0 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.45 C#CCCCCCOCF 34a_100000766912_100015361967 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.45 C#CCCCCCOCF 7a_100000766912_100015361967 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.45 C#CCCCCCSCF 62a_100012094781_100015361967 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.45 C#CCCCCCSCF 62a_100015361967_100012094781 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.45 C#CCCCCNCC=C 2230a_100000706060_100000210623 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.45 C#CCCCCNCC=C 2230a_100020586998_100010269958 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.45 C#CCCCCNCC=C 34a_100000706060_100015514636 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.45 C#CCCCCNCCF 2230a_100000706060_100011217306 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.45 C#CCCCCNCCF 34a_100000706060_100011217306 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.45 C#CCCCCNCCF 34a_100000724931_100010269958 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.45 C#CCCCCNCOC 2230a_100000706060_100000766300 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.45 C#CCCCCNCSC 2230a_100000706060_100011218213 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.45 C#CCCCCNCSC 34a_100000706060_100011218213 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [0,0,0,0,0,0|1,0,2]=3 44 B9R0.45 C#CCCCCOCCBr 34a_100000211926_100010269958 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|2,0,1]=3 47 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.45 C#CCCCCOCCF 34a_100000766709_100011217306 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.45 C#CCCCCOCCF 7a_100000766709_100011217306 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.45 C#CCCCCOCCN 34a_100000210304_100010269958 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.45 C#CCCCCOCSC 34a_100000766709_100011218213 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.45 C#CCCCCSCC=C 62a_100000210623_100010269958 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 C#CCCCCSCC=C 62a_100010269958_100000210623 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [0,0,0,0,0,0|1,0,2]=3 57 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [0,0,0,0,0,0|1,0,2]=3 58 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,0,0,0,0,0|2,0,1]=3 60 B9R0.45 C#CCCCCSCCF 62a_100010269958_100011217306 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.45 C#CCCCCSCCF 62a_100011217306_100010269958 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.45 C#CCCCCSCOC 62a_100000766300_100010269958 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.45 C#CCCCCSCOC 62a_100010269958_100000766300 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.45 C#CCCCNCCC=C 2230a_100015191253_100000731252 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.45 C#CCCCNCCC=C 34a_100000718082_100000754431 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.45 C#CCCCNCCCF 2230a_100015189416_100000731252 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.45 C#CCCCNCCCF 34a_100000718082_100011934791 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.45 C#CCCCNCCCF 34a_100015189416_100000695029 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.45 C#CCCCNCCOC 2230a_100000209980_100000731252 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.45 C#CCCCNCCOC 34a_100000718082_100011201679 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.45 C#CCCCOCCC=C 34a_100000215630_100000754431 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.45 C#CCCCOCCC=C 34a_100011205117_100000695029 [0,0,0,0,0,0|2,0,2]=4 83 B9R0.45 C#CCCCOCCC=C 7a_100000215630_100000754431 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.45 C#CCCCOCCCBr 34a_100011217188_100000695029 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,0,0,0,0,0|2,0,1]=3 87 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,0,0,0,0,0|2,0,1]=3 88 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.45 C#CCCCOCCCCl 34a_100000230001_100000695029 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.45 C#CCCCOCCCF 34a_100000215630_100011934791 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.45 C#CCCCOCCCF 34a_100000759539_100000695029 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.45 C#CCCCOCCCF 7a_100000215630_100011934791 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.45 C#CCCCOCCCN 34a_100000182051_100000695029 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.45 C#CCCCSCCC=C 62a_100000754431_100011215417 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.45 C#CCCCSCCC=C 62a_100011215417_100000754431 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,0,0,0,0,0|2,0,1]=3 106 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.45 C#CCCCSCCCF 62a_100011215417_100011934791 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.45 C#CCCCSCCCF 62a_100011934791_100011215417 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.45 C#CCCCSCOCC 62a_100000739092_100011215417 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.45 C#CCCCSCOCC 62a_100011215417_100000739092 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.45 C#CCCNCCCC=C 2230a_100000700776_100000688953 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.45 C#CCCNCCCC=C 34a_100000700776_100000688953 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.45 C#CCCNCCCC=C 34a_100000755551_100000757094 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,0,0,0,0,0|2,0,1]=3 121 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,0,0,0,0,0|2,0,1]=3 122 B9R0.45 C#CCCNCCCCF 34a_100000755551_100000729493 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.45 C#CCCNCCCOC 34a_100000755551_100000740836 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.45 C#CCCNCCCOC 34a_100150723488_100000688953 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.45 C#CCCNCCOCC 2230a_102516460346_100000688953 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.45 C#CCCNCCOCC 34a_100000755551_100000210147 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.45 C#CCCNCCOCC 34a_102516460346_100000688953 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.45 C#CCCNCCSCC 2230a_100000106463_100000688953 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.45 C#CCCNCCSCC 34a_100000755551_100000757381 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.45 C#CCCOCCCC=C 34a_100000758997_100000688953 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.45 C#CCCOCCCC=C 34a_100011215631_100000757094 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.45 C#CCCOCCCC=C 7a_100000758997_100000688953 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.45 C#CCCOCCCCBr 34a_100011216708_100000688953 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,0,0,0,0,0|2,0,1]=3 139 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,0,0,0,0,0|2,0,1]=3 140 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,0,0,0,0,0|2,0,1]=3 141 B9R0.45 C#CCCOCCCCCl 34a_100000210776_100000688953 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.45 C#CCCOCCCCCl 7a_100000210776_100000688953 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.45 C#CCCOCCCCF 34a_100011215631_100000729493 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.45 C#CCCOCCCCF 34a_100011995726_100000688953 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.45 C#CCCOCCCCF 7a_100011995726_100000688953 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.45 C#CCCOCCCCI 34a_200012148704_100000688953 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [0,0,0,0,0,0|3,0,1]=4 148 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.45 C#CCCOCCCNC 34a_100000213112_100000688953 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.45 C#CCCOCCSCC 34a_100000212035_100000688953 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.45 C#CCCOCCSCC 34a_100011215631_100000757381 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.45 C#CCCOCCSCC 7a_100000212035_100000688953 [0,0,0,0,0,0|3,0,1]=4 160 B9R0.45 C#CCCSCCCC=C 62a_100000688953_100000757094 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.45 C#CCCSCCCC=C 62a_100011713584_100000688953 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [0,0,0,0,0,0|1,0,2]=3 163 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [0,0,0,0,0,0|1,0,2]=3 164 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,0,0,0,0,0|2,0,1]=3 165 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,0,0,0,0,0|2,0,1]=3 166 B9R0.45 C#CCCSCCCCF 62a_100000688953_100000729493 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.45 C#CCCSCCCCF 62a_100000729493_100000688953 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,0,0,0,0,0|3,0,1]=4 169 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,0,0,0,0,0|3,0,1]=4 171 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,0,0,0,0,0|3,0,1]=4 173 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.45 C#CCCSCCSCC 62a_100000688953_100000757381 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.45 C#CCCSCCSCC 62a_100000757381_100000688953 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.45 C#CCNCCCCC=C 2230a_100000703577_100000038162 [0,0,0,0,0,0|2,0,2]=4 177 B9R0.45 C#CCNCCCCC=C 34a_100000212058_100011215482 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.45 C#CCNCCCCC=C 34a_100000703577_100000184674 [0,0,0,0,0,0|2,0,2]=4 179 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,0,0,0,0,0|2,0,1]=3 180 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,0,0,0,0,0|2,0,1]=3 181 B9R0.45 C#CCNCCCCCF 34a_100000212058_100000729378 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.45 C#CCNCCCCOC 34a_100000212058_100000755781 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.45 C#CCNCCCOCC 2230a_100000210961_100000038162 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.45 C#CCNCCCOCC 34a_100000210961_100000184674 [0,0,0,0,0,0|3,0,1]=4 188 B9R0.45 C#CCNCCCOCC 34a_100000212058_100012232248 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.45 C#CCNCCOCCC 2230a_100161115042_100000038162 [0,0,0,0,0,0|3,0,1]=4 190 B9R0.45 C#CCNCCOCCC 34a_100000212058_100011215938 [0,0,0,0,0,0|3,0,1]=4 191 B9R0.45 C#CCNCCOCCC 34a_100161115042_100000184674 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.45 C#CCNCCSCCC 2230a_100020603323_100000038162 [0,0,0,0,0,0|3,0,1]=4 193 B9R0.45 C#CCNCOCCCC 34a_100000212058_100011995733 [0,0,0,0,0,0|3,0,1]=4 194 B9R0.45 C#CCOCCCCC=C 34a_100000210247_100011215482 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.45 C#CCOCCCCC=C 34a_100000766645_100000184674 [0,0,0,0,0,0|2,0,2]=4 196 B9R0.45 C#CCOCCCCC=C 7a_100000766645_100000038162 [0,0,0,0,0,0|2,0,2]=4 197 B9R0.45 C#CCOCCCCCBr 34a_100000746331_100000184674 [0,0,0,0,0,0|3,0,1]=4 198 B9R0.45 C#CCOCCCCCBr 7a_100000746331_100000038162 [0,0,0,0,0,0|3,0,1]=4 199 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,0,0,0,0,0|2,0,1]=3 200 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,0,0,0,0,0|2,0,1]=3 201 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,0,0,0,0,0|2,0,1]=3 202 B9R0.45 C#CCOCCCCCCl 34a_100000746330_100000184674 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.45 C#CCOCCCCCCl 7a_100000746330_100000038162 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.45 C#CCOCCCCCF 34a_100000210247_100000729378 [0,0,0,0,0,0|3,0,1]=4 205 B9R0.45 C#CCOCCCCCI 34a_200012148887_100000184674 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.45 C#CCOCCCCCI 7a_200012148887_100000038162 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [0,0,0,0,0,0|3,0,1]=4 208 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,0,0,0,0,0|3,0,1]=4 209 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [0,0,0,0,0,0|3,0,1]=4 211 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [0,0,0,0,0,0|3,0,1]=4 212 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [0,0,0,0,0,0|3,0,1]=4 213 B9R0.45 C#CCOCCCOCC 34a_100000210247_100012232248 [0,0,0,0,0,0|3,0,1]=4 214 B9R0.45 C#CCOCCCOCC 34a_100000757476_100000184674 [0,0,0,0,0,0|3,0,1]=4 215 B9R0.45 C#CCOCCCOCC 7a_100000757476_100000038162 [0,0,0,0,0,0|3,0,1]=4 216 B9R0.45 C#CCOCCCSCC 34a_100011216438_100000184674 [0,0,0,0,0,0|3,0,1]=4 217 B9R0.45 C#CCOCCCSCC 7a_100011216438_100000038162 [0,0,0,0,0,0|3,0,1]=4 218 B9R0.45 C#CCOCCNCC=O 2230a_100000700922_200015260668 [0,0,0,0,0,0|2,0,2]=4 219 B9R0.45 C#CCOCCNCC=O 34a_100000700922_200009817547 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.45 C#CCOCCNCCC 2230a_100000700922_100000210303 [0,0,0,0,0,0|3,0,1]=4 221 B9R0.45 C#CCOCCNCCC 34a_100000700922_100000210303 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.45 C#CCOCCOCC=O 34a_100000054580_200009817547 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.45 C#CCOCCOCC=O 7a_100000054580_200015260668 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [0,0,0,0,0,0|3,0,1]=4 225 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [0,0,0,0,0,0|3,0,1]=4 226 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [0,0,0,0,0,0|3,0,1]=4 227 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [0,0,0,0,0,0|3,0,1]=4 228 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [0,0,0,0,0,0|3,0,1]=4 229 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [0,0,0,0,0,0|3,0,1]=4 230 B9R0.45 C#CCOCCSCC=O 62a_100010402529_200015260668 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.45 C#CCOCCSCC=O 62a_200015260668_100010402529 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,0,0,0,0,0|3,0,1]=4 233 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,0,0,0,0,0|3,0,1]=4 234 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,0,0,0,0,0|3,0,1]=4 235 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,0,0,0,0,0|3,0,1]=4 236 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,0,0,0,0,0|3,0,1]=4 237 B9R0.45 C#CCSCCCCC=C 62a_100000038162_100011215482 [0,0,0,0,0,0|2,0,2]=4 238 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [0,0,0,0,0,0|1,0,2]=3 239 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,0,0,0,0,0|2,0,1]=3 240 B9R0.45 C#CCSCCCCCF 62a_100000038162_100000729378 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [0,0,0,0,0,0|3,0,1]=4 242 B9R0.45 C#CCSCCCCOC 62a_100000038162_100000730899 [0,0,0,0,0,0|3,0,1]=4 243 B9R0.45 C#CCSCCCOCC 62a_100000038162_100012232248 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.45 C#CCSCCOCCC 62a_100000038162_100011215938 [0,0,0,0,0,0|3,0,1]=4 245 B9R0.45 C#CCSCOCCCC 62a_100000038162_100011995733 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,0,0,0,0,0|2,0,1]=3 247 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,0,0,0,0,0|3,0,1]=4 252 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,0,0,0,0,0|3,0,1]=4 253 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,0,0,0,0,0|3,0,1]=4 254 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,0,0,0,0,0|3,0,1]=4 255 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,0,0,0,0,0|2,0,1]=3 257 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,0,0,0,0,0|2,0,1]=3 258 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,0,0,0,0,0|3,0,1]=4 260 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,0,0,0,0,0|3,0,1]=4 263 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,0,0,0,0,0|3,0,1]=4 264 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,0,0,0,0,0|3,0,1]=4 265 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,0,0,0,0,0|3,0,1]=4 266 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,0,0,0,0,0|3,0,1]=4 267 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,0,0,0,0,0|3,0,1]=4 268 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,0,0,0,0,0|3,0,1]=4 270 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,0,0,0,0,0|3,0,1]=4 271 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,0,0,0,0,0|3,0,1]=4 272 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,0,0,0,0,0|3,0,1]=4 273 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,0,0,0,0,0|3,0,1]=4 274 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,0,0,0,0,0|3,0,1]=4 275 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,0,0,0,0,0|3,0,1]=4 276 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,0,0,0,0,0|3,0,1]=4 277 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,0,0,0,0,0|1,0,2]=3 278 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,0,0,0,0,0|1,0,2]=3 279 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,0,0,0,0,0|2,0,1]=3 280 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,0,0,0,0,0|2,0,1]=3 281 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,0,0,0,0,0|3,0,1]=4 284 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,0,0,0,0,0|3,0,1]=4 285 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,0,0,0,0,0|3,0,1]=4 286 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,0,0,0,0,0|3,0,1]=4 287 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,0,0,0,0,0|3,0,1]=4 288 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,0,0,0,0,0|3,0,1]=4 289 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,0,0,0,0,0|3,0,1]=4 290 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,0,0,0,0,0|3,0,1]=4 291 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [0,0,0,0,0,0|2,0,2]=4 292 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [0,0,0,0,0,0|2,0,2]=4 293 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [0,0,0,0,0,0|2,0,2]=4 295 B9R0.45 C=CCCC=NNCCC 4a_100000740057_100011216789 [0,0,0,0,0,0|3,0,1]=4 296 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,0,0,0,0,0|2,0,0]=2 297 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,0,0,0,0,0|2,0,0]=2 298 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,0,0,0,0,0|2,0,0]=2 299 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,0,0,0,0,0|2,0,0]=2 300 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,0,0,0,0,0|2,0,0]=2 301 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,0,0,0,0,0|2,0,0]=2 302 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,0,0,0,0,0|2,0,0]=2 303 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,0,0,0,0,0|2,0,0]=2 304 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,0,0,0,0,0|2,0,0]=2 305 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,0,0,0,0,0|2,0,0]=2 306 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,0,0,0,0,0|2,0,0]=2 307 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,0,0,0,0,0|2,0,0]=2 308 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,0,0,0,0,0|2,0,0]=2 309 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,0,0,0,0,0|2,0,0]=2 310 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,0,0,0,0,0|2,0,0]=2 311 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,0,0,0,0,0|2,0,0]=2 312 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,0,0,0,0,0|3,0,0]=3 313 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,0,0,0,0,0|3,0,0]=3 314 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,0,0,0,0,0|2,0,0]=2 315 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,0,0,0,0,0|2,0,0]=2 316 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,0,0,0,0,0|3,0,0]=3 317 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,0,0,0,0,0|3,0,0]=3 318 B9R0.45 C=CCCCCNCC#N 2230a_100000703577_100011215382 [0,0,0,0,0,0|3,0,1]=4 319 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [0,0,0,0,0,0|2,0,2]=4 320 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [0,0,0,0,0,0|2,0,2]=4 321 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [0,0,0,0,0,0|2,0,2]=4 322 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [0,0,0,0,0,0|1,0,2]=3 323 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [0,0,0,0,0,0|1,0,2]=3 324 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,0,0,0,0,0|2,0,0]=2 325 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,0,0,0,0,0|2,0,0]=2 326 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,0,0,0,0,0|3,0,0]=3 327 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,0,0,0,0,0|3,0,0]=3 328 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,0,0,0,0,0|3,0,0]=3 329 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,0,0,0,0,0|3,0,0]=3 330 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,0,0,0,0,0|3,0,0]=3 331 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,0,0,0,0,0|3,0,0]=3 332 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,0,0,0,0,0|3,0,0]=3 333 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,0,0,0,0,0|3,0,0]=3 334 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,0,0,0,0,0|3,0,0]=3 335 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,0,0,0,0,0|3,0,0]=3 336 B9R0.45 C=CCCCCOCC#N 7a_100000766645_100011215382 [0,0,0,0,0,0|3,0,1]=4 337 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [0,0,0,0,0,0|2,0,2]=4 338 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [0,0,0,0,0,0|2,0,2]=4 339 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [0,0,0,0,0,0|2,0,2]=4 340 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [0,0,0,0,0,0|1,0,2]=3 341 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [0,0,0,0,0,0|1,0,2]=3 342 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,0,0,0,0,0|3,0,0]=3 343 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|2,0,0]=2 344 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|2,0,0]=2 345 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|2,0,0]=2 346 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,0,0,0,0,0|3,0,0]=3 347 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,0,0,0,0,0|3,0,0]=3 348 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,0,0,0,0,0|3,0,0]=3 349 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,0,0,0,0,0|3,0,0]=3 350 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,0,0,0,0,0|3,0,0]=3 351 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,0,0,0,0,0|3,0,0]=3 352 B9R0.45 C=CCCCCSCC#N 62a_100011215382_100011215482 [0,0,0,0,0,0|3,0,1]=4 353 B9R0.45 C=CCCCCSCC#N 62a_100011215482_100011215382 [0,0,0,0,0,0|3,0,1]=4 354 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [0,0,0,0,0,0|2,0,2]=4 355 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [0,0,0,0,0,0|2,0,2]=4 356 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,0,0,0,0,0|1,0,2]=3 357 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,0,0,0,0,0|1,0,2]=3 358 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,0,0,0,0,0|2,0,0]=2 359 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,0,0,0,0,0|2,0,0]=2 360 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,0,0,0,0,0|3,0,0]=3 361 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,0,0,0,0,0|3,0,0]=3 362 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,0,0,0,0,0|3,0,0]=3 363 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,0,0,0,0,0|3,0,0]=3 364 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,0,0,0,0,0|3,0,0]=3 365 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,0,0,0,0,0|3,0,0]=3 366 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,0,0,0,0,0|3,0,0]=3 367 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,0,0,0,0,0|3,0,0]=3 368 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [0,0,0,0,0,0|2,0,2]=4 369 B9R0.45 C=CCCCNCC#CC 2230a_100000685387_100011713584 [0,0,0,0,0,0|2,0,2]=4 370 B9R0.45 C=CCCCNCC#CC 2230a_100000700776_100000748600 [0,0,0,0,0,0|2,0,2]=4 371 B9R0.45 C=CCCCNCC#CC 34a_100000685387_100000757094 [0,0,0,0,0,0|2,0,2]=4 372 B9R0.45 C=CCCCNCC#CC 34a_100000700776_100000748600 [0,0,0,0,0,0|2,0,2]=4 373 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [0,0,0,0,0,0|2,0,2]=4 374 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [0,0,0,0,0,0|2,0,2]=4 375 B9R0.45 C=CCCCNCCC#N 2230a_100000700776_100011215226 [0,0,0,0,0,0|3,0,1]=4 376 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [0,0,0,0,0,0|2,0,2]=4 377 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [0,0,0,0,0,0|2,0,2]=4 378 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [0,0,0,0,0,0|2,0,2]=4 379 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,0,0,0,0,0|2,0,0]=2 380 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,0,0,0,0,0|2,0,0]=2 381 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,0,0,0,0,0|2,0,0]=2 382 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,0,0,0,0,0|2,0,0]=2 383 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,0,0,0,0,0|3,0,0]=3 384 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,0,0,0,0,0|3,0,0]=3 385 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,0,0,0,0,0|3,0,0]=3 386 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,0,0,0,0,0|3,0,0]=3 387 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,0,0,0,0,0|3,0,0]=3 388 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,0,0,0,0,0|3,0,0]=3 389 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,0,0,0,0,0|3,0,0]=3 390 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,0,0,0,0,0|3,0,0]=3 391 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,0,0,0,0,0|3,0,0]=3 392 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,0,0,0,0,0|3,0,0]=3 393 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,0,0,0,0,0|3,0,0]=3 394 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,0,0,0,0,0|3,0,0]=3 395 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [0,0,0,0,0,0|2,0,2]=4 396 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [0,0,0,0,0,0|2,0,2]=4 397 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [0,0,0,0,0,0|2,0,2]=4 398 B9R0.45 C=CCCCOCC#CC 34a_100000758997_100000748600 [0,0,0,0,0,0|2,0,2]=4 399 B9R0.45 C=CCCCOCC#CC 34a_100000761923_100000757094 [0,0,0,0,0,0|2,0,2]=4 400 B9R0.45 C=CCCCOCC#CC 7a_100000758997_100000748600 [0,0,0,0,0,0|2,0,2]=4 401 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [0,0,0,0,0,0|2,0,2]=4 402 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [0,0,0,0,0,0|2,0,2]=4 403 B9R0.45 C=CCCCOCCC#N 7a_100000758997_100000184422 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [0,0,0,0,0,0|2,0,2]=4 405 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [0,0,0,0,0,0|2,0,2]=4 406 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [0,0,0,0,0,0|2,0,2]=4 407 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,0,0,0,0,0|3,0,0]=3 408 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,0,0,0,0,0|2,0,0]=2 409 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,0,0,0,0,0|2,0,0]=2 410 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,0,0,0,0,0|2,0,0]=2 411 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,0,0,0,0,0|2,0,0]=2 412 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,0,0,0,0,0|3,0,0]=3 413 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,0,0,0,0,0|3,0,0]=3 414 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,0,0,0,0,0|3,0,0]=3 415 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,0,0,0,0,0|3,0,0]=3 416 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,0,0,0,0,0|3,0,0]=3 417 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,0,0,0,0,0|3,0,0]=3 418 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,0,0,0,0,0|3,0,0]=3 419 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,0,0,0,0,0|3,0,0]=3 420 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,0,0,0,0,0|3,0,0]=3 421 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,0,0,0,0,0|3,0,0]=3 422 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [0,0,0,0,0,0|4,0,0]=4 423 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,0,0,0,0,0|3,0,0]=3 424 