 34a_200011216479_100000103362 [0,0,0,2,0,0|2,0,0]=4 32162 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 2230a_100015189458_100000763275 [0,0,0,2,0,0|2,0,0]=4 32163 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 269982a_100015189458_100000763275 [0,0,0,2,0,0|2,0,0]=4 32164 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 34a_100015189458_100000763275 [0,0,0,2,0,0|2,0,0]=4 32165 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 2230a_100015189458_100000103362 [0,0,0,2,0,0|1,0,0]=3 32166 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 269982a_100015189458_100000103362 [0,0,0,2,0,0|1,0,0]=3 32167 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 34a_100015189458_100000103362 [0,0,0,2,0,0|1,0,0]=3 32168 B12R2.1114 C[C@H]1CCCN1CC2CCC2 2230a_100020605311_100000763275 [0,0,0,2,0,0|2,0,0]=4 32169 B12R2.1114 C[C@H]1CCCN1CC2CCC2 269982a_100020605311_100000763275 [0,0,0,2,0,0|2,0,0]=4 32170 B12R2.1114 C[C@H]1CCCN1CC2CCO2 2230a_100020605311_100000103362 [0,0,0,2,0,0|1,0,0]=3 32171 B12R2.1114 C[C@H]1CCCN1CC2CCO2 269982a_100020605311_100000103362 [0,0,0,2,0,0|1,0,0]=3 32172 B12R2.1114 Cl[C@@H]1CCC[C@H]1OC2CCC2 34a_200016002552_100000749161 [0,0,0,2,0,0|2,0,0]=4 32173 B12R2.1114 N[C@H]1CCC[C@@H]1OC2CCC2 34a_100000748460_100000749161 [0,0,0,2,0,0|2,0,0]=4 32174 B12R2.1114 OC1COCC1NC2CCC2 34a_100000749019_200000725654 [0,0,0,2,0,0|2,0,0]=4 32175 B12R2.1114 OC1COCC1OC2CCC2 34a_100000748187_200000725654 [0,0,0,2,0,0|2,0,0]=4 32176 B12R2.1114 OC1COCC1SC2CCC2 62a_200000725654_100000749161 [0,0,0,2,0,0|2,0,0]=4 32177 B12R2.1114 O[C@@H]1CCC[C@H]1SC2CCC2 62a_200016002552_100000749161 [0,0,0,2,0,0|1,0,0]=3 32178 B12R2.1114 O[C@@H]1CCC[C@H]1SC2COC2 62a_200016002552_100009818527 [0,0,0,2,0,0|2,0,0]=4 32179 B12R2.1114 O[C@H]1CCC[C@@H]1NC2CCC2 270004a_100000748460_100000241760 [0,0,0,2,0,0|1,0,0]=3 32180 B12R2.1114 O[C@H]1COC[C@@H]1NC2CCC2 270004a_100015191717_100000241760 [0,0,0,2,0,0|2,0,0]=4 32181 B12R2.1517 OCCCN1CCC12COC2 2230a_100015204706_100000230001 [0,0,0,2,0,0|2,0,0]=4 32182 B12R2.1517 OCCCN1CCC12COC2 269982a_100015204706_100011215043 [0,0,0,2,0,0|2,0,0]=4 32183 B12R2.2381 C(CC1CC1)NCC2CCO2 34a_100000764129_100000103362 [0,0,0,2,0,0|1,0,0]=3 32184 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 2230a_100020831831_100000694398 [0,0,0,2,0,0|1,0,0]=3 32185 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 34a_100020831831_100000694398 [0,0,0,2,0,0|1,0,0]=3 32186 B12R2.2381 