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,0,0,0,0,0|3,0,0]=3 425 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,0,0,0,0,0|3,0,0]=3 426 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,0,0,0,0,0|3,0,0]=3 427 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [0,0,0,0,0,0|2,0,2]=4 428 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [0,0,0,0,0,0|2,0,2]=4 429 B9R0.45 C=CCCCSCC#CC 62a_100000748600_100000757094 [0,0,0,0,0,0|2,0,2]=4 430 B9R0.45 C=CCCCSCC#CC 62a_100011713584_100000748600 [0,0,0,0,0,0|2,0,2]=4 431 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [0,0,0,0,0,0|2,0,2]=4 432 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [0,0,0,0,0,0|2,0,2]=4 433 B9R0.45 C=CCCCSCCC#N 62a_100011215226_100000757094 [0,0,0,0,0,0|3,0,1]=4 434 B9R0.45 C=CCCCSCCC#N 62a_100011713584_100011215226 [0,0,0,0,0,0|3,0,1]=4 435 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [0,0,0,0,0,0|2,0,2]=4 436 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [0,0,0,0,0,0|2,0,2]=4 437 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,0,0,0,0,0|2,0,0]=2 438 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,0,0,0,0,0|2,0,0]=2 439 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,0,0,0,0,0|3,0,0]=3 440 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,0,0,0,0,0|3,0,0]=3 441 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,0,0,0,0,0|3,0,0]=3 442 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,0,0,0,0,0|3,0,0]=3 443 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,0,0,0,0,0|3,0,0]=3 444 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,0,0,0,0,0|3,0,0]=3 445 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,0,0,0,0,0|3,0,0]=3 446 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,0,0,0,0,0|3,0,0]=3 447 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,0,0,0,0,0|3,0,0]=3 448 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,0,0,0,0,0|3,0,0]=3 449 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,0,0,0,0,0|2,0,2]=4 450 B9R0.45 C=CCCNCC#CCC 2230a_100015191253_100009813939 [0,0,0,0,0,0|2,0,2]=4 451 B9R0.45 C=CCCNCCCC#N 2230a_100015191253_100000687738 [0,0,0,0,0,0|3,0,1]=4 452 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [0,0,0,0,0,0|1,0,2]=3 453 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,0,0,0,0|2,0,0]=2 454 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,0,0,0,0|2,0,0]=2 455 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,0,0,0,0,0|3,0,0]=3 456 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,0,0,0,0,0|3,0,0]=3 457 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,0,0,0,0,0|3,0,0]=3 458 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,0,0,0,0,0|3,0,0]=3 459 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,0,0,0,0,0|3,0,0]=3 460 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,0,0,0,0,0|3,0,0]=3 461 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,0,0,0,0,0|3,0,0]=3 462 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,0,0,0,0,0|3,0,0]=3 463 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,0,0,0,0,0|3,0,0]=3 464 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,0,0,0,0,0|3,0,0]=3 465 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,0,0,0,0,0|3,0,0]=3 466 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,0,0,0,0,0|3,0,0]=3 467 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,0,0,0,0,0|2,0,2]=4 468 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,0,0,0,0,0|2,0,2]=4 469 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [0,0,0,0,0,0|2,0,2]=4 470 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [0,0,0,0,0,0|2,0,2]=4 471 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,0,0,0,0,0|2,0,2]=4 472 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [0,0,0,0,0,0|2,0,2]=4 473 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,0,0,0,0,0|3,0,0]=3 474 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,0,0,0,0|2,0,0]=2 475 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,0,0,0,0|2,0,0]=2 476 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,0,0,0,0|2,0,0]=2 477 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,0,0,0,0,0|3,0,0]=3 478 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,0,0,0,0,0|3,0,0]=3 479 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,0,0,0,0,0|3,0,0]=3 480 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,0,0,0,0,0|3,0,0]=3 481 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,0,0,0,0,0|3,0,0]=3 482 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,0,0,0,0,0|3,0,0]=3 483 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,0,0,0,0,0|3,0,0]=3 484 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,0,0,0,0,0|3,0,0]=3 485 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,0,0,0,0,0|3,0,0]=3 486 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,0,0,0,0,0|3,0,0]=3 487 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,0,0,0,0,0|3,0,0]=3 488 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,0,0,0,0,0|3,0,0]=3 489 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,0,0,0,0,0|3,0,0]=3 490 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,0,0,0,0,0|3,0,0]=3 491 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,0,0,0,0,0|3,0,0]=3 492 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,0,0,0,0,0|3,0,0]=3 493 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,0,0,0,0,0|3,0,0]=3 494 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,0,0,0,0,0|3,0,0]=3 495 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,0,0,0,0,0|3,0,0]=3 496 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,0,0,0,0,0|2,0,2]=4 497 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,0,0,0,0,0|2,0,2]=4 498 B9R0.45 C=CCCSCC#CCC 62a_100000754431_100009813939 [0,0,0,0,0,0|2,0,2]=4 499 B9R0.45 C=CCCSCC#CCC 62a_100009813939_100000754431 [0,0,0,0,0,0|2,0,2]=4 500 B9R0.45 C=CCCSCCCC#N 62a_100000687738_100000754431 [0,0,0,0,0,0|3,0,1]=4 501 B9R0.45 C=CCCSCCCC#N 62a_100000754431_100000687738 [0,0,0,0,0,0|3,0,1]=4 502 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,0,0,0,0,0|1,0,2]=3 503 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,0,0,0,0,0|1,0,2]=3 504 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,0,0,0,0|2,0,0]=2 505 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,0,0,0,0|2,0,0]=2 506 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,0,0,0,0,0|3,0,0]=3 507 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,0,0,0,0,0|3,0,0]=3 508 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,0,0,0,0,0|3,0,0]=3 509 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,0,0,0,0,0|3,0,0]=3 510 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,0,0,0,0,0|3,0,0]=3 511 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,0,0,0,0,0|3,0,0]=3 512 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,0,0,0,0,0|3,0,0]=3 513 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,0,0,0,0,0|3,0,0]=3 514 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,0,0,0,0,0|3,0,0]=3 515 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,0,0,0,0,0|3,0,0]=3 516 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,0,0,0,0,0|2,0,2]=4 517 B9R0.45 C=CCNCCCCC#N 2230a_100020586998_100000211819 [0,0,0,0,0,0|3,0,1]=4 518 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [0,0,0,0,0,0|1,0,2]=3 519 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,0,0,0,0|2,0,0]=2 520 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,0,0,0,0|2,0,0]=2 521 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,0,0,0,0,0|3,0,0]=3 522 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,0,0,0,0,0|3,0,0]=3 523 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,0,0,0,0,0|3,0,0]=3 524 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,0,0,0,0,0|3,0,0]=3 525 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,0,0,0,0,0|3,0,0]=3 526 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,0,0,0,0,0|3,0,0]=3 527 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,0,0,0,0,0|3,0,0]=3 528 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,0,0,0,0,0|3,0,0]=3 529 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,0,0,0,0,0|3,0,0]=3 530 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,0,0,0,0,0|3,0,0]=3 531 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,0,0,0,0,0|3,0,0]=3 532 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [0,0,0,0,0,0|4,0,0]=4 533 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [0,0,0,0,0,0|4,0,0]=4 534 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [0,0,0,0,0,0|4,0,0]=4 535 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,0,0,0,0,0|3,0,0]=3 536 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,0,0,0,0,0|4,0,0]=4 537 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,0,0,0,0,0|3,0,0]=3 538 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [0,0,0,0,0,0|4,0,0]=4 539 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,0,0,0,0,0|2,0,2]=4 540 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,0,0,0,0,0|2,0,2]=4 541 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [0,0,0,0,0,0|2,0,2]=4 542 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [0,0,0,0,0,0|2,0,2]=4 543 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,0,0,0,0,0|2,0,2]=4 544 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,0,0,0,0,0|2,0,2]=4 545 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,0,0,0,0,0|2,0,2]=4 546 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [0,0,0,0,0,0|2,0,2]=4 547 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [0,0,0,0,0,0|2,0,2]=4 548 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,0,0,0,0,0|2,0,2]=4 549 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,0,0,0,0,0|3,0,0]=3 550 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,0,0,0,0,0|3,0,0]=3 551 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|2,0,0]=2 552 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|2,0,0]=2 553 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|2,0,0]=2 554 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,0,0,0,0,0|3,0,0]=3 555 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,0,0,0,0,0|3,0,0]=3 556 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,0,0,0,0,0|3,0,0]=3 557 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,0,0,0,0,0|3,0,0]=3 558 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,0,0,0,0,0|3,0,0]=3 559 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,0,0,0,0,0|3,0,0]=3 560 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,0,0,0,0,0|3,0,0]=3 561 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,0,0,0,0,0|3,0,0]=3 562 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,0,0,0,0,0|3,0,0]=3 563 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,0,0,0,0,0|3,0,0]=3 564 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,0,0,0,0,0|3,0,0]=3 565 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,0,0,0,0,0|3,0,0]=3 566 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,0,0,0,0,0|3,0,0]=3 567 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,0,0,0,0,0|3,0,0]=3 568 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,0,0,0,0,0|3,0,0]=3 569 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,0,0,0,0,0|3,0,0]=3 570 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [0,0,0,0,0,0|2,0,2]=4 571 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [0,0,0,0,0,0|2,0,2]=4 572 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [0,0,0,0,0,0|4,0,0]=4 573 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [0,0,0,0,0,0|4,0,0]=4 574 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,0,0,0,0,0|3,0,0]=3 575 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,0,0,0,0,0|3,0,0]=3 576 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,0,0,0,0,0|3,0,0]=3 577 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,0,0,0,0,0|3,0,0]=3 578 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,0,0,0,0,0|3,0,0]=3 579 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [0,0,0,0,0,0|4,0,0]=4 580 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [0,0,0,0,0,0|4,0,0]=4 581 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [0,0,0,0,0,0|4,0,0]=4 582 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [0,0,0,0,0,0|4,0,0]=4 583 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [0,0,0,0,0,0|4,0,0]=4 584 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [0,0,0,0,0,0|4,0,0]=4 585 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [0,0,0,0,0,0|4,0,0]=4 586 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [0,0,0,0,0,0|4,0,0]=4 587 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [0,0,0,0,0,0|4,0,0]=4 588 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,0,0,0,0,0|4,0,0]=4 589 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,0,0,0,0,0|4,0,0]=4 590 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,0,0,0,0,0|4,0,0]=4 591 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [0,0,0,0,0,0|4,0,0]=4 592 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,0,0,0,0,0|3,0,0]=3 593 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,0,0,0,0,0|3,0,0]=3 594 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,0,0,0,0,0|3,0,0]=3 595 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,0,0,0,0,0|2,0,2]=4 596 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,0,0,0,0,0|2,0,2]=4 597 B9R0.45 C=CCSCCCCC#N 62a_100000210623_100000211819 [0,0,0,0,0,0|3,0,1]=4 598 B9R0.45 C=CCSCCCCC#N 62a_100011219923_100000210623 [0,0,0,0,0,0|3,0,1]=4 599 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,0,0,0,0,0|1,0,2]=3 600 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,0,0,0,0,0|1,0,2]=3 601 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,0,0,0,0|2,0,0]=2 602 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,0,0,0,0|2,0,0]=2 603 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,0,0,0,0,0|3,0,0]=3 604 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,0,0,0,0,0|3,0,0]=3 605 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,0,0,0,0,0|3,0,0]=3 606 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,0,0,0,0,0|3,0,0]=3 607 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,0,0,0,0,0|3,0,0]=3 608 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,0,0,0,0,0|3,0,0]=3 609 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,0,0,0,0,0|3,0,0]=3 610 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,0,0,0,0,0|3,0,0]=3 611 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,0,0,0,0,0|3,0,0]=3 612 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,0,0,0,0,0|3,0,0]=3 613 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [0,0,0,0,0,0|4,0,0]=4 614 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [0,0,0,0,0,0|4,0,0]=4 615 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,0,0,0,0,0|3,0,0]=3 616 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,0,0,0,0,0|3,0,0]=3 617 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [0,0,0,0,0,0|4,0,0]=4 618 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [0,0,0,0,0,0|4,0,0]=4 619 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,0,0,0,0,0|3,0,0]=3 620 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,0,0,0,0,0|3,0,0]=3 621 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [0,0,0,0,0,0|4,0,0]=4 622 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [0,0,0,0,0,0|4,0,0]=4 623 B9R0.45 C=COCCCNCC=O 2230a_100000210767_200015260668 [0,0,0,0,0,0|2,0,2]=4 624 B9R0.45 C=COCCCNCC=O 34a_100000210767_200009817547 [0,0,0,0,0,0|2,0,2]=4 625 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,0,0,0,0,0|3,0,0]=3 626 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,0,0,0,0,0|3,0,0]=3 627 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [0,0,0,0,0,0|4,0,0]=4 628 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [0,0,0,0,0,0|4,0,0]=4 629 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,0,0,0,0,0|4,0,0]=4 630 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,0,0,0,0,0|4,0,0]=4 631 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [0,0,0,0,0,0|4,0,0]=4 632 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [0,0,0,0,0,0|4,0,0]=4 633 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [0,0,0,0,0,0|4,0,0]=4 634 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,0,0,0,0,0|3,0,0]=3 635 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,0,0,0,0,0|3,0,0]=3 636 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [0,0,0,0,0,0|4,0,0]=4 637 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [0,0,0,0,0,0|4,0,0]=4 638 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,0,0,0,0,0|4,0,0]=4 639 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,0,0,0,0,0|4,0,0]=4 640 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,0,0,0,0,0|4,0,0]=4 641 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,0,0,0,0,0|3,0,0]=3 642 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,0,0,0,0,0|3,0,0]=3 643 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,0,0,0,0,0|3,0,0]=3 644 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,0,0,0,0,0|4,0,0]=4 645 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,0,0,0,0,0|4,0,0]=4 646 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,0,0,0,0,0|4,0,0]=4 647 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,0,0,0,0,0|4,0,0]=4 648 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,0,0,0,0,0|4,0,0]=4 649 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,0,0,0,0,0|4,0,0]=4 650 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,0,0,0,0,0|4,0,0]=4 651 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,0,0,0,0,0|4,0,0]=4 652 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,0,0,0,0,0|4,0,0]=4 653 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,0,0,0,0,0|4,0,0]=4 654 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,0,0,0,0,0|4,0,0]=4 655 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,0,0,0,0,0|4,0,0]=4 656 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,0,0,0,0,0|4,0,0]=4 657 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,0,0,0,0,0|4,0,0]=4 658 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,0,0,0,0,0|3,0,0]=3 659 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,0,0,0,0,0|3,0,0]=3 660 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,0,0,0,0,0|4,0,0]=4 661 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,0,0,0,0,0|4,0,0]=4 662 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,0,0,0,0,0|4,0,0]=4 663 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,0,0,0,0,0|4,0,0]=4 664 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,0,0,0,0,0|4,0,0]=4 665 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,0,0,0,0,0|4,0,0]=4 666 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,0,0,0,0,0|4,0,0]=4 667 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,0,0,0,0,0|4,0,0]=4 668 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [0,0,0,0,0,0|4,0,0]=4 669 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [0,0,0,0,0,0|4,0,0]=4 670 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,0,0,0,0,0|2,0,2]=4 671 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [0,0,0,0,0,0|1,0,2]=3 672 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,0,0,0,0,0|2,0,2]=4 673 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,0,0,0,0,0|2,0,2]=4 674 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,0,0,0,0,0|2,0,2]=4 675 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,0,0,0,0,0|2,0,2]=4 676 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,0,0,0,0,0|2,0,2]=4 677 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,0,0,0,0,0|2,0,2]=4 678 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [0,0,0,0,0,0|1,0,2]=3 679 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [0,0,0,0,0,0|1,0,2]=3 680 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,0,0,0,0,0|2,0,2]=4 681 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,0,0,0,0,0|2,0,2]=4 682 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 683 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 684 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 685 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 686 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,0,0,0,0,0|1,0,2]=3 687 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,0,0,0,0,0|1,0,2]=3 688 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,0,0,0,0,0|1,0,2]=3 689 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,0,0,0,0,0|1,0,2]=3 690 B9R0.45 CC=C=CCCOCC=O 34a_100011020354_200009817547 [0,0,0,0,0,0|1,0,3]=4 691 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,0,0,0,0,0|2,0,2]=4 692 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [0,0,0,0,0,0|1,0,2]=3 693 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,0,0,0,0,0|2,0,1]=3 694 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,0,0,0,0,0|3,0,1]=4 695 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,0,0,0,0,0|3,0,1]=4 696 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [0,0,0,0,0,0|3,0,1]=4 697 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,0,0,0,0,0|2,0,1]=3 698 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,0,0,0,0,0|3,0,1]=4 699 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,0,0,0,0,0|3,0,1]=4 700 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,0,0,0,0,0|3,0,1]=4 701 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,0,0,0,0,0|3,0,1]=4 702 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,0,0,0,0,0|3,0,1]=4 703 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,0,0,0,0,0|3,0,1]=4 704 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [0,0,0,0,0,0|3,0,1]=4 705 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,0,0,0,0,0|3,0,1]=4 706 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,0,0,0,0,0|2,0,1]=3 707 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,0,0,0,0,0|2,0,1]=3 708 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,0,0,0,0,0|3,0,1]=4 709 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,0,0,0,0,0|3,0,1]=4 710 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,0,0,0,0,0|3,0,1]=4 711 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,0,0,0,0,0|3,0,1]=4 712 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,0,0,0,0,0|3,0,1]=4 713 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,0,0,0,0,0|3,0,1]=4 714 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,0,0,0,0,0|3,0,1]=4 715 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,0,0,0,0,0|3,0,1]=4 716 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,0,0,0,0,0|3,0,1]=4 717 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,0,0,0,0,0|3,0,1]=4 718 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,0,0,0,0,0|3,0,1]=4 719 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,0,0,0,0,0|3,0,1]=4 720 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,0,0,0,0,0|3,0,1]=4 721 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,0,0,0,0,0|3,0,1]=4 722 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,0,0,0,0,0|1,0,2]=3 723 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,0,0,0,0,0|1,0,2]=3 724 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,0,0,0,0,0|2,0,1]=3 725 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,0,0,0,0,0|2,0,1]=3 726 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,0,0,0,0,0|3,0,1]=4 727 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,0,0,0,0,0|3,0,1]=4 728 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,0,0,0,0,0|3,0,1]=4 729 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,0,0,0,0,0|3,0,1]=4 730 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,0,0,0,0,0|3,0,1]=4 731 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,0,0,0,0,0|3,0,1]=4 732 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,0,0,0,0,0|3,0,1]=4 733 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,0,0,0,0,0|3,0,1]=4 734 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,0,0,0,0,0|3,0,1]=4 735 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,0,0,0,0,0|3,0,1]=4 736 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [0,0,0,0,0,0|1,0,2]=3 737 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [0,0,0,0,0,0|1,0,2]=3 738 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,0,0,0,0,0|1,0,2]=3 739 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,0,0,0,0,0|1,0,2]=3 740 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [0,0,0,0,0,0|1,0,2]=3 741 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [0,0,0,0,0,0|1,0,2]=3 742 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,0,0,0,0,0|2,0,2]=4 743 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,0,0,0,0,0|2,0,2]=4 744 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,0,0,0,0,0|2,0,2]=4 745 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,0,0,0,0,0|2,0,2]=4 746 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,0,0,0,0,0|2,0,2]=4 747 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,0,0,0,0,0|2,0,2]=4 748 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,0,0,0,0,0|2,0,2]=4 749 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,0,0,0,0,0|2,0,2]=4 750 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,0,0,0,0,0|2,0,2]=4 751 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,0,0,0,0,0|2,0,2]=4 752 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,0,0,0,0,0|2,0,2]=4 753 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,0,0,0,0,0|2,0,2]=4 754 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,0,0,0,0,0|2,0,2]=4 755 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,0,0,0,0,0|2,0,2]=4 756 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,0,0,0,0,0|2,0,2]=4 757 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,0,0,0,0,0|2,0,2]=4 758 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,0,0,0,0,0|2,0,2]=4 759 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,0,0,0,0,0|2,0,2]=4 760 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,0,0,0,0,0|2,0,2]=4 761 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,0,0,0,0,0|2,0,2]=4 762 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,0,0,0,0,0|2,0,2]=4 763 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,0,0,0,0,0|2,0,2]=4 764 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,0,0,0,0,0|2,0,2]=4 765 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,0,0,0,0,0|2,0,2]=4 766 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|2,0,0]=2 767 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|2,0,0]=2 768 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|2,0,0]=2 769 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|2,0,0]=2 770 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|2,0,0]=2 771 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|2,0,0]=2 772 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|2,0,0]=2 773 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|2,0,0]=2 774 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|2,0,0]=2 775 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|2,0,0]=2 776 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|2,0,0]=2 777 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|2,0,0]=2 778 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|2,0,0]=2 779 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|2,0,0]=2 780 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|2,0,0]=2 781 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|2,0,0]=2 782 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|2,0,1]=3 783 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|2,0,1]=3 784 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,1]=3 785 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,1]=3 786 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,1]=3 787 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,0,0,0,0,0|2,0,1]=3 788 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,0,0,0,0,0|2,0,1]=3 789 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,1]=3 790 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,1]=3 791 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,0,0,0,0,0|2,0,1]=3 792 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,0,0,0,0,0|2,0,1]=3 793 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,0,0,0,0,0|2,0,1]=3 794 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,0,0,0,0,0|1,0,0]=1 795 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|2,0,1]=3 796 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|2,0,1]=3 797 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|2,0,1]=3 798 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|1,0,2]=3 799 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|1,0,2]=3 800 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|1,0,2]=3 801 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,0,0,0,0,0|3,0,0]=3 802 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,0,0,0,0,0|3,0,0]=3 803 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,0,0,0,0,0|2,0,1]=3 804 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|1,0,0]=1 805 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|1,0,0]=1 806 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|2,0,1]=3 807 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|2,0,1]=3 808 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|2,0,1]=3 809 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|2,0,1]=3 810 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|2,0,1]=3 811 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|2,0,1]=3 812 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|2,0,1]=3 813 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|1,0,2]=3 814 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|1,0,2]=3 815 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|3,0,0]=3 816 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,0,0,0,0,0|2,0,1]=3 817 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,0,0,0,0,0|2,0,1]=3 818 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,0,0,0,0,0|1,0,0]=1 819 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,0,0,0,0,0|1,0,0]=1 820 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|2,0,1]=3 821 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|2,0,1]=3 822 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|2,0,1]=3 823 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|2,0,1]=3 824 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|1,0,2]=3 825 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|1,0,2]=3 826 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,0,0,0,0,0|3,0,0]=3 827 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,0,0,0,0,0|3,0,0]=3 828 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,0,0,0,0,0|3,0,0]=3 829 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,0,0,0,0,0|3,0,0]=3 830 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,0,0,0,0,0|2,0,1]=3 831 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,0,0,0,0,0|2,0,1]=3 832 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,0,0,0,0,0|2,0,1]=3 833 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,0,0,0,0,0|2,0,1]=3 834 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,0,0,0,0,0|2,0,1]=3 835 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,0,0,0,0,0|2,0,1]=3 836 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,0,0,0,0,0|2,0,1]=3 837 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|1,0,2]=3 838 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,0,0,0,0,0|3,0,0]=3 839 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,0,0,0,0,0|3,0,0]=3 840 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,0,0,0,0,0|3,0,0]=3 841 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,0,0,0,0,0|3,0,0]=3 842 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,0,0,0,0,0|3,0,0]=3 843 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,0,0,0,0,0|3,0,0]=3 844 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,0,0,0,0,0|2,0,1]=3 845 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,0,0,0,0,0|2,0,1]=3 846 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,0,0,0,0,0|2,0,1]=3 847 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,0,0,0,0,0|2,0,1]=3 848 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,0,0,0,0,0|2,0,1]=3 849 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,0,0,0,0,0|2,0,1]=3 850 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,0,0,0,0,0|2,0,1]=3 851 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,0,0,0,0,0|2,0,1]=3 852 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,0,0,0,0,0|2,0,1]=3 853 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,0,0,0,0,0|2,0,1]=3 854 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,0,0,0,0,0|2,0,1]=3 855 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|1,0,2]=3 856 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|1,0,2]=3 857 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,0,0,0,0,0|3,0,0]=3 858 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,0,0,0,0,0|3,0,0]=3 859 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,0,0,0,0,0|3,0,0]=3 860 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,0,0,0,0,0|3,0,0]=3 861 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,0,0,0,0,0|3,0,0]=3 862 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,0,0,0,0,0|3,0,0]=3 863 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,0,0,0,0,0|3,0,0]=3 864 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,0,0,0,0,0|3,0,0]=3 865 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,0,0,0,0,0|3,0,0]=3 866 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,0,0,0,0,0|3,0,0]=3 867 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,0,0,0,0,0|3,0,0]=3 868 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,0,0,0,0,0|3,0,0]=3 869 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,0,0,0,0,0|2,0,1]=3 870 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,0,0,0,0,0|2,0,1]=3 871 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,0,0,0,0,0|2,0,1]=3 872 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,0,0,0,0,0|2,0,1]=3 873 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,0,0,0,0,0|2,0,1]=3 874 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,0,0,0,0,0|2,0,1]=3 875 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|1,0,2]=3 876 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|1,0,2]=3 877 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,0,0,0,0,0|3,0,0]=3 878 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,0,0,0,0,0|3,0,0]=3 879 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,0,0,0,0,0|3,0,0]=3 880 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,0,0,0,0,0|3,0,0]=3 881 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,0,0,0,0,0|3,0,1]=4 882 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,0,0,0,0,0|3,0,1]=4 883 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,0,0,0,0,0|3,0,1]=4 884 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,0,0,0,0,0|3,0,1]=4 885 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,0,0,0,0,0|2,0,1]=3 886 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,0,0,0,0,0|2,0,1]=3 887 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,0,0,0,0,0|1,0,0]=1 888 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,0,0,0,0,0|1,0,0]=1 889 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,0,0,0,0,0|2,0,1]=3 890 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,0,0,0,0,0|2,0,1]=3 891 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|1,0,2]=3 892 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|1,0,2]=3 893 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|1,0,2]=3 894 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|1,0,2]=3 895 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,0,0,0,0,0|3,0,0]=3 896 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,0,0,0,0,0|3,0,0]=3 897 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,0,0,0,0,0|3,0,0]=3 898 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,0,0,0,0,0|3,0,0]=3 899 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,0,0,0,0,0|3,0,1]=4 900 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,0,0,0,0,0|3,0,1]=4 901 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,0,0,0,0,0|3,0,1]=4 902 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,0,0,0,0,0|3,0,1]=4 903 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,0,0,0,0,0|3,0,1]=4 904 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,0,0,0,0,0|3,0,1]=4 905 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,0,0,0,0,0|3,0,1]=4 906 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,0,0,0,0,0|2,0,1]=3 907 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,0,0,0,0,0|1,0,0]=1 908 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,0,0,0,0,0|2,0,1]=3 909 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,0,0,0,0,0|2,0,1]=3 910 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,0,0,0,0,0|2,0,1]=3 911 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,0,0,0,0,0|2,0,1]=3 912 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,0,0,0,0,0|2,0,1]=3 913 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,0,0,0,0,0|2,0,1]=3 914 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,0,0,0,0,0|2,0,1]=3 915 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,0,0,0,0,0|2,0,1]=3 916 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,0,0,0,0,0|2,0,1]=3 917 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|1,0,2]=3 918 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|1,0,2]=3 919 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,0,0,0,0,0|3,0,0]=3 920 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,0,0,0,0,0|3,0,0]=3 921 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,0,0,0,0,0|3,0,0]=3 922 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,0,0,0,0,0|3,0,0]=3 923 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,0,0,0,0,0|3,0,0]=3 924 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,0,0,0,0,0|3,0,0]=3 925 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,0,0,0,0,0|3,0,0]=3 926 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,0,0,0,0,0|3,0,0]=3 927 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,0,0,0,0,0|3,0,0]=3 928 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,0,0,0,0,0|3,0,0]=3 929 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,0,0,0,0,0|3,0,0]=3 930 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,0,0,0,0,0|3,0,0]=3 931 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,0,0,0,0,0|3,0,0]=3 932 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,0,0,0,0,0|3,0,0]=3 933 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,0,0,0,0,0|3,0,1]=4 934 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,0,0,0,0,0|3,0,1]=4 935 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,0,0,0,0,0|3,0,1]=4 936 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 937 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,0,0,0,0,0|3,0,1]=4 938 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,0,0,0,0,0|3,0,1]=4 939 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,0,0,0,0,0|3,0,1]=4 940 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 941 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,0,0,0,0,0|3,0,1]=4 942 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,0,0,0,0,0|3,0,1]=4 943 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 944 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,0,0,0,0,0|3,0,1]=4 945 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,0,0,0,0,0|3,0,1]=4 946 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,0,0,0,0,0|3,0,1]=4 947 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 948 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,0,0,0,0,0|3,0,1]=4 949 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,0,0,0,0,0|3,0,1]=4 950 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,0,0,0,0,0|3,0,1]=4 951 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,0,0,0,0,0|3,0,1]=4 952 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,0,0,0,0,0|2,0,2]=4 953 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,0,0,0,0,0|2,0,2]=4 954 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,0,0,0,0,0|3,0,1]=4 955 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,0,0,0,0,0|3,0,1]=4 956 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,0,0,0,0,0|3,0,1]=4 957 B9R0.45 CCCCOCSCC#N 62a_100011215382_100011995733 [0,0,0,0,0,0|3,0,1]=4 958 B9R0.45 CCCCOCSCC#N 62a_100011995733_100011215382 [0,0,0,0,0,0|3,0,1]=4 959 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,0,0,0,0,0|2,0,0]=2 960 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,0,0,0,0,0|2,0,0]=2 961 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,0,0,0,0,0|3,0,1]=4 962 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,0,0,0,0,0|3,0,1]=4 963 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,0,0,0,0,0|3,0,1]=4 964 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,0,0,0,0,0|3,0,1]=4 965 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,0,0,0,0,0|2,0,2]=4 966 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,0,0,0,0,0|2,0,2]=4 967 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,0,0,0,0,0|4,0,0]=4 968 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,0,0,0,0,0|4,0,0]=4 969 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,0,0,0,0,0|4,0,0]=4 970 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,0,0,0,0,0|4,0,0]=4 971 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,0,0,0,0,0|2,0,1]=3 972 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,0,0,0,0,0|2,0,1]=3 973 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,0,0,0,0,0|1,0,0]=1 974 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,0,0,0,0,0|1,0,0]=1 975 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,0,0,0,0,0|2,0,1]=3 976 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,0,0,0,0,0|2,0,1]=3 977 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|1,0,2]=3 978 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|1,0,2]=3 979 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,0,0,0,0,0|3,0,0]=3 980 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,0,0,0,0,0|3,0,0]=3 981 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,0,0,0,0,0|3,0,1]=4 982 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 983 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,0,0,0,0,0|3,0,1]=4 984 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,0,0,0,0,0|3,0,1]=4 985 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 986 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,0,0,0,0,0|3,0,1]=4 987 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,0,0,0,0,0|3,0,1]=4 988 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,0,0,0,0,0|3,0,1]=4 989 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,0,0,0,0,0|3,0,1]=4 990 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,0,0,0,0,0|3,0,1]=4 991 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,0,0,0,0,0|3,0,1]=4 992 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|1,0,2]=3 993 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|1,0,2]=3 994 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,0,0,0,0,0|4,0,0]=4 995 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 996 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 997 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,0,0,0,0,0|3,0,1]=4 998 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,0,0,0,0,0|3,0,1]=4 999 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,0,0,0,0,0|2,0,2]=4 1000 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,0,0,0,0,0|2,0,2]=4 1001 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,0,0,0,0,0|3,0,1]=4 1002 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,0,0,0,0,0|2,0,2]=4 1003 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|2,0,1]=3 1004 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|2,0,1]=3 1005 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|2,0,1]=3 1006 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|2,0,1]=3 1007 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|2,0,1]=3 1008 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|2,0,1]=3 1009 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|2,0,1]=3 1010 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|2,0,1]=3 1011 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|1,0,2]=3 1012 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|3,0,0]=3 1013 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|3,0,0]=3 1014 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|3,0,0]=3 1015 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|3,0,0]=3 1016 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|3,0,1]=4 1017 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|3,0,1]=4 1018 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,0,0,0,0,0|3,0,1]=4 1019 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|3,0,1]=4 1020 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 1021 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 1022 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 1023 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 1024 B9R0.45 CCCOCCNCC#N 2230a_100161115042_100011215382 [0,0,0,0,0,0|3,0,1]=4 1025 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,0,0,0,0,0|2,0,0]=2 1026 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,0,0,0,0,0|2,0,0]=2 1027 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,0,0,0,0,0|3,0,1]=4 1028 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,0,0,0,0,0|3,0,1]=4 1029 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,0,0,0,0,0|3,0,1]=4 1030 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,0,0,0,0,0|2,0,2]=4 1031 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,0,0,0,0,0|2,0,2]=4 1032 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,0,0,0,0,0|2,0,2]=4 1033 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,0,0,0,0,0|2,0,2]=4 1034 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,0,0,0,0,0|4,0,0]=4 1035 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 1036 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 1037 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [0,0,0,0,0,0|3,0,1]=4 1038 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,0,0,0,0,0|2,0,0]=2 1039 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,0,0,0,0,0|2,0,0]=2 1040 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,0,0,0,0,0|3,0,1]=4 1041 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,0,0,0,0,0|3,0,1]=4 1042 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,0,0,0,0,0|3,0,1]=4 1043 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,0,0,0,0,0|3,0,1]=4 1044 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,0,0,0,0,0|3,0,1]=4 1045 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,0,0,0,0,0|3,0,1]=4 1046 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,0,0,0,0,0|3,0,1]=4 1047 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,0,0,0,0,0|3,0,1]=4 1048 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,0,0,0,0,0|3,0,1]=4 1049 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,0,0,0,0,0|3,0,1]=4 1050 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,0,0,0,0,0|3,0,1]=4 1051 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,0,0,0,0,0|3,0,1]=4 1052 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,0,0,0,0,0|3,0,1]=4 1053 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,0,0,0,0,0|3,0,1]=4 1054 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,0,0,0,0,0|3,0,1]=4 1055 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,0,0,0,0,0|3,0,1]=4 1056 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,0,0,0,0,0|2,0,2]=4 1057 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,0,0,0,0,0|2,0,2]=4 1058 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,0,0,0,0,0|2,0,2]=4 1059 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,0,0,0,0,0|4,0,0]=4 1060 B9R0.45 CCCOCCSCC#N 62a_100011215382_100011215938 [0,0,0,0,0,0|3,0,1]=4 1061 B9R0.45 CCCOCCSCC#N 62a_100011215938_100011215382 [0,0,0,0,0,0|3,0,1]=4 1062 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,0,0,0,0,0|2,0,0]=2 1063 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,0,0,0,0,0|2,0,0]=2 1064 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,0,0,0,0,0|3,0,1]=4 1065 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,0,0,0,0,0|3,0,1]=4 1066 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,0,0,0,0,0|3,0,1]=4 1067 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,0,0,0,0,0|3,0,1]=4 1068 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,0,0,0,0,0|3,0,1]=4 1069 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,0,0,0,0,0|3,0,1]=4 1070 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,0,0,0,0,0|2,0,2]=4 1071 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,0,0,0,0,0|2,0,2]=4 1072 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,0,0,0,0,0|4,0,0]=4 1073 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,0,0,0,0,0|4,0,0]=4 1074 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,0,0,0,0,0|4,0,0]=4 1075 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,0,0,0,0,0|4,0,0]=4 1076 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,0,0,0,0,0|2,0,1]=3 1077 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,0,0,0,0,0|2,0,1]=3 1078 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,0,0,0,0,0|1,0,0]=1 1079 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,0,0,0,0,0|1,0,0]=1 1080 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|2,0,1]=3 1081 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|2,0,1]=3 1082 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|1,0,2]=3 1083 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|1,0,2]=3 1084 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|3,0,0]=3 1085 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|3,0,0]=3 1086 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,0,0,0,0,0|3,0,1]=4 1087 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,0,0,0,0,0|3,0,1]=4 1088 B9R0.45 CCCSCCNCC#N 2230a_100020603323_100011215382 [0,0,0,0,0,0|3,0,1]=4 1089 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,0,0,0,0,0|2,0,0]=2 1090 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,0,0,0,0,0|3,0,1]=4 1091 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,0,0,0,0,0|2,0,2]=4 1092 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,0,0,0,0,0|4,0,0]=4 1093 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [0,0,0,0,0,0|4,0,0]=4 1094 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,0,0,0,0,0|3,0,1]=4 1095 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,0,0,0,0,0|3,0,1]=4 1096 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,0,0,0,0,0|3,0,1]=4 1097 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,0,0,0,0,0|2,0,0]=2 1098 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,0,0,0,0,0|2,0,0]=2 1099 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,0,0,0,0,0|3,0,1]=4 1100 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,0,0,0,0,0|3,0,1]=4 1101 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,0,0,0,0,0|2,0,2]=4 1102 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,0,0,0,0,0|2,0,2]=4 1103 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,0,0,0,0,0|2,0,2]=4 1104 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,0,0,0,0,0|2,0,2]=4 1105 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,0,0,0,0,0|4,0,0]=4 1106 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,0,0,0,0,0|4,0,0]=4 1107 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,0,0,0,0,0|4,0,0]=4 1108 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,0,0,0,0,0|2,0,1]=3 1109 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,0,0,0,0,0|1,0,0]=1 1110 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|2,0,1]=3 1111 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|1,0,2]=3 1112 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|1,0,2]=3 1113 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|1,0,2]=3 1114 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,0,0,0,0,0|3,0,0]=3 1115 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,0,0,0,0,0|3,0,0]=3 1116 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,0,0,0,0,0|4,0,0]=4 1117 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,0,0,0,0,0|4,0,0]=4 1118 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,0,0,0,0,0|4,0,0]=4 1119 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,0,0,0,0,0|4,0,0]=4 1120 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|2,0,1]=3 1121 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|2,0,1]=3 1122 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|2,0,1]=3 1123 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|2,0,1]=3 1124 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|2,0,1]=3 1125 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|2,0,1]=3 1126 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|2,0,1]=3 1127 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|2,0,1]=3 1128 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|1,0,2]=3 1129 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,0,0,0,0,0|3,0,0]=3 1130 B9R0.45 CCOCCCNCC#N 2230a_100000210961_100011215382 [0,0,0,0,0,0|3,0,1]=4 1131 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,0,0,0,0,0|2,0,0]=2 1132 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,0,0,0,0,0|2,0,0]=2 1133 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,0,0,0,0,0|3,0,1]=4 1134 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,0,0,0,0,0|3,0,1]=4 1135 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,0,0,0,0,0|3,0,1]=4 1136 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,0,0,0,0,0|2,0,2]=4 1137 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,0,0,0,0,0|2,0,2]=4 1138 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,0,0,0,0,0|2,0,2]=4 1139 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,0,0,0,0,0|2,0,2]=4 1140 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,0,0,0,0,0|4,0,0]=4 1141 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,0,0,0,0,0|4,0,0]=4 1142 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,0,0,0,0,0|4,0,0]=4 1143 B9R0.45 CCOCCCOCC#N 