C(CC1CC1)OCC2CCO2 34a_100000039022_100000694398 [0,0,0,2,0,0|1,0,0]=3 32187 B12R2.2381 C(CC1CC1)OCC2CCO2 34a_100000754188_100000103362 [0,0,0,2,0,0|1,0,0]=3 32188 B12R2.2381 C(CC1CC1)OCC2CCO2 7a_100000754188_100000103362 [0,0,0,2,0,0|1,0,0]=3 32189 B12R2.2381 C(CC1CO1)NCC2COC2 2230a_100015281925_100000732470 [0,0,0,2,0,0|2,0,0]=4 32190 B12R2.2381 C(CC1CO1)NCC2COC2 34a_100015281925_100000732470 [0,0,0,2,0,0|2,0,0]=4 32191 B12R2.2381 C(CC1CO1)NC[C@@H]2CCO2 2230a_100020831831_100000732470 [0,0,0,2,0,0|2,0,0]=4 32192 B12R2.2381 C(CC1CO1)NC[C@@H]2CCO2 34a_100020831831_100000732470 [0,0,0,2,0,0|2,0,0]=4 32193 B12R2.2381 C(CC1CO1)OCC2CCO2 34a_100000039022_100000732470 [0,0,0,2,0,0|2,0,0]=4 32194 B12R2.2381 C(CC1CO1)OCC2CNC2 34a_100016987283_100000732470 [0,0,0,2,0,0|2,0,0]=4 32195 B12R2.2381 C(CC1CO1)OCC2COC2 34a_100000060846_100000732470 [0,0,0,2,0,0|2,0,0]=4 32196 B12R2.2381 C(CC1CO1)SCC2COC2 62a_100000732470_100010264016 [0,0,0,2,0,0|2,0,0]=4 32197 B12R2.2381 C(CC1CO1)SCC2COC2 62a_100010264016_100000732470 [0,0,0,2,0,0|2,0,0]=4 32198 B12R2.2381 C(CC1COC1)OCC2CO2 34a_100009855314_102125554688 [0,0,0,2,0,0|2,0,0]=4 32199 B12R2.2381 C(CNC1COC1)CC2CO2 2230a_100016991112_100000733510 [0,0,0,2,0,0|2,0,0]=4 32200 B12R2.2381 C(COC1CSC1)CC2CO2 7a_100000072292_100000733510 [0,0,0,2,0,0|2,0,0]=4 32201 B12R2.2381 C(CSC1CCC1)CC2CO2 62a_100000733510_100000749161 [0,0,0,2,0,0|1,0,0]=3 32202 B12R2.2381 C(CSC1COC1)CC2CO2 62a_100000733510_100009818527 [0,0,0,2,0,0|2,0,0]=4 32203 B12R2.2381 C(C[C@@H]1CO1)OCC2CCO2 34a_100009820653_100000103362 [0,0,0,2,0,0|2,0,0]=4 32204 B12R2.2381 C(C[C@@H]1CO1)OCC2COC2 34a_100009820653_100010264016 [0,0,0,2,0,0|2,0,0]=4 32205 B12R2.2381 C1CC(C1)CNCCC2CC2 2230a_100000738700_100000694398 [0,0,0,2,0,0|2,0,0]=4 32206 B12R2.2381 C1CC(C1)CNCCC2CC2 269862a_100000764129_100000753134 [0,0,0,2,0,0|2,0,0]=4 32207 B12R2.2381 C1CC(C1)CNCCC2CC2 34a_100000738700_100000694398 [0,0,0,2,0,0|2,0,0]=4 32208 B12R2.2381 C1CC(C1)CNCCC2CC2 34a_100000764129_100000763275 [0,0,0,2,0,0|2,0,0]=4 32209 B12R2.2381 C1CC(C1)CNCCC2CO2 2230a_100000738700_100000732470 [0,0,0,2,0,0|1,0,0]=3 32210 B12R2.2381 C1CC(C1)CNCCC2CO2 34a_100000738700_100000732470 [0,0,0,2,0,0|1,0,0]=3 32211 B12R2.2381 C1CC(C1)COCCC2CC2 34a_100000754188_100000763275 [0,0,0,2,0,0|2,0,0]=4 32212 B12R2.2381 C1CC(C1)COCCC2CC2 34a_100000760304_100000694398 [0,0,0,2,0,0|2,0,0]=4 32213 B12R2.2381 C1CC(C1)COCCC2CC2 7a_100000754188_100000763275 [0,0,0,2,0,0|2,0,0]=4 32214 B12R2.2381 C1CC(C1)COCCC2CO2 34a_100000760304_100000732470 [0,0,0,2,0,0|1,0,0]=3 32215 B12R2.2381 C1CC(C1)COCC[C@@H]2CO2 34a_100009820653_100000763275 [0,0,0,2,0,0|1,0,0]=3 32216 B12R2.2381 C1CC(C1)CSCCC2CC2 62a_100000763275_100000764125 [0,0,0,2,0,0|2,0,0]=4 32217 B12R2.2381 C1CC(C1)CSCCC2CC2 62a_100000764125_100000763275 [0,0,0,2,0,0|2,0,0]=4 32218 B12R2.2381 C1CC(C1)CSCCC2CO2 62a_100000732470_100000763275 [0,0,0,2,0,0|1,0,0]=3 32219 B12R2.2381 C1CC(C1)CSCCC2CO2 62a_100000763275_100000732470 [0,0,0,2,0,0|1,0,0]=3 32220 B12R2.2381 C1CC(C1)NCCCC2CO2 2230a_100000749019_100000733510 [0,0,0,2,0,0|1,0,0]=3 32221 B12R2.2381 C1CC(C1)NCCCC2CO2 34a_100000749019_100000733510 [0,0,0,2,0,0|1,0,0]=3 32222 B12R2.2381 C1CC(C1)OCCCC2CO2 34a_100000748187_100000733510 [0,0,0,2,0,0|1,0,0]=3 32223 B12R2.2381 C1CC(O1)CSCCC2CC2 62a_100000103362_100000764125 [0,0,0,2,0,0|1,0,0]=3 32224 B12R2.2381 C1CC(O1)CSCCC2CC2 62a_100000764125_100000103362 [0,0,0,2,0,0|1,0,0]=3 32225 B12R2.2381 C1CC(O1)CSCCC2CO2 62a_100000103362_100000732470 [0,0,0,2,0,0|2,0,0]=4 32226 B12R2.2381 C1CC(O1)CSCCC2CO2 62a_100000732470_100000103362 [0,0,0,2,0,0|2,0,0]=4 32227 B12R2.2382 C1CC(C1)CNCC2CCC2 2230a_100000738700_100000763275 [0,0,0,2,0,0|2,0,0]=4 32228 B12R2.2382 C1CC(C1)CNCC2CCC2 269862a_100000738700_100000753134 [0,0,0,2,0,0|2,0,0]=4 32229 B12R2.2382 C1CC(C1)CNCC2CCC2 34a_100000738700_100000763275 [0,0,0,2,0,0|2,0,0]=4 32230 B12R2.2382 C1CC(C1)CNCC2CCO2 2230a_100000738700_100000103362 [0,0,0,2,0,0|1,0,0]=3 32231 B12R2.2382 C1CC(C1)CNCC2CCO2 34a_100000738700_100000103362 [0,0,0,2,0,0|1,0,0]=3 32232 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 2230a_100020831831_100000763275 [0,0,0,2,0,0|1,0,0]=3 32233 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 269862a_100020831831_100000753134 [0,0,0,2,0,0|1,0,0]=3 32234 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 34a_100020831831_100000763275 [0,0,0,2,0,0|1,0,0]=3 32235 B12R2.2382 C1CC(C1)COCC2CCC2 34a_100000760304_100000763275 [0,0,0,2,0,0|2,0,0]=4 32236 B12R2.2382 C1CC(C1)COCC2CCO2 34a_100000039022_100000763275 [0,0,0,2,0,0|1,0,0]=3 32237 B12R2.2382 C1CC(C1)COCC2CCO2 34a_100000760304_100000103362 [0,0,0,2,0,0|1,0,0]=3 32238 B12R2.2382 C1CC(C1)CSCC2CCC2 62a_100000763275_100000763275 [0,0,0,2,0,0|2,0,0]=4 32239 B12R2.2382 C1CC(C1)CSCC2CCO2 62a_100000103362_100000763275 [0,0,0,2,0,0|1,0,0]=3 32240 B12R2.2382 C1CC(C1)CSCC2CCO2 62a_100000763275_100000103362 [0,0,0,2,0,0|1,0,0]=3 32241 B12R2.2382 C1CC(O1)CNCC2COC2 2230a_100015281925_100000103362 [0,0,0,2,0,0|2,0,0]=4 32242 B12R2.2382 C1CC(O1)CNCC2COC2 34a_100015281925_100000103362 [0,0,0,2,0,0|2,0,0]=4 32243 B12R2.2382 C1CC(O1)CNC[C@@H]2CCO2 2230a_100020831831_100000103362 [0,0,0,2,0,0|2,0,0]=4 32244 B12R2.2382 C1CC(O1)CNC[C@@H]2CCO2 34a_100020831831_100000103362 [0,0,0,2,0,0|2,0,0]=4 32245 B12R2.2382 C1CC(O1)COCC2CCO2 34a_100000039022_100000103362 [0,0,0,2,0,0|2,0,0]=4 32246 B12R2.2382 C1CC(O1)COCC2CNC2 34a_100016987283_100000103362 [0,0,0,2,0,0|2,0,0]=4 32247 B12R2.2382 C1CC(O1)COCC2COC2 34a_100000039022_100010264016 [0,0,0,2,0,0|2,0,0]=4 32248 B12R2.2382 C1CC(O1)COCC2COC2 34a_100000060846_100000103362 [0,0,0,2,0,0|2,0,0]=4 32249 B12R2.2382 C1CC(O1)CSCC2CCO2 62a_100000103362_100000103362 [0,0,0,2,0,0|2,0,0]=4 32250 B12R2.2382 C1CC(O1)CSCC2COC2 62a_100000103362_100010264016 [0,0,0,2,0,0|2,0,0]=4 32251 B12R2.2382 C1CC(O1)CSCC2COC2 62a_100010264016_100000103362 [0,0,0,2,0,0|2,0,0]=4 32252 B12R2.2382 C1C[C@H](O1)CNCC2COC2 2230a_100020831831_100010264016 [0,0,0,2,0,0|2,0,0]=4 32253 B12R2.2382 C1C[C@H](O1)CNCC2COC2 34a_100020831831_100010264016 [0,0,0,2,0,0|2,0,0]=4 32254 B12R2.3807 C1CCCC(CC1)N2CCC2 269982a_100000754969_100011217769 [0,0,0,2,0,0|2,0,0]=4 32255 B12R2.3807 C1CCCN(CC1)C2CCC2 269982a_100000185865_100000749161 [0,0,0,2,0,0|2,0,0]=4 32256 B12R2.3807 C1CCCN(CC1)C2CCC2 270004a_100000185865_100000241760 [0,0,0,2,0,0|2,0,0]=4 32257 B12R2.3807 C1CCCN(CC1)C2CCC2 34a_100000185865_100000749161 [0,0,0,2,0,0|2,0,0]=4 32258 B12R2.158 COCC1CCN1CC2CO2 2230a_100015195929_100011216344 [0,0,0,2,0,0|2,0,0]=4 32259 B12R2.158 COCC1CCN1CC2CO2 269982a_100015195929_102125554688 [0,0,0,2,0,0|2,0,0]=4 32260 B12R2.158 COCC1CCN1CC2CO2 34a_100015195929_102125554688 [0,0,0,2,0,0|2,0,0]=4 32261 B12R2.158 COCC1CCN1C[C@@H]2CO2 269982a_100015195929_100000745022 [0,0,0,2,0,0|2,0,0]=4 32262 B12R2.466 CC1CCCC1OCC2CC2 34a_100011216460_100000742324 [0,0,0,2,0,0|2,0,0]=4 32263 B12R2.466 CC1CCCC1OCC2CC2 7a_100011216460_100000742324 [0,0,0,2,0,0|2,0,0]=4 32264 B12R2.466 CC1CCCC1OCC2CO2 34a_100011216460_102125554688 [0,0,0,2,0,0|1,0,0]=3 32265 B12R2.466 CC1CCCC1OCC2CO2 7a_100011216460_102125554688 [0,0,0,2,0,0|1,0,0]=3 32266 B12R2.466 CC1CCCC1OCC2CS2 7a_100011216460_100000031435 [0,0,0,2,0,0|1,1,0]=4 32267 B12R2.466 CC1CCCC1OC[C@@H]2CO2 7a_100011216460_100000745022 [0,0,0,2,0,0|1,0,0]=3 32268 B12R2.466 CC1SCCN1CCC2CO2 2230a_200011216479_100000732470 [0,0,0,2,0,0|2,0,0]=4 32269 B12R2.466 CC1SCCN1CCC2CO2 269982a_200011216479_100000732470 [0,0,0,2,0,0|2,0,0]=4 32270 B12R2.466 CC1SCCN1CCC2CO2 34a_200011216479_100000732470 [0,0,0,2,0,0|2,0,0]=4 32271 B12R2.466 C[C@@H]1CCCN1CCC2CC2 2230a_100015189458_100000694398 [0,0,0,2,0,0|2,0,0]=4 32272 B12R2.466 C[C@@H]1CCCN1CCC2CC2 269982a_100015189458_100000694398 [0,0,0,2,0,0|2,0,0]=4 32273 B12R2.466 C[C@@H]1CCCN1CCC2CC2 34a_100015189458_100000694398 [0,0,0,2,0,0|2,0,0]=4 32274 B12R2.466 C[C@@H]1CCCN1CCC2CO2 2230a_100015189458_100000732470 [0,0,0,2,0,0|1,0,0]=3 32275 B12R2.466 C[C@@H]1CCCN1CCC2CO2 269982a_100015189458_100000732470 [0,0,0,2,0,0|1,0,0]=3 32276 B12R2.466 C[C@@H]1CCCN1CCC2CO2 34a_100015189458_100000732470 [0,0,0,2,0,0|1,0,0]=3 32277 B12R2.466 C[C@@H]1CNC[C@@H]1OCC2CO2 34a_200015306588_102125554688 [0,0,0,2,0,0|2,0,0]=4 32278 B12R2.466 C[C@H]1CCCN1CCC2CC2 2230a_100020605311_100000694398 [0,0,0,2,0,0|2,0,0]=4 32279 B12R2.466 C[C@H]1CCCN1CCC2CC2 269982a_100020605311_100000694398 [0,0,0,2,0,0|2,0,0]=4 32280 B12R2.466 C[C@H]1CCCN1CCC2CO2 2230a_100020605311_100000732470 [0,0,0,2,0,0|1,0,0]=3 32281 B12R2.466 C[C@H]1CCCN1CCC2CO2 269982a_100020605311_100000732470 [0,0,0,2,0,0|1,0,0]=3 32282 B12R2.466 Cl[C@@H]1CCC[C@H]1OCC2CC2 34a_200016002552_100000742324 [0,0,0,2,0,0|2,0,0]=4 32283 B12R2.466 Cl[C@@H]1CCC[C@H]1OCC2CO2 34a_200016002552_102125554688 [0,0,0,2,0,0|2,0,0]=4 32284 B12R2.466 N[C@H]1CCC[C@@H]1OCC2CC2 34a_100000748460_100000742324 [0,0,0,2,0,0|2,0,0]=4 32285 B12R2.466 N[C@H]1CCC[C@@H]1OCC2CO2 34a_100000748460_102125554688 [0,0,0,2,0,0|2,0,0]=4 32286 B12R2.466 OC1COCC1NCC2CC2 34a_100000735609_200000725654 [0,0,0,2,0,0|2,0,0]=4 32287 B12R2.466 OC1COCC1OCC2CC2 34a_100000211283_200000725654 [0,0,0,2,0,0|2,0,0]=4 32288 B12R2.466 OC1COCC1SCC2CC2 62a_100000756562_200000725654 [0,0,0,2,0,0|2,0,0]=4 32289 B12R2.466 OC1COCC1SCC2CC2 62a_200000725654_100000742324 [0,0,0,2,0,0|2,0,0]=4 32290 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CC2 62a_100000756562_200016002552 [0,0,0,2,0,0|1,0,0]=3 32291 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CC2 62a_200016002552_100000742324 [0,0,0,2,0,0|1,0,0]=3 32292 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CO2 62a_102125554688_200016002552 [0,0,0,2,0,0|2,0,0]=4 32293 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CO2 62a_200016002552_102125554688 [0,0,0,2,0,0|2,0,0]=4 32294 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CS2 