7a_100000757476_100011215382 [0,0,0,0,0,0|3,0,1]=4 1144 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,0,0,0,0,0|2,0,0]=2 1145 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,0,0,0,0,0|2,0,0]=2 1146 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,0,0,0,0,0|3,0,1]=4 1147 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,0,0,0,0,0|3,0,1]=4 1148 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,0,0,0,0,0|3,0,1]=4 1149 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,0,0,0,0,0|3,0,1]=4 1150 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,0,0,0,0,0|2,0,2]=4 1151 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,0,0,0,0,0|2,0,2]=4 1152 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,0,0,0,0,0|4,0,0]=4 1153 B9R0.45 CCOCCCSCC#N 62a_100011215382_100012232248 [0,0,0,0,0,0|3,0,1]=4 1154 B9R0.45 CCOCCCSCC#N 62a_100012232248_100011215382 [0,0,0,0,0,0|3,0,1]=4 1155 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,0,0,0,0,0|2,0,0]=2 1156 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,0,0,0,0,0|2,0,0]=2 1157 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,0,0,0,0,0|3,0,1]=4 1158 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,0,0,0,0,0|3,0,1]=4 1159 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,0,0,0,0,0|2,0,2]=4 1160 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,0,0,0,0,0|2,0,2]=4 1161 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,0,0,0,0,0|4,0,0]=4 1162 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,0,0,0,0,0|4,0,0]=4 1163 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,0,0,0,0,0|4,0,0]=4 1164 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,0,0,0,0,0|4,0,0]=4 1165 B9R0.45 CCOCCNCCC#N 2230a_102516460346_100011215226 [0,0,0,0,0,0|3,0,1]=4 1166 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,0,0,0,0,0|3,0,1]=4 1167 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,0,0,0,0,0|3,0,1]=4 1168 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,0,0,0,0,0|3,0,1]=4 1169 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,0,0,0,0,0|3,0,1]=4 1170 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,0,0,0,0,0|2,0,2]=4 1171 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,0,0,0,0,0|2,0,2]=4 1172 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,0,0,0,0,0|4,0,0]=4 1173 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,0,0,0,0,0|4,0,0]=4 1174 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,0,0,0,0,0|4,0,0]=4 1175 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,0,0,0,0,0|4,0,0]=4 1176 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,0,0,0,0,0|4,0,0]=4 1177 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,0,0,0,0,0|4,0,0]=4 1178 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [0,0,0,0,0,0|3,0,1]=4 1179 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,0,0,0,0,0|3,0,1]=4 1180 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,0,0,0,0,0|3,0,1]=4 1181 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,0,0,0,0,0|3,0,1]=4 1182 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,0,0,0,0,0|3,0,1]=4 1183 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,0,0,0,0,0|3,0,1]=4 1184 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,0,0,0,0,0|3,0,1]=4 1185 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,0,0,0,0,0|2,0,2]=4 1186 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,0,0,0,0,0|2,0,2]=4 1187 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,0,0,0,0,0|4,0,0]=4 1188 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,0,0,0,0,0|4,0,0]=4 1189 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,0,0,0,0,0|4,0,0]=4 1190 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,0,0,0,0,0|4,0,0]=4 1191 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,0,0,0,0,0|4,0,0]=4 1192 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,0,0,0,0,0|4,0,0]=4 1193 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,0,0,0,0,0|4,0,0]=4 1194 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,0,0,0,0,0|4,0,0]=4 1195 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,0,0,0,0,0|4,0,0]=4 1196 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,0,0,0,0,0|4,0,0]=4 1197 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,0,0,0,0,0|4,0,0]=4 1198 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,0,0,0,0,0|4,0,0]=4 1199 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,0,0,0,0,0|4,0,0]=4 1200 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,0,0,0,0,0|4,0,0]=4 1201 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,0,0,0,0,0|4,0,0]=4 1202 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,0,0,0,0,0|4,0,0]=4 1203 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,0,0,0,0,0|4,0,0]=4 1204 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,0,0,0,0,0|4,0,0]=4 1205 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,0,0,0,0,0|4,0,0]=4 1206 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,0,0,0,0,0|4,0,0]=4 1207 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,0,0,0,0,0|4,0,0]=4 1208 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,0,0,0,0,0|4,0,0]=4 1209 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,0,0,0,0,0|4,0,0]=4 1210 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,0,0,0,0,0|4,0,0]=4 1211 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,0,0,0,0,0|4,0,0]=4 1212 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,0,0,0,0,0|4,0,0]=4 1213 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,0,0,0,0,0|4,0,0]=4 1214 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,0,0,0,0,0|4,0,0]=4 1215 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,0,0,0,0,0|3,0,1]=4 1216 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,0,0,0,0,0|3,0,1]=4 1217 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,0,0,0,0,0|3,0,1]=4 1218 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,0,0,0,0,0|3,0,1]=4 1219 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,0,0,0,0,0|2,0,2]=4 1220 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,0,0,0,0,0|2,0,2]=4 1221 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,0,0,0,0,0|4,0,0]=4 1222 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,0,0,0,0,0|4,0,0]=4 1223 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,0,0,0,0,0|4,0,0]=4 1224 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,0,0,0,0,0|4,0,0]=4 1225 B9R0.45 CCOCSCCCC#N 62a_100000687738_100000739092 [0,0,0,0,0,0|3,0,1]=4 1226 B9R0.45 CCOCSCCCC#N 62a_100000739092_100000687738 [0,0,0,0,0,0|3,0,1]=4 1227 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,0,0,0,0,0|2,0,0]=2 1228 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,0,0,0,0,0|2,0,0]=2 1229 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,0,0,0,0,0|3,0,1]=4 1230 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,0,0,0,0,0|3,0,1]=4 1231 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,0,0,0,0,0|2,0,2]=4 1232 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,0,0,0,0,0|2,0,2]=4 1233 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,0,0,0,0,0|4,0,0]=4 1234 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,0,0,0,0,0|4,0,0]=4 1235 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,0,0,0,0,0|2,0,1]=3 1236 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,0,0,0,0,0|2,0,1]=3 1237 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,0,0,0,0,0|1,0,0]=1 1238 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,0,0,0,0,0|1,0,0]=1 1239 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|2,0,1]=3 1240 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|2,0,1]=3 1241 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|1,0,2]=3 1242 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|1,0,2]=3 1243 B9R0.45 CCSCCCOCC#N 7a_100011216438_100011215382 [0,0,0,0,0,0|3,0,1]=4 1244 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,0,0,0,0,0|2,0,0]=2 1245 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,0,0,0,0,0|2,0,0]=2 1246 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,0,0,0,0,0|3,0,1]=4 1247 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,0,0,0,0,0|3,0,1]=4 1248 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,0,0,0,0,0|2,0,2]=4 1249 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,0,0,0,0,0|2,0,2]=4 1250 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,0,0,0,0,0|4,0,0]=4 1251 B9R0.45 CCSCCNCCC#N 2230a_100000106463_100011215226 [0,0,0,0,0,0|3,0,1]=4 1252 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,0,0,0,0,0|3,0,1]=4 1253 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,0,0,0,0,0|3,0,1]=4 1254 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,0,0,0,0,0|3,0,1]=4 1255 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,0,0,0,0,0|2,0,2]=4 1256 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,0,0,0,0,0|4,0,0]=4 1257 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,0,0,0,0,0|4,0,0]=4 1258 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,0,0,0,0,0|4,0,0]=4 1259 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,0,0,0,0,0|4,0,0]=4 1260 B9R0.45 CCSCCOCCC#N 7a_100000212035_100000184422 [0,0,0,0,0,0|3,0,1]=4 1261 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,0,0,0,0,0|3,0,1]=4 1262 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,0,0,0,0,0|3,0,1]=4 1263 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,0,0,0,0,0|3,0,1]=4 1264 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,0,0,0,0,0|3,0,1]=4 1265 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,0,0,0,0,0|3,0,1]=4 1266 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,0,0,0,0,0|3,0,1]=4 1267 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,0,0,0,0,0|2,0,2]=4 1268 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,0,0,0,0,0|2,0,2]=4 1269 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,0,0,0,0,0|4,0,0]=4 1270 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,0,0,0,0,0|4,0,0]=4 1271 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,0,0,0,0,0|4,0,0]=4 1272 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,0,0,0,0,0|4,0,0]=4 1273 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,0,0,0,0,0|4,0,0]=4 1274 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,0,0,0,0,0|4,0,0]=4 1275 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,0,0,0,0,0|4,0,0]=4 1276 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,0,0,0,0,0|4,0,0]=4 1277 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,0,0,0,0,0|4,0,0]=4 1278 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,0,0,0,0,0|4,0,0]=4 1279 B9R0.45 CCSCCSCCC#N 62a_100000757381_100011215226 [0,0,0,0,0,0|3,0,1]=4 1280 B9R0.45 CCSCCSCCC#N 62a_100011215226_100000757381 [0,0,0,0,0,0|3,0,1]=4 1281 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,0,0,0,0,0|3,0,1]=4 1282 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,0,0,0,0,0|3,0,1]=4 1283 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,0,0,0,0,0|2,0,2]=4 1284 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,0,0,0,0,0|2,0,2]=4 1285 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,0,0,0,0,0|4,0,0]=4 1286 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,0,0,0,0,0|4,0,0]=4 1287 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,0,0,0,0,0|4,0,0]=4 1288 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,0,0,0,0,0|4,0,0]=4 1289 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,0,0,0,0,0|2,0,1]=3 1290 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,0,0,0,0,0|2,0,1]=3 1291 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|1,0,2]=3 1292 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|1,0,2]=3 1293 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|1,0,2]=3 1294 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|1,0,2]=3 1295 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|1,0,2]=3 1296 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,0,0,0,0,0|3,0,0]=3 1297 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,0,0,0,0,0|3,0,0]=3 1298 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,0,0,0,0,0|3,0,0]=3 1299 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,0,0,0,0,0|3,0,1]=4 1300 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,0,0,0,0,0|3,0,1]=4 1301 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,0,0,0,0,0|2,0,2]=4 1302 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,0,0,0,0,0|2,0,2]=4 1303 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,0,0,0,0,0|2,0,2]=4 1304 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,0,0,0,0,0|4,0,0]=4 1305 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,0,0,0,0,0|4,0,0]=4 1306 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,0,0,0,0,0|4,0,0]=4 1307 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,0,0,0,0,0|4,0,0]=4 1308 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,0,0,0,0,0|4,0,0]=4 1309 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,0,0,0,0,0|4,0,0]=4 1310 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,0,0,0,0,0|4,0,0]=4 1311 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,0,0,0,0,0|2,0,1]=3 1312 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,0,0,0,0,0|2,0,1]=3 1313 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,0,0,0,0,0|2,0,1]=3 1314 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|1,0,2]=3 1315 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,0,0,0,0,0|3,0,0]=3 1316 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,0,0,0,0,0|3,0,0]=3 1317 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,0,0,0,0,0|3,0,0]=3 1318 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,0,0,0,0,0|3,0,0]=3 1319 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,0,0,0,0,0|3,0,0]=3 1320 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,0,0,0,0,0|3,0,0]=3 1321 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,0,0,0,0,0|3,0,0]=3 1322 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,0,0,0,0,0|3,0,0]=3 1323 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,0,0,0,0,0|3,0,0]=3 1324 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,0,0,0,0,0|3,0,1]=4 1325 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,0,0,0,0,0|3,0,1]=4 1326 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,0,0,0,0,0|2,0,2]=4 1327 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,0,0,0,0,0|2,0,2]=4 1328 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,0,0,0,0,0|2,0,0]=2 1329 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,0,0,0,0,0|3,0,1]=4 1330 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,0,0,0,0,0|3,0,1]=4 1331 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,0,0,0,0,0|3,0,1]=4 1332 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,0,0,0,0,0|2,0,2]=4 1333 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,0,0,0,0,0|4,0,0]=4 1334 B9R0.45 COCCCCSCC#N 62a_100000730899_100011215382 [0,0,0,0,0,0|3,0,1]=4 1335 B9R0.45 COCCCCSCC#N 62a_100011215382_100000730899 [0,0,0,0,0,0|3,0,1]=4 1336 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,0,0,0,0,0|2,0,0]=2 1337 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,0,0,0,0,0|2,0,0]=2 1338 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,0,0,0,0,0|3,0,1]=4 1339 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,0,0,0,0,0|3,0,1]=4 1340 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,0,0,0,0,0|2,0,2]=4 1341 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,0,0,0,0,0|2,0,2]=4 1342 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,0,0,0,0,0|4,0,0]=4 1343 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,0,0,0,0,0|4,0,0]=4 1344 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,0,0,0,0,0|4,0,0]=4 1345 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,0,0,0,0,0|4,0,0]=4 1346 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,0,0,0,0,0|3,0,1]=4 1347 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,0,0,0,0,0|3,0,1]=4 1348 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,0,0,0,0,0|3,0,1]=4 1349 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,0,0,0,0,0|2,0,2]=4 1350 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,0,0,0,0,0|4,0,0]=4 1351 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,0,0,0,0,0|4,0,0]=4 1352 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,0,0,0,0,0|4,0,0]=4 1353 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,0,0,0,0,0|4,0,0]=4 1354 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,0,0,0,0,0|3,0,1]=4 1355 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,0,0,0,0,0|3,0,1]=4 1356 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,0,0,0,0,0|3,0,1]=4 1357 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,0,0,0,0,0|3,0,1]=4 1358 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,0,0,0,0,0|3,0,1]=4 1359 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,0,0,0,0,0|3,0,1]=4 1360 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,0,0,0,0,0|2,0,2]=4 1361 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,0,0,0,0,0|4,0,0]=4 1362 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,0,0,0,0,0|4,0,0]=4 1363 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,0,0,0,0,0|4,0,0]=4 1364 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,0,0,0,0,0|4,0,0]=4 1365 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,0,0,0,0,0|4,0,0]=4 1366 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,0,0,0,0,0|4,0,0]=4 1367 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,0,0,0,0,0|4,0,0]=4 1368 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,0,0,0,0,0|3,0,1]=4 1369 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,0,0,0,0,0|3,0,1]=4 1370 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,0,0,0,0,0|3,0,1]=4 1371 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,0,0,0,0,0|3,0,1]=4 1372 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,0,0,0,0,0|2,0,2]=4 1373 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,0,0,0,0,0|2,0,2]=4 1374 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,0,0,0,0,0|4,0,0]=4 1375 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,0,0,0,0,0|4,0,0]=4 1376 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,0,0,0,0,0|4,0,0]=4 1377 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,0,0,0,0,0|4,0,0]=4 1378 B9R0.45 COCCNCCCC#N 2230a_100000209980_100000687738 [0,0,0,0,0,0|3,0,1]=4 1379 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,0,0,0,0,0|2,0,0]=2 1380 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,0,0,0,0,0|3,0,1]=4 1381 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,0,0,0,0,0|2,0,2]=4 1382 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,0,0,0,0,0|2,0,2]=4 1383 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,0,0,0,0,0|2,0,2]=4 1384 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,0,0,0,0,0|4,0,0]=4 1385 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,0,0,0,0,0|3,0,1]=4 1386 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,0,0,0,0,0|3,0,1]=4 1387 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,0,0,0,0,0|3,0,1]=4 1388 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,0,0,0,0,0|3,0,1]=4 1389 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,0,0,0,0,0|3,0,1]=4 1390 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,0,0,0,0,0|3,0,1]=4 1391 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,0,0,0,0,0|3,0,1]=4 1392 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,0,0,0,0,0|3,0,1]=4 1393 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,0,0,0,0,0|2,0,2]=4 1394 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,0,0,0,0,0|4,0,0]=4 1395 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,0,0,0,0,0|4,0,0]=4 1396 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,0,0,0,0,0|4,0,0]=4 1397 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,0,0,0,0,0|4,0,0]=4 1398 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,0,0,0,0,0|4,0,0]=4 1399 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,0,0,0,0,0|4,0,0]=4 1400 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,0,0,0,0,0|4,0,0]=4 1401 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,0,0,0,0,0|4,0,0]=4 1402 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,0,0,0,0,0|3,0,0]=3 1403 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,0,0,0,0,0|3,0,0]=3 1404 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,0,0,0,0,0|3,0,1]=4 1405 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,0,0,0,0,0|3,0,1]=4 1406 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,0,0,0,0,0|2,0,0]=2 1407 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,0,0,0,0,0|2,0,0]=2 1408 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,0,0,0,0,0|3,0,1]=4 1409 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,0,0,0,0,0|3,0,1]=4 1410 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,0,0,0,0,0|2,0,2]=4 1411 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,0,0,0,0,0|2,0,2]=4 1412 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,0,0,0,0,0|2,0,2]=4 1413 B9R0.45 COCSCCCCC#N 62a_100000766300_100000211819 [0,0,0,0,0,0|3,0,1]=4 1414 B9R0.45 COCSCCCCC#N 62a_100011219923_100000766300 [0,0,0,0,0,0|3,0,1]=4 1415 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,0,0,0,0,0|2,0,0]=2 1416 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,0,0,0,0,0|2,0,0]=2 1417 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,0,0,0,0,0|3,0,1]=4 1418 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,0,0,0,0,0|3,0,1]=4 1419 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,0,0,0,0,0|2,0,2]=4 1420 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,0,0,0,0,0|2,0,2]=4 1421 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,0,0,0,0,0|2,0,1]=3 1422 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,0,0,0,0,0|2,0,1]=3 1423 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|1,0,2]=3 1424 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|1,0,2]=3 1425 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [0,0,0,0,0,0|3,0,1]=4 1426 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,0,0,0,0,0|2,0,0]=2 1427 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,0,0,0,0,0|2,0,0]=2 1428 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,0,0,0,0,0|3,0,1]=4 1429 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,0,0,0,0,0|3,0,1]=4 1430 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,0,0,0,0,0|2,0,2]=4 1431 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,0,0,0,0,0|2,0,2]=4 1432 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,0,0,0,0,0|4,0,0]=4 1433 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [0,0,0,0,0,0|3,0,1]=4 1434 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,0,0,0,0,0|3,0,1]=4 1435 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,0,0,0,0,0|2,0,2]=4 1436 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,0,0,0,0,0|4,0,0]=4 1437 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,0,0,0,0,0|3,0,1]=4 1438 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,0,0,0,0,0|3,0,1]=4 1439 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,0,0,0,0,0|3,0,1]=4 1440 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,0,0,0,0,0|2,0,2]=4 1441 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,0,0,0,0,0|2,0,2]=4 1442 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,0,0,0,0,0|4,0,0]=4 1443 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,0,0,0,0,0|4,0,0]=4 1444 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [0,0,0,0,0,0|3,0,1]=4 1445 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,0,0,0,0,0|2,0,0]=2 1446 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,0,0,0,0,0|3,0,1]=4 1447 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,0,0,0,0,0|2,0,2]=4 1448 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,0,0,0,0,0|2,0,2]=4 1449 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,0,0,0,0,0|2,0,2]=4 1450 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,0,0,0,0,0|3,0,1]=4 1451 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,0,0,0,0,0|2,0,0]=2 1452 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,0,0,0,0,0|3,0,1]=4 1453 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,0,0,0,0,0|3,0,1]=4 1454 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,0,0,0,0,0|3,0,1]=4 1455 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,0,0,0,0,0|3,0,1]=4 1456 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,0,0,0,0,0|3,0,1]=4 1457 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,0,0,0,0,0|3,0,1]=4 1458 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,0,0,0,0,0|3,0,1]=4 1459 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,0,0,0,0,0|3,0,1]=4 1460 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,0,0,0,0,0|3,0,1]=4 1461 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,0,0,0,0,0|2,0,2]=4 1462 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,0,0,0,0,0|2,0,2]=4 1463 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,0,0,0,0,0|3,0,1]=4 1464 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,0,0,0,0,0|3,0,1]=4 1465 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,0,0,0,0,0|2,0,0]=2 1466 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,0,0,0,0,0|2,0,0]=2 1467 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,0,0,0,0,0|3,0,1]=4 1468 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,0,0,0,0,0|3,0,1]=4 1469 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,0,0,0,0,0|2,0,2]=4 1470 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,0,0,0,0,0|2,0,2]=4 1471 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,0,0,0,0,0|2,0,2]=4 1472 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,0,0,0,0,0|2,0,2]=4 1473 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,0,0,0,0,0|3,0,1]=4 1474 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,0,0,0,0,0|3,0,1]=4 1475 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,0,0,0,0,0|3,0,1]=4 1476 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,0,0,0,0,0|3,0,1]=4 1477 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [0,0,0,0,0,0|3,0,1]=4 1478 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [0,0,0,0,0,0|3,0,1]=4 1479 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,0,0,0,0,0|2,0,0]=2 1480 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,0,0,0,0,0|2,0,0]=2 1481 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,0,0,0,0,0|3,0,1]=4 1482 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,0,0,0,0,0|3,0,1]=4 1483 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,0,0,0,0,0|2,0,2]=4 1484 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,0,0,0,0,0|2,0,2]=4 1485 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,0,0,0,0,0|3,0,1]=4 1486 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,0,0,0,0,0|3,0,1]=4 1487 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,0,0,0,0,0|3,0,1]=4 1488 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,0,0,0,0,0|3,0,1]=4 1489 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,0,0,0,0,0|3,0,1]=4 1490 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,0,0,0,0,0|3,0,1]=4 1491 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,0,0,0,0,0|3,0,1]=4 1492 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,0,0,0,0,0|3,0,1]=4 