62a_100000031435_200016002552 [0,0,0,2,0,0|2,0,0]=4 32295 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CS2 62a_200016002552_100000031435 [0,0,0,2,0,0|2,0,0]=4 32296 B12R2.466 O[C@@H]1CCC[C@H]1SC[C@@H]2CO2 62a_100000745022_200016002552 [0,0,0,2,0,0|2,0,0]=4 32297 B12R2.466 O[C@@H]1CCC[C@H]1SC[C@@H]2CO2 62a_200016002552_100000745022 [0,0,0,2,0,0|2,0,0]=4 32298 B12R2.466 O[C@H]1CCC[C@@H]1NCC2CC2 269862a_100000748460_100000741477 [0,0,0,2,0,0|1,0,0]=3 32299 B12R2.466 O[C@H]1COC[C@@H]1NCC2CC2 2230a_100015191717_100000742324 [0,0,0,2,0,0|2,0,0]=4 32300 B12R2.466 O[C@H]1COC[C@@H]1NCC2CC2 269862a_100015191717_100000741477 [0,0,0,2,0,0|2,0,0]=4 32301 B12R2.1298 CC1CCN1CCCC2CO2 269982a_100000755817_100000733510 [0,0,0,2,0,0|1,0,0]=3 32302 B12R2.1298 CC1CCN1CCCC2CO2 34a_100000755817_100000733510 [0,0,0,2,0,0|1,0,0]=3 32303 B12R2.2014 C(CC1CC1)NCCC2CC2 34a_100000764129_100000694398 [0,0,0,2,0,0|2,0,0]=4 32304 B12R2.2014 C(CC1CC1)NCCC2CO2 34a_100000764129_100000732470 [0,0,0,2,0,0|1,0,0]=3 32305 B12R2.2014 C(CC1CC1)OCCC2CC2 34a_100000754188_100000694398 [0,0,0,2,0,0|2,0,0]=4 32306 B12R2.2014 C(CC1CC1)OCCC2CC2 7a_100000754188_100000764125 [0,0,0,2,0,0|2,0,0]=4 32307 B12R2.2014 C(CC1CC1)OCCC2CO2 34a_100000754188_100000732470 [0,0,0,2,0,0|1,0,0]=3 32308 B12R2.2014 C(CC1CC1)OCCC2CO2 7a_100000754188_100000732470 [0,0,0,2,0,0|1,0,0]=3 32309 B12R2.2014 C(CC1CC1)OCC[C@@H]2CO2 34a_100009820653_100000694398 [0,0,0,2,0,0|1,0,0]=3 32310 B12R2.2014 C(CC1CC1)SCCC2CC2 62a_100000764125_100000764125 [0,0,0,2,0,0|2,0,0]=4 32311 B12R2.2014 C(CC1CC1)SCCC2CO2 62a_100000732470_100000764125 [0,0,0,2,0,0|1,0,0]=3 32312 B12R2.2014 C(CC1CC1)SCCC2CO2 62a_100000764125_100000732470 [0,0,0,2,0,0|1,0,0]=3 32313 B12R2.2014 C(CC1CO1)OCC[C@@H]2CO2 34a_100009820653_100000732470 [0,0,0,2,0,0|2,0,0]=4 32314 B12R2.2014 C(CC1CO1)SCCC2CO2 62a_100000732470_100000732470 [0,0,0,2,0,0|2,0,0]=4 32315 B12R2.2014 C(CNCC1CC1)CC2CO2 2230a_100000735609_100000733510 [0,0,0,2,0,0|1,0,0]=3 32316 B12R2.2014 C(CNCC1CC1)CC2CO2 34a_100000735609_100000733510 [0,0,0,2,0,0|1,0,0]=3 32317 B12R2.2014 C(COCC1CC1)CC2CO2 34a_100000211283_100000733510 [0,0,0,2,0,0|1,0,0]=3 32318 B12R2.2014 C(COCC1CO1)NC2CC2 34a_100000738766_102125554688 [0,0,0,2,0,0|2,0,0]=4 32319 B12R2.2014 C(COC[C@@H]1CO1)CC2CO2 34a_100000757423_100000733510 [0,0,0,2,0,0|2,0,0]=4 32320 B12R2.2014 C(CSCC1CC1)CC2CO2 62a_100000733510_100000742324 [0,0,0,2,0,0|1,0,0]=3 32321 B12R2.2014 C(CSCC1CC1)CC2CO2 