1493 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,0,0,0,0,0|3,0,1]=4 1494 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,0,0,0,0,0|3,0,1]=4 1495 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,0,0,0,0,0|3,0,1]=4 1496 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,0,0,0,0,0|3,0,1]=4 1497 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,0,0,0,0,0|3,0,1]=4 1498 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,0,0,0,0,0|3,0,1]=4 1499 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,0,0,0,0,0|3,0,1]=4 1500 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,0,0,0,0,0|3,0,1]=4 1501 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,0,0,0,0,0|3,0,1]=4 1502 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,0,0,0,0,0|3,0,1]=4 1503 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,0,0,0,0,0|3,0,1]=4 1504 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,0,0,0,0,0|3,0,1]=4 1505 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,0,0,0,0,0|3,0,1]=4 1506 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,0,0,0,0,0|3,0,1]=4 1507 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,0,0,0,0,0|3,0,1]=4 1508 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,0,0,0,0,0|3,0,1]=4 1509 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,0,0,0,0,0|3,0,1]=4 1510 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,0,0,0,0,0|3,0,1]=4 1511 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,0,0,0,0,0|3,0,1]=4 1512 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,0,0,0,0,0|3,0,1]=4 1513 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,0,0,0,0,0|3,0,1]=4 1514 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 1515 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 1516 B9R0.45 N#CCCCCCSCF 62a_100009813376_100015361967 [0,0,0,0,0,0|3,0,1]=4 1517 B9R0.45 N#CCCCCCSCF 62a_100015361967_100009813376 [0,0,0,0,0,0|3,0,1]=4 1518 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,0,0,0,0,0|3,0,1]=4 1519 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [0,0,0,0,0,0|2,0,1]=3 1520 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [0,0,0,0,0,0|2,0,1]=3 1521 B9R0.45 N#CCCCCSCCF 62a_100011217306_100000211819 [0,0,0,0,0,0|3,0,1]=4 1522 B9R0.45 N#CCCCCSCCF 62a_100011219923_100011217306 [0,0,0,0,0,0|3,0,1]=4 1523 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,0,0,0,0,0|3,0,1]=4 1524 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,0,0,0,0,0|3,0,1]=4 1525 B9R0.45 N#CCCCNCCCF 2230a_100015189416_100000687738 [0,0,0,0,0,0|3,0,1]=4 1526 B9R0.45 N#CCCCSCCCF 62a_100000687738_100011934791 [0,0,0,0,0,0|3,0,1]=4 1527 B9R0.45 N#CCCCSCCCF 62a_100011934791_100000687738 [0,0,0,0,0,0|3,0,1]=4 1528 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,0,0,0,0,0|3,0,1]=4 1529 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,0,0,0,0,0|3,0,1]=4 1530 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [0,0,0,0,0,0|3,0,1]=4 1531 B9R0.45 N#CCCOCCCCCl 7a_100000210776_100000184422 [0,0,0,0,0,0|3,0,1]=4 1532 B9R0.45 N#CCCOCCCCF 7a_100011995726_100000184422 [0,0,0,0,0,0|3,0,1]=4 1533 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [0,0,0,0,0,0|2,0,1]=3 1534 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [0,0,0,0,0,0|2,0,1]=3 1535 B9R0.45 N#CCCSCCCCF 62a_100000729493_100011215226 [0,0,0,0,0,0|3,0,1]=4 1536 B9R0.45 N#CCCSCCCCF 62a_100011215226_100000729493 [0,0,0,0,0,0|3,0,1]=4 1537 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,0,0,0,0,0|3,0,1]=4 1538 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,0,0,0,0,0|3,0,1]=4 1539 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [0,0,0,0,0,0|3,0,1]=4 1540 B9R0.45 N#CCOCCCCCBr 7a_100000746331_100011215382 [0,0,0,0,0,0|3,0,1]=4 1541 B9R0.45 N#CCOCCCCCCl 7a_100000746330_100011215382 [0,0,0,0,0,0|3,0,1]=4 1542 B9R0.45 N#CCOCCCCCI 7a_200012148887_100011215382 [0,0,0,0,0,0|3,0,1]=4 1543 B9R0.45 N#CCOCCSCC=O 62a_200000047693_200015260668 [0,0,0,0,0,0|3,0,1]=4 1544 B9R0.45 N#CCOCCSCC=O 62a_200015260668_200000047693 [0,0,0,0,0,0|3,0,1]=4 1545 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [0,0,0,0,0,0|2,0,1]=3 1546 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [0,0,0,0,0,0|2,0,1]=3 1547 B9R0.45 N#CCSCCCCCF 62a_100000729378_100011215382 [0,0,0,0,0,0|3,0,1]=4 1548 B9R0.45 N#CCSCCCCCF 62a_100011215382_100000729378 [0,0,0,0,0,0|3,0,1]=4 1549 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [0,0,0,0,0,0|3,0,1]=4 1550 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [0,0,0,0,0,0|3,0,1]=4 1551 B9R0.45 N#CSCSCCCC=O 62a_100000211825_200011292268 [0,0,0,0,0,0|3,0,1]=4 1552 B9R0.45 N#CSCSCCCC=O 62a_200011292268_100000211825 [0,0,0,0,0,0|3,0,1]=4 1553 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,0,0,0,0,0|3,0,1]=4 1554 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,0]=2 1555 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|3,0,1]=4 1556 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,2]=4 1557 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|3,0,1]=4 1558 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,2]=4 1559 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,0,0,0,0,0|3,0,1]=4 1560 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,0,0,0,0,0|2,0,2]=4 1561 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,0,0,0,0,0|3,0,1]=4 1562 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,0,0,0,0,0|2,0,2]=4 1563 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,0,0,0,0,0|3,0,0]=3 1564 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,0,0,0,0,0|4,0,0]=4 1565 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,0,0,0,0,0|4,0,0]=4 1566 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,0,0,0,0,0|2,0,0]=2 1567 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,0,0,0,0,0|2,0,0]=2 1568 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,0,0,0,0,0|2,0,0]=2 1569 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [0,0,0,0,0,0|2,0,1]=3 1570 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [0,0,0,0,0,0|2,0,1]=3 1571 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,0,0,0,0,0|2,0,0]=2 1572 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,0,0,0,0,0|2,0,0]=2 1573 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,0,0,0,0,0|2,0,0]=2 1574 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,0,0,0,0,0|2,0,0]=2 1575 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,0,0,0,0,0|2,0,0]=2 1576 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,0,0,0,0,0|2,0,0]=2 1577 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,0,0,0,0,0|2,0,0]=2 1578 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,0,0,0,0,0|2,0,0]=2 1579 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,0,0,0,0,0|2,0,0]=2 1580 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,0,0,0,0,0|2,0,0]=2 1581 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,0]=2 1582 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,0,0,0,0,0|3,0,0]=3 1583 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,0,0,0,0,0|3,0,0]=3 1584 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,0,0,0,0,0|3,0,0]=3 1585 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,0,0,0,0,0|2,0,0]=2 1586 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,0,0,0,0,0|2,0,0]=2 1587 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,0,0,0,0,0|2,0,0]=2 1588 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,0,0,0,0,0|2,0,0]=2 1589 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,0,0,0,0,0|2,0,0]=2 1590 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,0,0,0,0,0|2,0,0]=2 1591 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,0,0,0,0,0|3,0,0]=3 1592 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,0,0,0,0,0|3,0,0]=3 1593 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,0,0,0,0,0|3,0,0]=3 1594 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,0,0,0,0,0|3,0,0]=3 1595 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,0,0,0,0,0|3,0,0]=3 1596 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,0,0,0,0,0|3,0,0]=3 1597 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,0,0,0,0,0|3,0,0]=3 1598 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,0,0,0,0,0|3,0,0]=3 1599 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,0,0,0,0,0|2,0,0]=2 1600 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,0,0,0,0,0|2,0,0]=2 1601 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,0,0,0,0,0|2,0,0]=2 1602 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,0,0,0,0,0|2,0,0]=2 1603 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,0,0,0,0,0|3,0,0]=3 1604 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,0,0,0,0,0|3,0,0]=3 1605 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|2,0,2]=4 1606 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|2,0,2]=4 1607 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|2,0,2]=4 1608 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,0,0,0,0,0|2,0,2]=4 1609 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,0,0,0,0,0|2,0,2]=4 1610 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|2,0,2]=4 1611 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,0,0,0,0,0|2,0,2]=4 1612 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,0,0,0,0,0|2,0,2]=4 1613 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,2]=4 1614 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,0,0,0,0,0|2,0,2]=4 1615 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,0,0,0,0,0|2,0,2]=4 1616 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,0,0,0,0,0|2,0,2]=4 1617 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,0,0,0,0,0|2,0,2]=4 1618 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,0,0,0,0,0|2,0,2]=4 1619 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,0,0,0,0,0|2,0,2]=4 1620 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,0,0,0,0,0|2,0,2]=4 1621 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,0,0,0,0,0|2,0,2]=4 1622 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|2,0,2]=4 1623 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,0,0,0,0,0|2,0,2]=4 1624 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,0,0,0,0,0|2,0,2]=4 1625 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,2]=4 1626 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,0,0,0,0,0|2,0,2]=4 1627 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,0,0,0,0,0|2,0,2]=4 1628 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,0,0,0,0,0|2,0,2]=4 1629 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,0,0,0,0,0|2,0,2]=4 1630 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,0,0,0,0,0|2,0,2]=4 1631 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,0,0,0,0,0|2,0,2]=4 1632 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,0,0,0,0,0|2,0,2]=4 1633 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,0,0,0,0,0|2,0,2]=4 1634 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,0,0,0,0,0|2,0,2]=4 1635 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,0,0,0,0,0|2,0,2]=4 1636 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,0,0,0,0,0|2,0,2]=4 1637 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,0,0,0,0,0|2,0,2]=4 1638 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,0,0,0,0,0|2,0,2]=4 1639 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,0,0,0,0,0|2,0,2]=4 1640 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,0,0,0,0,0|2,0,2]=4 1641 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,0,0,0,0,0|2,0,2]=4 1642 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,0,0,0,0,0|2,0,2]=4 1643 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,0,0,0,0,0|2,0,2]=4 1644 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,0,0,0,0,0|2,0,2]=4 1645 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,0,0,0,0,0|2,0,2]=4 1646 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,0,0,0,0,0|2,0,2]=4 1647 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,0,0,0,0,0|2,0,2]=4 1648 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,0,0,0,0,0|2,0,2]=4 1649 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,0,0,0,0,0|2,0,2]=4 1650 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,0,0,0,0,0|2,0,2]=4 1651 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|1,0,2]=3 1652 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|1,0,2]=3 1653 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,0,0,0,0,0|2,0,2]=4 1654 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,0,0,0,0,0|2,0,2]=4 1655 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,0,0,0,0,0|2,0,1]=3 1656 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,0,0,0,0,0|2,0,1]=3 1657 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,0,0,0,0,0|2,0,1]=3 1658 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,0,0,0,0,0|3,0,1]=4 1659 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,0,0,0,0,0|2,0,1]=3 1660 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,0,0,0,0,0|2,0,1]=3 1661 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|1,0,2]=3 1662 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|1,0,2]=3 1663 B9R0.45 [N-]=[N+]=NCCCNCC=O 2230a_100000744732_200015260668 [0,0,0,0,0,0|4,0,0]=4 1664 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1665 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|1,0,2]=4 1666 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1667 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1668 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|1,0,2]=4 1669 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1670 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1671 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1672 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|1,0,2]=4 1673 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|1,0,2]=4 1674 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|1,0,2]=4 1675 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|1,0,2]=4 1676 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1677 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|1,0,2]=4 1678 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1679 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1680 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|1,0,2]=4 1681 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1682 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|1,0,2]=4 1683 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|1,0,2]=4 1684 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,0,0,0,0,0|1,0,2]=4 1685 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|1,0,2]=4 1686 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,0,0,0,0,0|1,0,2]=4 1687 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,0,0,0,0,0|1,0,2]=4 1688 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|1,0,2]=4 1689 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|1,0,2]=4 1690 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|1,0,2]=4 1691 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,0,0,0,0,0|1,0,2]=4 1692 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,0,0,0,0,0|1,0,2]=4 1693 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|1,0,2]=4 1694 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|1,0,2]=4 1695 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|1,0,2]=4 1696 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|1,0,2]=4 1697 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|1,0,2]=4 1698 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|1,0,2]=4 1699 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|1,0,2]=4 1700 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|1,0,2]=4 1701 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|1,0,2]=4 1702 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|1,0,2]=4 1703 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|1,0,2]=4 1704 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|1,0,2]=4 1705 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|1,0,2]=4 1706 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|1,0,2]=4 1707 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|1,0,2]=4 1708 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,0,0,0,0,0|1,0,2]=4 1709 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|1,0,2]=4 1710 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,0,0,0,0,0|1,0,2]=4 1711 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 1712 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,1]=4 1713 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 1714 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,1]=4 1715 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 1716 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,1]=4 1717 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,1]=4 1718 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|1,0,1]=3 1719 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|1,0,1]=3 1720 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|1,0,1]=3 1721 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|1,0,1]=3 1722 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|1,0,1]=3 1723 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|1,0,1]=3 1724 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|1,0,1]=3 1725 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|1,0,1]=3 1726 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|1,0,1]=3 1727 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|1,0,1]=3 1728 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|1,0,1]=3 1729 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|1,0,1]=3 1730 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,1]=3 1731 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,1]=3 1732 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,1]=3 1733 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,0,0,0,0,0|2,0,1]=4 1734 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|1,0,1]=3 1735 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|1,0,1]=3 1736 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|1,0,1]=3 1737 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,0,0,0,0,0|2,0,1]=4 1738 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,0,0,0,0,0|2,0,1]=4 1739 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|1,0,1]=3 1740 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|1,0,1]=3 1741 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,0,0,0,0,0|2,0,1]=4 1742 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,0,0,0,0,0|2,0,1]=4 1743 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,0,0,0,0,0|1,0,2]=4 1744 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,0,0,0,0,0|1,0,2]=4 1745 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|1,0,1]=3 1746 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|1,0,1]=3 1747 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,0,0,0,0,0|2,0,1]=4 1748 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,0,0,0,0,0|2,0,1]=4 1749 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,0,0,0,0,0|2,0,1]=4 1750 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1751 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|2,0,1]=4 1752 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1753 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|2,0,1]=4 1754 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,0,0,0,0,0|2,0,1]=4 1755 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,0,0,0,0,0|2,0,1]=4 1756 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,0,0,0,0,0|2,0,1]=4 1757 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,0,0,0,0,0|1,0,2]=4 1758 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,0,0,0,0,0|1,0,2]=4 1759 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|2,0,1]=4 1760 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|1,0,1]=3 1761 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|1,0,1]=3 1762 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|1,0,1]=3 1763 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|2,0,1]=4 1764 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|2,0,1]=4 1765 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|2,0,1]=4 1766 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|2,0,1]=4 1767 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|2,0,1]=4 1768 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,0,0,0,0,0|2,0,1]=4 1769 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,0,0,0,0,0|1,0,2]=4 1770 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,0,0,0,0,0|1,0,2]=4 1771 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|1,0,1]=3 1772 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|1,0,1]=3 1773 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,0,0,0,0,0|2,0,1]=4 1774 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,0,0,0,0,0|2,0,1]=4 1775 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|2,0,1]=4 1776 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|2,0,1]=4 1777 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,0,0,0,0,0|2,0,1]=4 1778 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,0,0,0,0,0|2,0,1]=4 1779 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,0,0,0,0,0|2,0,1]=4 1780 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,0,0,0,0,0|2,0,1]=4 1781 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|1,0,1]=3 1782 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|1,0,1]=3 1783 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|1,0,1]=3 1784 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,0,0,0,0,0|2,0,1]=4 1785 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,0,0,0,0,0|2,0,1]=4 1786 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,0,0,0,0,0|2,0,1]=4 1787 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|2,0,1]=4 1788 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,0,0,0,0,0|2,0,1]=4 1789 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,0,0,0,0,0|2,0,1]=4 1790 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,0,0,0,0,0|2,0,1]=4 1791 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,0,0,0,0,0|2,0,1]=4 1792 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,0,0,0,0,0|2,0,1]=4 1793 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|1,0,1]=3 1794 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|1,0,1]=3 1795 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|1,0,1]=3 1796 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,0,0,0,0,0|2,0,1]=4 1797 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,0,0,0,0,0|2,0,1]=4 1798 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,0,0,0,0,0|2,0,1]=4 1799 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,0,0,0,0,0|2,0,1]=4 1800 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|2,0,1]=4 1801 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,0,0,0,0,0|2,0,1]=4 1802 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,0,0,0,0,0|2,0,1]=4 1803 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,0,0,0,0,0|2,0,1]=4 1804 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,0,0,0,0,0|2,0,1]=4 1805 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,0,0,0,0,0|2,0,1]=4 1806 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|1,0,1]=3 1807 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|1,0,1]=3 1808 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,0,0,0,0,0|2,0,1]=4 1809 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,0,0,0,0,0|2,0,1]=4 1810 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|2,0,1]=4 1811 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|2,0,1]=4 1812 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,0,0,0,0,0|2,0,1]=4 1813 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,0,0,0,0,0|2,0,1]=4 1814 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,0,0,0,0,0|2,0,1]=4 1815 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,0,0,0,0,0|2,0,1]=4 1816 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,0,0,0,0,0|2,0,1]=4 1817 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,0,0,0,0,0|2,0,1]=4 1818 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,0,0,0,0,0|1,0,2]=4 1819 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|1,0,1]=3 1820 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|1,0,1]=3 1821 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,0,0,0,0,0|2,0,1]=4 1822 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|2,0,1]=4 1823 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|2,0,1]=4 1824 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|2,0,1]=4 1825 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,0,0,0,0,0|2,0,1]=4 1826 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,0,0,0,0,0|2,0,1]=4 1827 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,0,0,0,0,0|2,0,1]=4 1828 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|2,0,1]=4 1829 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|2,0,1]=4 1830 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|2,0,1]=4 1831 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,0,0,0,0,0|2,0,1]=4 1832 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,0,0,0,0,0|2,0,1]=4 1833 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,0,0,0,0|2,0,1]=4 1834 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|1,0,1]=3 1835 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|1,0,1]=3 1836 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|1,0,1]=3 1837 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,0,0,0,0|2,0,1]=4 1838 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,0,0,0,0|2,0,1]=4 1839 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,0,0,0,0|2,0,1]=4 1840 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,0,0,0,0|2,0,1]=4 1841 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,0,0,0,0|2,0,1]=4 1842 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,0,0,0,0|2,0,1]=4 1843 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,0,0,0,0|2,0,1]=4 1844 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|2,0,1]=4 1845 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,0,0,0,0,0|2,0,1]=4 1846 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,0,0,0,0,0|2,0,1]=4 1847 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,0,0,0,0,0|2,0,1]=4 1848 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,0,0,0,0,0|2,0,1]=4 1849 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,0,0,0,0,0|2,0,1]=4 1850 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|2,0,1]=4 1851 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|2,0,1]=4 1852 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|2,0,1]=4 1853 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|2,0,1]=4 1854 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|2,0,1]=4 1855 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|2,0,1]=4 1856 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|2,0,1]=4 1857 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|2,0,1]=4 1858 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,0,0,0,0,0|1,0,2]=4 1859 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,0,0,0,0,0|1,0,2]=4 1860 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|1,0,1]=3 1861 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|1,0,1]=3 1862 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,0,0,0,0,0|2,0,1]=4 1863 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,0,0,0,0,0|2,0,1]=4 1864 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|2,0,1]=4 1865 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|2,0,1]=4 1866 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,0,0,0,0,0|2,0,1]=4 1867 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,0,0,0,0,0|2,0,1]=4 1868 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|2,0,1]=4 1869 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|2,0,1]=4 1870 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,0,0,0,0,0|2,0,1]=4 1871 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,0,0,0,0,0|2,0,1]=4 1872 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,0,0,0,0,0|2,0,1]=4 1873 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,0,0,0,0,0|2,0,1]=4 1874 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,0,0,0,0,0|2,0,1]=4 1875 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,0,0,0,0,0|2,0,1]=4 1876 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|2,0,1]=4 1877 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|2,0,1]=4 1878 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|2,0,1]=4 1879 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|2,0,1]=4 1880 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|2,0,1]=4 1881 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|2,0,1]=4 1882 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,0,0,0,0,0|1,0,2]=4 1883 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|1,0,2]=4 1884 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|1,0,2]=4 1885 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|1,0,2]=4 1886 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|2,0,1]=4 1887 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,1]=4 1888 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,1]=4 1889 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 1890 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 1891 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1892 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,1]=4 1893 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|3,0,0]=4 1894 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [1,0,0,0,0,0|1,0,2]=4 1895 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [1,0,0,0,0,0|1,0,2]=4 1896 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [1,0,0,0,0,0|1,0,2]=4 1897 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,1]=3 1898 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,1]=3 1899 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,1]=3 1900 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,1]=3 1901 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,1]=3 1902 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,1]=3 1903 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,1]=3 1904 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,1]=3 1905 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,1]=3 1906 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,1]=3 1907 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,1]=3 1908 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,1]=3 1909 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,1]=3 1910 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,1]=3 1911 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,1]=3 1912 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,1]=3 1913 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,1]=3 1914 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,1]=3 1915 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,1]=3 1916 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1917 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1918 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,1]=3 1919 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,1]=3 1920 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,0]=3 1921 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,0]=3 1922 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 1923 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,0]=2 1924 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,1]=3 1925 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,0]=3 1926 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,0]=3 1927 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,1]=3 1928 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,1]=3 1929 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,1]=3 1930 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,1]=4 1931 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,1]=4 1932 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 1933 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,0]=2 1934 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,0]=2 1935 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,0]=3 1936 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 1937 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,1]=3 1938 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 1939 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1940 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1941 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,0]=3 1942 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,1]=3 1943 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,1]=3 1944 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,1]=4 1945 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 1946 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 1947 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,0]=2 1948 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,0]=2 1949 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,1]=3 1950 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,1]=3 1951 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,0]=3 1952 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,0]=3 1953 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,1]=3 1954 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,1]=3 1955 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,1]=4 1956 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,1]=4 1957 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,1]=4 1958 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,1]=4 1959 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 1960 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 1961 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,1]=3 1962 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,1]=3 1963 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,0]=3 1964 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,0]=3 1965 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,0]=3 1966 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,0]=3 1967 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,1]=3 1968 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,1]=3 1969 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|2,0,1]=4 1970 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|2,0,1]=4 1971 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|2,0,1]=4 1972 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|2,0,1]=4 1973 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|2,0,1]=4 1974 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|2,0,1]=4 1975 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|2,0,1]=4 1976 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,0]=3 1977 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|1,0,1]=3 1978 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|1,0,1]=3 1979 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,0]=3 1980 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 1981 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,0]=3 1982 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 1983 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,0]=3 1984 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,1]=3 1985 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,1]=3 1986 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|2,0,1]=4 1987 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|2,0,1]=4 1988 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|2,0,1]=4 1989 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|2,0,1]=4 1990 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|2,0,1]=4 1991 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|2,0,1]=4 1992 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|2,0,1]=4 1993 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|2,0,1]=4 1994 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|2,0,1]=4 1995 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|3,0,0]=4 1996 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1997 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1998 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|2,0,1]=4 1999 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|2,0,1]=4 2000 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|2,0,1]=4 2001 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|2,0,1]=4 2002 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|2,0,1]=4 2003 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|2,0,1]=4 2004 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|2,0,1]=4 2005 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|2,0,1]=4 2006 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,1]=4 2007 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|2,0,1]=4 2008 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|2,0,1]=4 2009 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|2,0,1]=4 2010 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,0,0,0,0,0|3,0,0]=4 2011 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,0,0,0,0,0|3,0,0]=4 2012 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|2,0,1]=4 2013 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|2,0,1]=4 2014 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|1,0,1]=3 2015 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,0]=3 2016 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,0]=3 2017 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,1]=3 2018 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,1]=3 2019 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|2,0,1]=4 2020 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|2,0,1]=4 2021 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|2,0,1]=4 2022 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|2,0,1]=4 2023 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|2,0,1]=4 2024 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|2,0,1]=4 2025 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|2,0,1]=4 2026 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|2,0,1]=4 2027 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|2,0,1]=4 2028 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|2,0,1]=4 2029 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|2,0,1]=4 2030 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|2,0,1]=4 2031 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 2032 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 2033 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,1]=4 2034 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,1]=4 2035 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,1]=4 2036 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,1]=4 2037 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,1]=4 2038 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,0]=3 2039 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 2040 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 2041 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,0]=3 2042 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 2043 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 2044 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,0]=3 2045 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 2046 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,1]=3 2047 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 2048 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|2,0,1]=4 2049 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 2050 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 2051 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 2052 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,1]=4 2053 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,1]=4 2054 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 2055 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 2056 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,1]=4 2057 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 2058 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 2059 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|3,0,0]=4 2060 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|2,0,1]=4 2061 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|2,0,1]=4 2062 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|2,0,1]=4 2063 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|2,0,1]=4 2064 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|2,0,1]=4 2065 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|2,0,1]=4 2066 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 2067 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 2068 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|2,0,1]=4 2069 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|2,0,1]=4 2070 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|2,0,1]=4 2071 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|2,0,1]=4 2072 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|2,0,1]=4 2073 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|3,0,0]=4 2074 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|3,0,0]=4 2075 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|2,0,1]=4 2076 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|2,0,1]=4 2077 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,0]=2 2078 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,0]=2 2079 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,0]=3 2080 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,0]=3 2081 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,1]=3 2082 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,1]=3 2083 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,1]=4 2084 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,1]=4 2085 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,1]=4 2086 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|2,0,1]=4 2087 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|2,0,1]=4 2088 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|2,0,1]=4 2089 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|2,0,1]=4 2090 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 2091 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 2092 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|2,0,1]=4 2093 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|2,0,1]=4 2094 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 2095 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,0]=2 2096 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 2097 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 2098 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,1]=3 2099 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 2100 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,1]=4 2101 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 2102 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,1]=4 2103 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 2104 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,1]=4 2105 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,1]=4 2106 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,1]=4 2107 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,1]=4 2108 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 2109 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 2110 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 2111 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 2112 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 2113 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 2114 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 2115 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 2116 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,1]=3 2117 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,1]=4 2118 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,1]=4 2119 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 2120 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 2121 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 2122 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,1]=4 2123 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,1]=4 2124 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,1]=4 2125 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 2126 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 2127 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,1]=4 2128 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,1]=4 2129 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,1]=4 2130 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,1]=4 2131 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 2132 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 2133 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|2,0,0]=3 2134 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|2,0,0]=3 2135 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 2136 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 2137 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 2138 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,1]=4 2139 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,1]=4 2140 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,1]=4 2141 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,1]=4 2142 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,0]=3 2143 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,0]=3 2144 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 2145 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 2146 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 2147 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 2148 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 2149 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 2150 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 2151 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 2152 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 2153 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 2154 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 2155 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 2156 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 2157 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,1]=4 2158 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,1]=4 2159 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,1]=4 2160 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|2,0,0]=3 2161 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|2,0,0]=3 2162 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 2163 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 2164 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,1]=4 2165 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,1]=4 2166 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 2167 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 2168 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,1]=4 2169 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,1]=4 2170 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 2171 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 2172 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,0]=2 2173 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,0]=2 2174 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 2175 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 2176 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,1]=3 2177 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,1]=3 2178 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,1]=4 2179 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,1]=4 2180 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 2181 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 2182 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,0,0,0,0|2,0,0]=3 2183 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 2184 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 2185 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,1]=4 2186 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,1]=4 2187 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,1]=4 2188 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|2,0,0]=3 2189 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|2,0,0]=3 2190 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 2191 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 2192 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 2193 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 2194 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,1]=4 2195 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,1]=4 2196 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,1]=4 2197 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,1]=4 2198 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,0,0,0,0|2,0,0]=3 2199 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,0,0,0,0|2,0,0]=3 2200 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 2201 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 2202 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,1]=4 2203 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,1]=4 2204 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 2205 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 2206 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,0]=2 2207 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,0]=2 2208 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 2209 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,0]=3 2210 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 2211 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 2212 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 2213 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 2214 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,1]=3 2215 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 2216 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|2,0,1]=4 2217 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|2,0,1]=4 2218 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|2,0,1]=4 2219 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|2,0,1]=4 2220 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,0]=3 2221 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|3,0,0]=4 2222 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,1]=4 2223 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 2224 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 2225 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2226 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2227 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 2228 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,0]=3 2229 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 2230 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 2231 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,1]=3 2232 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|2,0,1]=4 2233 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|2,0,1]=4 2234 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|3,0,0]=4 2235 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,0,0,0,0,0|3,0,0]=4 2236 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,0,0,0,0,0|3,0,0]=4 2237 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,0,0,0,0|2,0,0]=3 2238 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,0,0,0,0,0|3,0,0]=4 2239 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,0,0,0,0,0|3,0,0]=4 2240 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,1]=4 2241 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,1]=4 2242 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,1]=4 2243 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,0]=3 2244 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|3,0,0]=4 2245 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|3,0,0]=4 2246 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|3,0,0]=4 2247 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,1]=4 2248 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,0,0,0,0|2,0,0]=3 2249 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,0,0,0,0|2,0,0]=3 2250 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,0,0,0,0,0|3,0,0]=4 2251 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,0,0,0,0,0|3,0,0]=4 2252 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,1]=4 2253 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,1]=4 2254 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,0,0,0,0,0|3,0,0]=4 2255 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 2256 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 2257 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,1]=4 2258 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,0,0,0,0,0|3,0,0]=4 2259 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,0,0,0,0,0|3,0,0]=4 2260 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,0,0,0,0,0|3,0,0]=4 2261 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,0,0,0,0,0|3,0,0]=4 2262 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,0,0,0,0,0|3,0,0]=4 2263 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,1]=4 2264 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,0,0,0,0,0|3,0,0]=4 2265 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,0,0,0,0,0|3,0,0]=4 2266 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,1]=4 2267 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,1]=4 2268 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,1]=4 2269 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,0,0,0,0|2,0,0]=3 2270 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,0,0,0,0|2,0,0]=3 2271 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,0,0,0,0,0|3,0,0]=4 2272 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,0,0,0,0,0|3,0,0]=4 2273 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,1]=4 2274 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,1]=4 2275 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 2276 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 2277 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,0]=2 2278 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,0]=2 2279 