62a_100000756562_100000733510 [0,0,0,2,0,0|1,0,0]=3 32322 B12R2.2014 C(CSCC1CO1)CC2CO2 62a_100000733510_102125554688 [0,0,0,2,0,0|2,0,0]=4 32323 B12R2.2014 C(CSCC1CO1)CC2CO2 62a_102125554688_100000733510 [0,0,0,2,0,0|2,0,0]=4 32324 B12R2.2014 C(CSCC1CS1)CC2CO2 62a_100000031435_100000733510 [0,0,0,2,0,0|2,0,0]=4 32325 B12R2.2014 C(CSCC1CS1)CC2CO2 62a_100000733510_100000031435 [0,0,0,2,0,0|2,0,0]=4 32326 B12R2.2014 C(CSC[C@@H]1CO1)CC2CO2 62a_100000733510_100000745022 [0,0,0,2,0,0|2,0,0]=4 32327 B12R2.2014 C(CSC[C@@H]1CO1)CC2CO2 62a_100000745022_100000733510 [0,0,0,2,0,0|2,0,0]=4 32328 B12R2.2018 C1CCCN(CCC1)C2CC2 269982a_100000211400_100000211595 [0,0,0,2,0,0|2,0,0]=4 32329 B12R2.2018 C1CCCN(CCC1)C2CC2 34a_100000211400_100000211595 [0,0,0,2,0,0|2,0,0]=4 32330 B12R2.2274 CCCN1CCCC1C2CC2 2230a_200000757794_100000210303 [0,0,0,2,0,0|2,0,0]=4 32331 B12R2.2274 CCCN1CCCC1C2CC2 269982a_200000757794_100000210303 [0,0,0,2,0,0|2,0,0]=4 32332 B12R2.2274 CCCN1CCCC1C2CC2 34a_200000757794_100000210303 [0,0,0,2,0,0|2,0,0]=4 32333 B12R2.2274 FCCN1CCCC1C2CC2 2230a_200000757794_100011217306 [0,0,0,2,0,0|2,0,0]=4 32334 B12R2.2274 FCCN1CCCC1C2CC2 269982a_200000757794_100011217306 [0,0,0,2,0,0|2,0,0]=4 32335 B12R2.2274 FCCN1CCCC1C2CC2 34a_200000757794_100011217306 [0,0,0,2,0,0|2,0,0]=4 32336 B12R2.2274 OCCN1CCCC1C2CC2 2230a_200000757794_100000211926 [0,0,0,2,0,0|1,0,0]=3 32337 B12R2.2274 OCCN1CCCC1C2CC2 269982a_200000757794_100000211926 [0,0,0,2,0,0|1,0,0]=3 32338 B12R2.2274 OCCN1CCCC1C2CC2 34a_200000757794_100000211926 [0,0,0,2,0,0|1,0,0]=3 32339 B12R2.3808 C1CCCC(CC1)NC2CC2 34a_100000210984_100000211595 [0,0,0,2,0,0|2,0,0]=4 32340 B12R2.3808 C1CCCC(CC1)NC2CC2 34a_100000212008_100011217769 [0,0,0,2,0,0|2,0,0]=4 32341 B12R2.3808 C1CCCC(CC1)OC2CC2 34a_100000210887_100000211595 [0,0,0,2,0,0|2,0,0]=4 32342 B12R2.3808 C1CCCC(CC1)SC2CC2 62a_100011217769_100000211595 [0,0,0,2,0,0|2,0,0]=4 32343 B12R2.3808 C1CCCN(CC1)CC2CC2 2230a_100000185865_100000742324 [0,0,0,2,0,0|2,0,0]=4 32344 B12R2.3808 C1CCCN(CC1)CC2CC2 269982a_100000185865_100000756562 [0,0,0,2,0,0|2,0,0]=4 32345 B12R2.3808 C1CCCN(CC1)CC2CC2 34a_100000185865_100000742324 [0,0,0,2,0,0|2,0,0]=4 32346 B12R2.3808 C1CCCN(CC1)CC2CO2 2230a_100000185865_100011216344 [0,0,0,2,0,0|1,0,0]=3 32347 B12R2.3808 C1CCCN(CC1)CC2CO2 269982a_100000185865_102125554688 [0,0,0,2,0,0|1,0,0]=3 32348 B12R2.3808 C1CCCN(CC1)CC2CO2 34a_100000185865_102125554688 [0,0,0,2,0,0|1,0,0]=3 32349 