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,0]=3 2280 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,0]=3 2281 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,1]=3 2282 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,1]=3 2283 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 2284 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 2285 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,0,0,0,0|2,0,0]=3 2286 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2287 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2288 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,0]=3 2289 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,0]=3 2290 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 2291 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 2292 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,1]=4 2293 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,1]=4 2294 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,0,0,0,0,0|3,0,0]=4 2295 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,0,0,0,0,0|3,0,0]=4 2296 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,0,0,0,0,0|3,0,0]=4 2297 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,1]=4 2298 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,0,0,0,0,0|3,0,0]=4 2299 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,0,0,0,0,0|3,0,0]=4 2300 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 2301 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,0,0,0,0,0|3,0,0]=4 2302 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 2303 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,0,0,0,0,0|3,0,0]=4 2304 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,1]=4 2305 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,1]=4 2306 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,0,0,0,0,0|3,0,0]=4 2307 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,0,0,0,0,0|3,0,0]=4 2308 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,1]=4 2309 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,1]=4 2310 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 2311 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 2312 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,0,0,0,0,0|3,0,0]=4 2313 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,0,0,0,0,0|3,0,0]=4 2314 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,0,0,0,0,0|3,0,0]=4 2315 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,0,0,0,0,0|3,0,0]=4 2316 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 2317 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,0,0,0,0|2,0,0]=3 2318 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,0,0,0,0|2,0,0]=3 2319 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,0,0,0,0,0|3,0,0]=4 2320 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,0,0,0,0,0|3,0,0]=4 2321 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,1]=4 2322 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,1]=4 2323 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 2324 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 2325 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 2326 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|3,0,0]=4 2327 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 2328 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 2329 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|3,0,0]=4 2330 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|3,0,0]=4 2331 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 2332 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 2333 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,0,0,0,0,0|3,0,0]=4 2334 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,0,0,0,0,0|3,0,0]=4 2335 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,0,0,0,0,0|3,0,0]=4 2336 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,0,0,0,0,0|3,0,0]=4 2337 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|3,0,0]=4 2338 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 2339 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 2340 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|3,0,0]=4 2341 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 2342 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 2343 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2344 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2345 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2346 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2347 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,0,0,0,0,0|2,0,1]=4 2348 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,0,0,0,0,0|2,0,1]=4 2349 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,0,0,0,0,0|2,0,1]=4 2350 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,0,0,0,0,0|2,0,1]=4 2351 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 2352 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,0]=3 2353 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 2354 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 2355 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,0,0,0,0,0|3,0,0]=4 2356 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,1]=4 2357 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|3,0,0]=4 2358 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,1]=4 2359 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,0,0,0,0|2,0,0]=3 2360 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,0,0,0,0|2,0,0]=3 2361 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,0]=3 2362 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,0,0,0,0,0|2,0,1]=4 2363 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,0,0,0,0,0|2,0,1]=4 2364 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,0,0,0,0|2,0,0]=3 2365 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,0,0,0,0|2,0,0]=3 2366 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,0]=3 2367 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,0]=3 2368 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,0]=3 2369 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,0]=3 2370 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,0]=3 2371 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,0]=3 2372 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,0]=3 2373 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,0]=3 2374 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,0]=3 2375 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,0]=3 2376 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,0,0,0,0|2,0,0]=3 2377 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,0,0,0,0|2,0,0]=3 2378 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,0]=3 2379 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,0]=3 2380 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,1]=4 2381 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,1]=4 2382 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,1]=4 2383 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 2384 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,1]=4 2385 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 2386 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 2387 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,1]=4 2388 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 2389 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,1]=4 2390 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,1]=4 2391 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,1]=4 2392 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,1]=4 2393 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 2394 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,1]=4 2395 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 2396 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 2397 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,1]=4 2398 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,1]=4 2399 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,1]=4 2400 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,1]=4 2401 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,1]=4 2402 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,1]=4 2403 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,1]=4 2404 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,1]=4 2405 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,1]=4 2406 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 2407 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 2408 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,1]=4 2409 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,1]=4 2410 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,1]=4 2411 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,1]=4 2412 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,1]=4 2413 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 2414 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 2415 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 2416 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 2417 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2418 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2419 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 2420 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 2421 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 2422 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 2423 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 2424 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,0]=2 2425 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,0]=2 2426 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,0]=3 2427 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,0]=3 2428 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,1]=3 2429 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,1]=3 2430 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,0,0,0,0|1,0,2]=4 2431 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,0,0,0,0|1,0,2]=4 2432 B10R0.1 C#CCC(C)OCCCC=O 7a_100000685586_200011292268 [0,1,0,0,0,0|1,0,2]=4 2433 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,1,0,0,0,0|2,0,1]=4 2434 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,1,0,0,0,0|2,0,1]=4 2435 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|1,0,2]=4 2436 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|1,0,2]=4 2437 B10R0.1 C#CCCCCN(C)CCC 2230a_100000747261_100010269958 [0,1,0,0,0,0|2,0,1]=4 2438 B10R0.1 C#CCCCCN(C)CCC 269982a_100000747261_100010269958 [0,1,0,0,0,0|2,0,1]=4 2439 B10R0.1 C#CCCCNC(C)CCC 2230a_100000741246_100000731252 [0,1,0,0,0,0|2,0,1]=4 2440 B10R0.1 C#CCCCNC(C)CCC 270004a_100000718082_100000211909 [0,1,0,0,0,0|2,0,1]=4 2441 B10R0.1 C#CCCCNC(C)CCC 34a_100000718082_100000766640 [0,1,0,0,0,0|2,0,1]=4 2442 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,1,0,0,0,0|2,0,1]=4 2443 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,1,0,0,0,0|2,0,1]=4 2444 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,1,0,0,0,0|2,0,1]=4 2445 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,1,0,0,0,0|2,0,1]=4 2446 B10R0.1 C#CCCCSC(C)CCC 62a_100000766640_100011215417 [0,1,0,0,0,0|2,0,1]=4 2447 B10R0.1 C#CCCCSC(C)CCC 62a_100011215417_100000766640 [0,1,0,0,0,0|2,0,1]=4 2448 B10R0.1 C#CCCNCC(C)CCC 34a_100000755551_100011216630 [0,1,0,0,0,0|2,0,1]=4 2449 B10R0.1 C#CCCOCC(C)CCC 34a_100000688023_100000688953 [0,1,0,0,0,0|2,0,1]=4 2450 B10R0.1 C#CCCOCC(C)CCC 34a_100011215631_100011216630 [0,1,0,0,0,0|2,0,1]=4 2451 B10R0.1 C#CCCOCC(C)CCC 7a_100000688023_100000688953 [0,1,0,0,0,0|2,0,1]=4 2452 B10R0.1 C#CCCOC[C@@H](N)CCC 34a_100000732646_100000688953 [0,1,0,0,0,0|2,0,1]=4 2453 B10R0.1 C#CCCSCC(C)CCC 62a_100000688953_100011216630 [0,1,0,0,0,0|2,0,1]=4 2454 B10R0.1 C#CCCSCC(C)CCC 62a_100011216630_100000688953 [0,1,0,0,0,0|2,0,1]=4 2455 B10R0.1 C#CCN(C)CCCCC=O 2230a_100000225692_100000139335 [0,1,0,0,0,0|1,0,2]=4 2456 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,1,0,0,0,0|2,0,1]=4 2457 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,1,0,0,0,0|2,0,1]=4 2458 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,1,0,0,0,0|2,0,1]=4 2459 B10R0.1 C#CCOCCC(C)CCC 34a_100011217855_100000184674 [0,1,0,0,0,0|2,0,1]=4 2460 B10R0.1 C#CCOCCC(C)CCC 7a_100011217855_100000038162 [0,1,0,0,0,0|2,0,1]=4 2461 B10R0.1 C#CCOCC[C@@H](N)CCC 34a_100015193777_100000184674 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [0,1,0,0,0,0|2,0,1]=4 2465 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [0,1,0,0,0,0|2,0,1]=4 2466 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [0,1,0,0,0,0|2,0,1]=4 2467 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [0,1,0,0,0,0|2,0,1]=4 2468 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [0,1,0,0,0,0|2,0,1]=4 2470 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|1,0,1]=3 2471 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|1,0,1]=3 2472 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,1,0,0,0,0|2,0,1]=4 2473 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,1,0,0,0,0|2,0,1]=4 2474 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,1,0,0,0,0|2,0,1]=4 2475 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,1,0,0,0,0|2,0,1]=4 2476 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,1,0,0,0,0|2,0,1]=4 2479 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,1,0,0,0,0|2,0,1]=4 2480 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,1,0,0,0,0|2,0,1]=4 2481 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 2482 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 2483 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 2484 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 2485 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,1,0,0,0,0|2,0,0]=3 2486 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,1,0,0,0,0|2,0,0]=3 2487 B10R0.1 C=CCC(C)COCCCF 34a_100009832082_100011934791 [0,1,0,0,0,0|3,0,0]=4 2488 B10R0.1 C=CCC(C)COCCCF 7a_100009832082_100011934791 [0,1,0,0,0,0|3,0,0]=4 2489 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [0,1,0,0,0,0|3,0,0]=4 2490 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [0,1,0,0,0,0|3,0,0]=4 2491 B10R0.1 C=CCC(C)COCCOC 34a_100009832082_100011201679 [0,1,0,0,0,0|3,0,0]=4 2492 B10R0.1 C=CCC(C)COCCOC 7a_100009832082_100000233755 [0,1,0,0,0,0|3,0,0]=4 2493 B10R0.1 C=CCC(C)COCCSC 34a_100009832082_100000212216 [0,1,0,0,0,0|3,0,0]=4 2494 B10R0.1 C=CCC(C)COCCSC 7a_100009832082_100000212216 [0,1,0,0,0,0|3,0,0]=4 2495 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|1,0,1]=3 2496 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|1,0,1]=3 2497 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,1,0,0,0,0|2,0,1]=4 2498 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|2,0,1]=4 2499 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|2,0,1]=4 2500 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,1,0,0,0,0|2,0,1]=4 2501 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,1,0,0,0,0|2,0,1]=4 2502 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,1,0,0,0,0|2,0,1]=4 2503 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,1,0,0,0,0|2,0,1]=4 2504 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,1,0,0,0,0|2,0,1]=4 2505 B10R0.1 C=CCCCCN(C)CC=O 2230a_100012000471_200015260668 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.1 C=CCCCCN(C)CC=O 269982a_100012000471_200015260668 [0,1,0,0,0,0|1,0,2]=4 2507 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,1,0,0,0,0|2,0,0]=3 2508 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,1,0,0,0,0|2,0,0]=3 2509 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,1,0,0,0,0|2,0,0]=3 2510 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,1,0,0,0,0|2,0,0]=3 2511 B10R0.1 C=CCCCCN(C)CCF 2230a_100012000471_100011217306 [0,1,0,0,0,0|3,0,0]=4 2512 B10R0.1 C=CCCCCN(C)CCF 269982a_100012000471_100011217306 [0,1,0,0,0,0|3,0,0]=4 2513 B10R0.1 C=CCCCCN(C)CCO 2230a_100000210263_100011215482 [0,1,0,0,0,0|3,0,0]=4 2514 B10R0.1 C=CCCCCN(C)CCO 2230a_100012000471_100000211926 [0,1,0,0,0,0|3,0,0]=4 2515 B10R0.1 C=CCCCCN(C)CCO 269982a_100000210263_100011215482 [0,1,0,0,0,0|3,0,0]=4 2516 B10R0.1 C=CCCCCN(C)CCO 269982a_100012000471_100000211926 [0,1,0,0,0,0|3,0,0]=4 2517 B10R0.1 C=CCCCCN(C)COC 2230a_100012000471_100000766300 [0,1,0,0,0,0|3,0,0]=4 2518 B10R0.1 C=CCCCCN(C)COC 269982a_100012000471_100000766300 [0,1,0,0,0,0|3,0,0]=4 2519 B10R0.1 C=CCCCCN(C)CSC 2230a_100012000471_100011218213 [0,1,0,0,0,0|3,0,0]=4 2520 B10R0.1 C=CCCCCN(C)CSC 269982a_100012000471_100011218213 [0,1,0,0,0,0|3,0,0]=4 2521 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 2522 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 2523 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 2524 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 2525 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,1,0,0,0,0|2,0,0]=3 2526 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,1,0,0,0,0|2,0,0]=3 2527 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,1,0,0,0,0|2,0,0]=3 2528 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,1,0,0,0,0|2,0,0]=3 2529 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [0,1,0,0,0,0|3,0,0]=4 2530 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [0,1,0,0,0,0|3,0,0]=4 2531 B10R0.1 C=CCCCNC(C)COC 2230a_100000700776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2532 B10R0.1 C=CCCCNC(C)COC 270004a_100000700776_100000749346 [0,1,0,0,0,0|3,0,0]=4 2533 B10R0.1 C=CCCCNC(C)COC 34a_100000700776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2534 B10R0.1 C=CCCCNC(C)CSC 270004a_100000700776_100011216314 [0,1,0,0,0,0|3,0,0]=4 2535 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [0,1,0,0,0,0|3,0,0]=4 2536 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [0,1,0,0,0,0|3,0,0]=4 2537 B10R0.1 C=CCCCN[C@H](C)COC 2230a_100000764878_100011713584 [0,1,0,0,0,0|3,0,0]=4 2538 B10R0.1 C=CCCCOC(C)CCBr 34a_100012276601_100000757094 [0,1,0,0,0,0|3,0,0]=4 2539 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,1,0,0,0,0|2,0,0]=3 2540 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,1,0,0,0,0|2,0,0]=3 2541 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,1,0,0,0,0|2,0,0]=3 2542 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,1,0,0,0,0|2,0,0]=3 2543 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [0,1,0,0,0,0|3,0,0]=4 2544 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [0,1,0,0,0,0|3,0,0]=4 2545 B10R0.1 C=CCCCOC(C)COC 34a_100000758997_100000765312 [0,1,0,0,0,0|3,0,0]=4 2546 B10R0.1 C=CCCCOC(C)COC 7a_100000758997_100000765312 [0,1,0,0,0,0|3,0,0]=4 2547 B10R0.1 C=CCCCO[C@H](C)COC 34a_100011934205_100000757094 [0,1,0,0,0,0|3,0,0]=4 2548 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,1,0,0,0,0|2,0,0]=3 2549 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,1,0,0,0,0|2,0,0]=3 2550 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [0,1,0,0,0,0|3,0,0]=4 2551 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [0,1,0,0,0,0|3,0,0]=4 2552 B10R0.1 C=CCCCSC(C)COC 62a_100000765312_100000757094 [0,1,0,0,0,0|3,0,0]=4 2553 B10R0.1 C=CCCCSC(C)COC 62a_100011713584_100000765312 [0,1,0,0,0,0|3,0,0]=4 2554 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,1,0,0,0,0|2,0,1]=4 2555 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,1,0,0,0,0|2,0,0]=3 2556 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,1,0,0,0,0|2,0,0]=3 2557 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [0,1,0,0,0,0|3,0,0]=4 2558 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [0,1,0,0,0,0|3,0,0]=4 2559 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,1,0,0,0,0|2,0,0]=3 2560 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,1,0,0,0,0|2,0,0]=3 2561 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,1,0,0,0,0|2,0,0]=3 2562 B10R0.1 C=CCCOCC(C)CCN 34a_106354213184_100000754431 [0,1,0,0,0,0|3,0,0]=4 2563 B10R0.1 C=CCCOCC(N)COC 34a_100000724102_100000754431 [0,1,0,0,0,0|3,0,0]=4 2564 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,1,0,0,0,0|3,0,0]=4 2565 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,1,0,0,0,0|2,0,0]=3 2566 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,1,0,0,0,0|2,0,1]=4 2567 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,1,0,0,0,0|2,0,1]=4 2568 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,1,0,0,0,0|2,0,0]=3 2569 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,1,0,0,0,0|2,0,0]=3 2570 B10R0.1 C=CCCSCC(O)COC 62a_100000754431_100011215053 [0,1,0,0,0,0|3,0,0]=4 2571 B10R0.1 C=CCCSCC(O)COC 62a_100011215053_100000754431 [0,1,0,0,0,0|3,0,0]=4 2572 B10R0.1 C=CCN(C)CCCCC=O 2230a_100000225617_100000139335 [0,1,0,0,0,0|1,0,2]=4 2573 B10R0.1 C=CCN(C)CCCCC=O 269982a_100000225617_100000139335 [0,1,0,0,0,0|1,0,2]=4 2574 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,1,0,0,0,0|2,0,0]=3 2575 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,1,0,0,0,0|2,0,0]=3 2576 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,1,0,0,0,0|2,0,0]=3 2577 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,1,0,0,0,0|2,0,0]=3 2578 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [0,1,0,0,0,0|3,0,0]=4 2579 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [0,1,0,0,0,0|3,0,0]=4 2580 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [0,1,0,0,0,0|3,0,0]=4 2581 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [0,1,0,0,0,0|3,0,0]=4 2582 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [0,1,0,0,0,0|3,0,0]=4 2583 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [0,1,0,0,0,0|3,0,0]=4 2584 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [0,1,0,0,0,0|3,0,0]=4 2585 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [0,1,0,0,0,0|3,0,0]=4 2586 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [0,1,0,0,0,0|3,0,0]=4 2587 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [0,1,0,0,0,0|3,0,0]=4 2588 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [0,1,0,0,0,0|3,0,0]=4 2589 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [0,1,0,0,0,0|3,0,0]=4 2590 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [0,1,0,0,0,0|3,0,0]=4 2591 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [0,1,0,0,0,0|3,0,0]=4 2592 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,1,0,0,0,0|2,0,1]=4 2593 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,1,0,0,0,0|2,0,0]=3 2594 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,1,0,0,0,0|2,0,0]=3 2595 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,1,0,0,0,0|2,0,0]=3 2596 B10R0.1 C=CC[C@@H](C)OCCCC=O 7a_100000731007_200011292268 [0,1,0,0,0,0|1,0,2]=4 2597 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,1,0,0,0,0|2,0,0]=3 2598 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,1,0,0,0,0|2,0,0]=3 2599 B10R0.1 C=CC[C@@H](C)OCCCCF 34a_100000731007_100000729493 [0,1,0,0,0,0|3,0,0]=4 2600 B10R0.1 C=CC[C@@H](C)OCCCCF 7a_100000731007_100000729493 [0,1,0,0,0,0|3,0,0]=4 2601 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [0,1,0,0,0,0|3,0,0]=4 2602 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [0,1,0,0,0,0|3,0,0]=4 2603 B10R0.1 C=CC[C@@H](C)OCCCOC 34a_100000731007_100000740836 [0,1,0,0,0,0|3,0,0]=4 2604 B10R0.1 C=CC[C@@H](C)OCCCOC 7a_100000731007_100000740836 [0,1,0,0,0,0|3,0,0]=4 2605 B10R0.1 C=CC[C@@H](C)OCCOCC 34a_100000731007_100000210147 [0,1,0,0,0,0|3,0,0]=4 2606 B10R0.1 C=CC[C@@H](C)OCCOCC 7a_100000731007_100011215890 [0,1,0,0,0,0|3,0,0]=4 2607 B10R0.1 C=CC[C@@H](C)OCCSCC 34a_100000731007_100000757381 [0,1,0,0,0,0|3,0,0]=4 2608 B10R0.1 C=CC[C@@H](C)OCCSCC 7a_100000731007_100000757381 [0,1,0,0,0,0|3,0,0]=4 2609 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,1,0,0,0,0|2,0,0]=3 2610 B10R0.1 C=CC[C@@H](N)COCCCF 34a_100020615467_100011934791 [0,1,0,0,0,0|3,0,0]=4 2611 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [0,1,0,0,0,0|3,0,0]=4 2612 B10R0.1 C=CC[C@@H](N)COCCOC 34a_100020615467_100011201679 [0,1,0,0,0,0|3,0,0]=4 2613 B10R0.1 C=CC[C@@H](N)COCCSC 34a_100020615467_100000212216 [0,1,0,0,0,0|3,0,0]=4 2614 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [0,1,0,0,0,0|3,0,0]=4 2615 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [0,1,0,0,0,0|3,0,0]=4 2616 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [0,1,0,0,0,0|3,0,0]=4 2617 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [0,1,0,0,0,0|3,0,0]=4 2618 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [0,1,0,0,0,0|3,0,0]=4 2619 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [0,1,0,0,0,0|3,0,0]=4 2620 B10R0.1 CC(CC#N)SCCCC=O 62a_100009813641_200011292268 [0,1,0,0,0,0|2,0,1]=4 2621 B10R0.1 CC(CC#N)SCCCC=O 62a_200011292268_100009813641 [0,1,0,0,0,0|2,0,1]=4 2622 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,1,0,0,0,0|2,0,0]=3 2623 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,1,0,0,0,0|2,0,0]=3 2624 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,0,0,0,0|1,0,2]=4 2625 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [0,1,0,0,0,0|2,0,1]=4 2626 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [0,1,0,0,0,0|2,0,1]=4 2627 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [0,1,0,0,0,0|2,0,1]=4 2628 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [0,1,0,0,0,0|2,0,1]=4 2629 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [0,1,0,0,0,0|2,0,1]=4 2630 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,2]=4 2631 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,2]=4 2632 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|0,0,3]=4 2633 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|0,0,3]=4 2634 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 2637 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,1,0,0,0,0|2,0,1]=4 2639 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,1,0,0,0,0|2,0,1]=4 2640 B10R0.1 CCCC(C)CCOCC#N 7a_100011217855_100011215382 [0,1,0,0,0,0|2,0,1]=4 2641 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,1,0,0,0,0|1,0,0]=2 2642 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,1,0,0,0,0|1,0,0]=2 2643 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,1,0,0,0,0|1,0,2]=4 2646 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,1,0,0,0,0|1,0,2]=4 2647 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,1,0,0,0,0|3,0,0]=4 2648 B10R0.1 CCCC(C)CNCCC#N 270004a_100000720768_100000243154 [0,1,0,0,0,0|2,0,1]=4 2649 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,1,0,0,0,0|2,0,1]=4 2650 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,1,0,0,0,0|2,0,1]=4 2651 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,1,0,0,0,0|2,0,1]=4 2652 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,1,0,0,0,0|1,0,2]=4 2653 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,1,0,0,0,0|3,0,0]=4 2654 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,1,0,0,0,0|3,0,0]=4 2655 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [0,1,0,0,0,0|3,0,0]=4 2656 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [0,1,0,0,0,0|3,0,0]=4 2657 B10R0.1 CCCC(C)COCCC#N 7a_100000688023_100000184422 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,1,0,0,0,0|2,0,1]=4 2659 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,1,0,0,0,0|2,0,1]=4 