B12R2.3808 C1CCCN(CC1)CC2CS2 269982a_100000185865_100000031435 [0,0,0,2,0,0|1,1,0]=4 32350 B12R2.3808 C1CCCN(CC1)C[C@@H]2CO2 269982a_100000185865_100000745022 [0,0,0,2,0,0|1,0,0]=3 32351 B12R2.3808 C1COCCN(C1)CC2CO2 2230a_100000685342_100011216344 [0,0,0,2,0,0|2,0,0]=4 32352 B12R2.3808 C1COCCN(C1)CC2CO2 269982a_100000685342_102125554688 [0,0,0,2,0,0|2,0,0]=4 32353 B12R2.3808 C1COCCN(C1)CC2CO2 34a_100000685342_102125554688 [0,0,0,2,0,0|2,0,0]=4 32354 B12R2.3808 C1COCCN(C1)C[C@@H]2CO2 269982a_100000685342_100000745022 [0,0,0,2,0,0|2,0,0]=4 32355 B12R2.191 CN1C[C@@H]2C[C@H]1CN2CCO 2230a_100025763010_100000211926 [0,0,0,2,0,0|2,0,0]=4 32356 B12R2.191 CN1C[C@@H]2C[C@H]1CN2CCO 269982a_100025763010_100000211926 [0,0,0,2,0,0|2,0,0]=4 32357 B12R2.4960 CNCC12CCCC1CCC2 2230a_100159271432_200000210301 [0,0,0,2,0,0|2,0,0]=4 32358 B12R2.4960 CNCC12CCCC1CCC2 34a_100159271432_200000210301 [0,0,0,2,0,0|2,0,0]=4 32359 B12R2.4960 [13CH3]NCC12CCCC1CCC2 2230a_100159271432_200025704644 [0,0,0,2,0,0|2,0,0]=4 32360 B12R2.4960 [13CH3]NCC12CCCC1CCC2 34a_100159271432_200025704644 [0,0,0,2,0,0|2,0,0]=4 32361 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210303 [0,0,0,2,0,0|2,0,0]=4 32362 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000210303 [0,0,0,2,0,0|2,0,0]=4 32363 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210303 [0,0,0,2,0,0|2,0,0]=4 32364 B12R2.39 FCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100011217306 [0,0,0,2,0,0|2,0,0]=4 32365 B12R2.39 FCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011217306 [0,0,0,2,0,0|2,0,0]=4 32366 B12R2.39 FCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100011217306 [0,0,0,2,0,0|2,0,0]=4 32367 B12R2.39 OCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000211926 [0,0,0,2,0,0|1,0,0]=3 32368 B12R2.39 OCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000211926 [0,0,0,2,0,0|1,0,0]=3 32369 B12R2.39 OCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000211926 [0,0,0,2,0,0|1,0,0]=3 32370 B12R2.39 OCCN1C[C@H]2COC[C@H]2C1 2230a_100000700037_100000211926 [0,0,0,2,0,0|2,0,0]=4 32371 B12R2.39 OCCN1C[C@H]2COC[C@H]2C1 269982a_100000700037_100000211926 [0,0,0,2,0,0|2,0,0]=4 32372 B12R2.39 OCCN1C[C@H]2COC[C@H]2C1 34a_100000700037_100000211926 [0,0,0,2,0,0|2,0,0]=4 32373 B12R2.110 CC1CCN1C2COCC2O 34a_100000755817_200000725654 [0,0,0,2,0,0|2,0,0]=4 32374 B12R2.110 CC1CCN1[C@@H]2CCC[C@H]2O 269982a_100000755817_200016002552 [0,0,0,2,0,0|1,0,0]=3