2660 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,1,0,0,0,0|2,0,1]=4 2661 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,1,0,0,0,0|2,0,1]=4 2662 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,1,0,0,0,0|2,0,1]=4 2663 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,1,0,0,0,0|2,0,1]=4 2664 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,1,0,0,0,0|1,0,2]=4 2665 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,1,0,0,0,0|1,0,2]=4 2666 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,1,0,0,0,0|3,0,0]=4 2667 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,1,0,0,0,0|3,0,0]=4 2668 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,1,0,0,0,0|3,0,0]=4 2669 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,1,0,0,0,0|3,0,0]=4 2670 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,1,0,0,0,0|3,0,0]=4 2671 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,1,0,0,0,0|3,0,0]=4 2672 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,1,0,0,0,0|3,0,0]=4 2673 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,1,0,0,0,0|3,0,0]=4 2674 B10R0.1 CCCC(C)CSCCC#N 62a_100011215226_100011216630 [0,1,0,0,0,0|2,0,1]=4 2675 B10R0.1 CCCC(C)CSCCC#N 62a_100011216630_100011215226 [0,1,0,0,0,0|2,0,1]=4 2676 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,1,0,0,0,0|2,0,1]=4 2677 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,1,0,0,0,0|2,0,1]=4 2678 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,1,0,0,0,0|1,0,2]=4 2679 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,1,0,0,0,0|1,0,2]=4 2680 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,1,0,0,0,0|3,0,0]=4 2681 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,1,0,0,0,0|3,0,0]=4 2682 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [0,1,0,0,0,0|3,0,0]=4 2683 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [0,1,0,0,0,0|3,0,0]=4 2684 B10R0.1 CCCC(C)NCCCC#N 2230a_100000741246_100000687738 [0,1,0,0,0,0|2,0,1]=4 2685 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,1,0,0,0,0|1,0,0]=2 2686 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,1,0,0,0,0|2,0,1]=4 2687 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,1,0,0,0,0|1,0,2]=4 2688 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,1,0,0,0,0|1,0,2]=4 2689 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,1,0,0,0,0|1,0,2]=4 2690 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,1,0,0,0,0|1,0,2]=4 2691 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,1,0,0,0,0|3,0,0]=4 2692 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,1,0,0,0,0|3,0,0]=4 2693 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,1,0,0,0,0|3,0,0]=4 2694 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,1,0,0,0,0|3,0,0]=4 2695 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,1,0,0,0,0|3,0,0]=4 2696 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,1,0,0,0,0|2,0,1]=4 2697 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,1,0,0,0,0|1,0,0]=2 2698 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,1,0,0,0,0|2,0,1]=4 2699 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,1,0,0,0,0|2,0,1]=4 2700 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,1,0,0,0,0|2,0,1]=4 2701 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,1,0,0,0,0|2,0,1]=4 2702 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,1,0,0,0,0|2,0,1]=4 2703 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,1,0,0,0,0|2,0,1]=4 2704 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,1,0,0,0,0|2,0,1]=4 2705 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,1,0,0,0,0|2,0,1]=4 2706 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,1,0,0,0,0|2,0,1]=4 2707 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,1,0,0,0,0|1,0,2]=4 2708 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,1,0,0,0,0|1,0,2]=4 2709 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,1,0,0,0,0|3,0,0]=4 2710 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,1,0,0,0,0|3,0,0]=4 2711 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,1,0,0,0,0|3,0,0]=4 2712 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,1,0,0,0,0|3,0,0]=4 2713 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,1,0,0,0,0|3,0,0]=4 2714 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,1,0,0,0,0|3,0,0]=4 2715 B10R0.1 CCCC(C)SCCCC#N 62a_100000687738_100000766640 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.1 CCCC(C)SCCCC#N 62a_100000766640_100000687738 [0,1,0,0,0,0|2,0,1]=4 2717 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,1,0,0,0,0|1,0,0]=2 2718 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,1,0,0,0,0|1,0,0]=2 2719 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,1,0,0,0,0|2,0,1]=4 2720 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,1,0,0,0,0|2,0,1]=4 2721 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,1,0,0,0,0|1,0,2]=4 2722 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,1,0,0,0,0|1,0,2]=4 2723 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,1,0,0,0,0|3,0,0]=4 2724 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,1,0,0,0,0|3,0,0]=4 2725 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,1,0,0,0,0|1,0,2]=4 2726 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,1,0,0,0,0|1,0,2]=4 2727 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,1,0,0,0,0|1,0,2]=4 2728 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,0,0,0,0|1,0,2]=4 2729 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,0,0,0,0|1,0,2]=4 2730 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,2]=4 2731 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,2]=4 2732 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|1,0,2]=4 2733 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|0,0,3]=4 2734 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|0,0,3]=4 2735 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|2,0,1]=4 2736 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|2,0,1]=4 2738 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|2,0,1]=4 2739 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|2,0,1]=4 2740 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|2,0,1]=4 2741 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,1,0,0,0,0|2,0,1]=4 2742 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|2,0,1]=4 2743 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|2,0,1]=4 2744 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|2,0,1]=4 2745 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 2746 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 2747 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|2,0,1]=4 2748 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|2,0,1]=4 2749 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,1,0,0,0,0|2,0,1]=4 2750 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,1,0,0,0,0|2,0,1]=4 2751 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,1,0,0,0,0|2,0,1]=4 2752 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,1,0,0,0,0|2,0,1]=4 2753 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,1,0,0,0,0|2,0,1]=4 2754 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,1,0,0,0,0|1,0,0]=2 2755 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,1,0,0,0,0|1,0,0]=2 2756 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|2,0,1]=4 2757 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|2,0,1]=4 2758 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|2,0,1]=4 2759 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|2,0,1]=4 2760 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,1,0,0,0,0|2,0,1]=4 2761 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,1,0,0,0,0|2,0,1]=4 2762 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|1,0,2]=4 2763 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|1,0,2]=4 2764 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|1,0,2]=4 2765 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|1,0,2]=4 2766 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,1,0,0,0,0|3,0,0]=4 2767 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,1,0,0,0,0|3,0,0]=4 2768 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,1,0,0,0,0|3,0,0]=4 2769 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,1,0,0,0,0|3,0,0]=4 2770 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|2,0,1]=4 2773 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|2,0,1]=4 2774 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|1,0,2]=4 2775 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,1,0,0,0,0|3,0,0]=4 2776 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,1,0,0,0,0|3,0,0]=4 2777 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,1,0,0,0,0|3,0,0]=4 2778 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,1,0,0,0,0|2,0,1]=4 2779 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|1,0,2]=4 2780 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|1,0,2]=4 2781 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,1,0,0,0,0|3,0,0]=4 2782 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,1,0,0,0,0|2,0,1]=4 2783 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,0,0,0,0|2,0,1]=4 2784 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 2785 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|2,0,1]=4 2786 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 2787 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|2,0,1]=4 2788 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|1,0,2]=4 2789 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|1,0,2]=4 2790 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,1,0,0,0,0|3,0,0]=4 2791 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,1,0,0,0,0|3,0,0]=4 2792 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,1,0,0,0,0|3,0,0]=4 2793 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,1,0,0,0,0|2,0,1]=4 2794 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,1,0,0,0,0|2,0,1]=4 2795 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|2,0,1]=4 2796 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|2,0,1]=4 2797 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|1,0,2]=4 2798 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|1,0,2]=4 2799 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,1,0,0,0,0|3,0,0]=4 2800 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,1,0,0,0,0|3,0,0]=4 2801 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|2,0,1]=4 2802 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|2,0,1]=4 2803 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|2,0,1]=4 2804 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,1,0,0,0,0|3,0,0]=4 2805 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,1,0,0,0,0|3,0,0]=4 2806 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,1,0,0,0,0|3,0,0]=4 2807 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,1,0,0,0,0|2,0,1]=4 2808 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|2,0,1]=4 2811 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 2812 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,1,0,0,0,0|3,0,0]=4 2815 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,1,0,0,0,0|3,0,0]=4 2816 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,1,0,0,0,0|3,0,0]=4 2817 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|2,0,1]=4 2818 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,1,0,0,0,0|2,0,1]=4 2819 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|2,0,1]=4 2820 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|2,0,1]=4 2821 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,1,0,0,0,0|3,0,0]=4 2822 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,1,0,0,0,0|3,0,0]=4 2823 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,1,0,0,0,0|2,0,1]=4 2824 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,1,0,0,0,0|2,0,1]=4 2825 B10R0.1 CCCN(C)CCCCC#N 2230a_100000747261_100000211819 [0,1,0,0,0,0|2,0,1]=4 2826 B10R0.1 CCCN(C)CCCCC#N 269982a_100000747261_100011219923 [0,1,0,0,0,0|2,0,1]=4 2827 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,1,0,0,0,0|1,0,0]=2 2828 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,1,0,0,0,0|1,0,0]=2 2829 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,1,0,0,0,0|2,0,1]=4 2830 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,1,0,0,0,0|2,0,1]=4 2831 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|1,0,2]=4 2832 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|1,0,2]=4 2833 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|1,0,2]=4 2834 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|1,0,2]=4 2835 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2836 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2837 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 2838 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 2839 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,1]=4 2840 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,1,0,0,0,0|1,0,0]=2 2841 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,1,0,0,0,0|2,0,1]=4 2842 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,1,0,0,0,0|1,0,2]=4 2843 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,1,0,0,0,0|3,0,0]=4 2844 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,1,0,0,0,0|2,0,1]=4 2845 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,1,0,0,0,0|1,0,2]=4 2846 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,1,0,0,0,0|3,0,0]=4 2847 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,1,0,0,0,0|3,0,0]=4 2848 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,1,0,0,0,0|2,0,1]=4 2853 B10R0.1 CN(CC#N)CCCCC=O 2230a_100000748184_100000139335 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,1,0,0,0,0|2,0,0]=3 2855 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,1,0,0,0,0|2,0,0]=3 2856 B10R0.1 CN(CC=O)CCOCCO 2230a_100000228057_200015260668 [0,1,0,0,0,0|3,0,0]=4 2857 B10R0.1 CN(CC=O)CCOCCO 269982a_100000228057_200015260668 [0,1,0,0,0,0|3,0,0]=4 2858 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,1,0,0,0,0|2,0,0]=3 2859 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,1,0,0,0,0|2,0,0]=3 2860 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [0,1,0,0,0,0|2,0,0]=3 2861 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [0,1,0,0,0,0|2,0,0]=3 2862 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [0,1,0,0,0,0|2,0,0]=3 2863 B10R0.1 C[C@@H](CC#N)NCCCC=O 2230a_100016994482_200011292268 [0,1,0,0,0,0|2,0,1]=4 2864 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,1,0,0,0,0|2,0,0]=3 2865 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,0,0,0,0|0,0,2]=3 2866 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,0,0,0,0|0,0,2]=3 2867 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,0,0,0,0|0,0,2]=3 2868 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,1,0,0,0,0|2,0,1]=4 2874 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [0,1,0,0,0,0|2,0,1]=4 2876 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [0,1,0,0,0,0|2,0,1]=4 2877 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,1,0,0,0,0|1,0,2]=4 2878 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,1,0,0,0,0|1,0,2]=4 2879 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,1,0,0,0,0|1,0,2]=4 2880 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,1,0,0,0,0|1,0,2]=4 2881 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,1,0,0,0,0|1,0,2]=4 2882 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [0,1,0,0,0,0|2,0,1]=4 2883 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [0,1,0,0,0,0|2,0,1]=4 2884 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [0,1,0,0,0,0|2,0,1]=4 2885 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [0,1,0,0,0,0|2,0,1]=4 2887 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [0,1,0,0,0,0|2,0,1]=4 2889 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [0,1,0,0,0,0|2,0,1]=4 2890 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,1,0,0,0,0|1,0,2]=4 2893 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,1,0,0,0,0|1,0,2]=4 2894 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,1,0,0,0,0|1,0,2]=4 2895 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,1,0,0,0,0|1,0,2]=4 2896 B10R0.4 C#CCCCCOCC(C)Br 34a_100012180447_100010269958 [0,1,0,0,0,0|2,0,1]=4 2897 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [0,1,0,0,0,0|2,0,1]=4 2898 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [0,1,0,0,0,0|2,0,1]=4 2899 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [0,1,0,0,0,0|2,0,1]=4 2900 B10R0.4 C#CCCCCOCC(C)F 34a_100015925927_100010269958 [0,1,0,0,0,0|2,0,1]=4 2901 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,1,0,0,0,0|2,0,1]=4 2902 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,1,0,0,0,0|2,0,1]=4 2903 B10R0.4 C#CCCCCOC[C@@H](C)Cl 34a_100016084084_100010269958 [0,1,0,0,0,0|2,0,1]=4 2904 B10R0.4 C#CCCCCOC[C@@H](C)N 34a_100000737577_100010269958 [0,1,0,0,0,0|2,0,1]=4 2905 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,1,0,0,0,0|2,0,1]=4 2906 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,1,0,0,0,0|2,0,1]=4 2907 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,1,0,0,0,0|1,0,2]=4 2908 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,1,0,0,0,0|1,0,2]=4 2909 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,1,0,0,0,0|1,0,2]=4 2910 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,1,0,0,0,0|1,0,2]=4 2911 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [0,1,0,0,0,0|2,0,1]=4 2913 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [0,1,0,0,0,0|2,0,1]=4 2914 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [0,1,0,0,0,0|2,0,1]=4 2915 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [0,1,0,0,0,0|2,0,1]=4 2916 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [0,1,0,0,0,0|2,0,1]=4 2917 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,1,0,0,0,0|1,0,2]=4 2918 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,1,0,0,0,0|2,0,1]=4 2919 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,1,0,0,0,0|2,0,1]=4 2920 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,1,0,0,0,0|2,0,1]=4 2921 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,1,0,0,0,0|1,0,2]=4 2922 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,1,0,0,0,0|1,0,2]=4 2923 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,1,0,0,0,0|1,0,2]=4 2924 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,1,0,0,0,0|1,0,2]=4 2925 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,1,0,0,0,0|1,0,2]=4 2926 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,1,0,0,0,0|1,0,2]=4 2927 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,1,0,0,0,0|1,0,2]=4 2928 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,1,0,0,0,0|2,0,1]=4 2929 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,1,0,0,0,0|2,0,1]=4 2932 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,1,0,0,0,0|2,0,1]=4 2933 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,1,0,0,0,0|2,0,1]=4 2934 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,1,0,0,0,0|2,0,1]=4 2935 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,1,0,0,0,0|2,0,1]=4 2936 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,1,0,0,0,0|1,0,2]=4 2937 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,1,0,0,0,0|1,0,2]=4 2938 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,1,0,0,0,0|1,0,2]=4 2939 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,1,0,0,0,0|1,0,2]=4 2940 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,1,0,0,0,0|2,0,1]=4 2941 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,1,0,0,0,0|2,0,1]=4 2942 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,1,0,0,0,0|2,0,1]=4 2943 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,1,0,0,0,0|2,0,1]=4 2944 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,1,0,0,0,0|1,0,2]=4 2945 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,1,0,0,0,0|1,0,2]=4 2946 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,1,0,0,0,0|1,0,2]=4 2947 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,1,0,0,0,0|2,0,1]=4 2948 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,1,0,0,0,0|2,0,1]=4 2949 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,1,0,0,0,0|2,0,1]=4 2950 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,1,0,0,0,0|2,0,1]=4 2951 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,1,0,0,0,0|1,0,2]=4 2952 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,1,0,0,0,0|1,0,2]=4 2953 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,1,0,0,0,0|1,0,2]=4 2954 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,1,0,0,0,0|1,0,2]=4 2955 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,1,0,0,0,0|2,0,1]=4 2956 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,1,0,0,0,0|2,0,1]=4 2957 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,1,0,0,0,0|2,0,1]=4 2958 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,1,0,0,0,0|2,0,1]=4 2959 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,1,0,0,0,0|1,0,2]=4 2960 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,1,0,0,0,0|1,0,2]=4 2961 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,1,0,0,0,0|1,0,2]=4 2962 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,1,0,0,0,0|1,0,2]=4 2963 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,1,0,0,0,0|2,0,1]=4 2964 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,1,0,0,0,0|2,0,1]=4 2965 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,1,0,0,0,0|2,0,1]=4 2966 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,1,0,0,0,0|2,0,1]=4 2967 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,1,0,0,0,0|1,0,2]=4 2968 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,1,0,0,0,0|1,0,2]=4 2969 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [0,1,0,0,0,0|2,0,1]=4 2970 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,1,0,0,0,0|1,0,2]=4 2971 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,1,0,0,0,0|1,0,2]=4 2972 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,1,0,0,0,0|1,0,2]=4 2973 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,1,0,0,0,0|2,0,1]=4 2974 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,1,0,0,0,0|2,0,1]=4 2975 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,1,0,0,0,0|2,0,1]=4 2976 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,1,0,0,0,0|1,0,2]=4 2977 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [0,1,0,0,0,0|2,0,1]=4 2978 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,1,0,0,0,0|1,0,2]=4 2979 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,1,0,0,0,0|2,0,1]=4 2980 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|2,0,1]=4 2981 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,1,0,0,0,0|1,0,2]=4 2982 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,1,0,0,0,0|2,0,1]=4 2983 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 2984 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|1,0,2]=4 2985 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 2986 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,1,0,0,0,0|1,0,2]=4 2987 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,1,0,0,0,0|2,0,1]=4 2988 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,1,0,0,0,0|2,0,1]=4 2989 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,1,0,0,0,0|2,0,1]=4 2990 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,1,0,0,0,0|1,0,2]=4 2992 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,1,0,0,0,0|1,0,2]=4 2993 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,1,0,0,0,0|1,0,2]=4 2994 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,1,0,0,0,0|1,0,2]=4 2995 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,1,0,0,0,0|2,0,1]=4 2996 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,1,0,0,0,0|2,0,1]=4 2997 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|2,0,1]=4 2998 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,0,0,0,0|2,0,0]=3 3000 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,1,0,0,0,0|3,0,0]=4 3001 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,1,0,0,0,0|3,0,0]=4 3002 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,1,0,0,0,0|3,0,0]=4 3003 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,1,0,0,0,0|3,0,0]=4 3004 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,1,0,0,0,0|3,0,0]=4 3005 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|2,0,0]=3 3006 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,0,0,0,0|3,0,0]=4 3007 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,0,0,0,0|3,0,0]=4 3008 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,1,0,0,0,0|3,0,0]=4 3009 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,1,0,0,0,0|3,0,0]=4 3010 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,1,0,0,0,0|3,0,0]=4 3011 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,1,0,0,0,0|3,0,0]=4 3012 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,1,0,0,0,0|3,0,0]=4 3013 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,1,0,0,0,0|3,0,0]=4 3014 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|2,0,0]=3 3015 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|2,0,0]=3 3016 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|2,0,0]=3 3017 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,1,0,0,0,0|3,0,0]=4 3018 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,1,0,0,0,0|3,0,0]=4 3019 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,1,0,0,0,0|3,0,0]=4 3020 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,1,0,0,0,0|3,0,0]=4 3021 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,1,0,0,0,0|3,0,0]=4 3022 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,1,0,0,0,0|3,0,0]=4 3023 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,1,0,0,0,0|3,0,0]=4 3024 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,0,0,0,0|3,0,0]=4 3025 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,1,0,0,0,0|3,0,0]=4 3026 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,1,0,0,0,0|3,0,0]=4 3027 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,1,0,0,0,0|3,0,0]=4 3028 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,1,0,0,0,0|3,0,0]=4 3029 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,1,0,0,0,0|3,0,0]=4 3030 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,1,0,0,0,0|3,0,0]=4 3031 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,1,0,0,0,0|3,0,0]=4 3032 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,1,0,0,0,0|3,0,0]=4 3033 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,1,0,0,0,0|3,0,0]=4 3034 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,1,0,0,0,0|3,0,0]=4 3035 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,1,0,0,0,0|3,0,0]=4 3036 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [0,1,0,0,0,0|1,0,1]=3 3037 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [0,1,0,0,0,0|1,0,1]=3 3038 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|2,0,0]=3 3039 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|2,0,0]=3 3040 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,1,0,0,0,0|3,0,0]=4 3041 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,1,0,0,0,0|3,0,0]=4 3042 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,0,0,0,0|3,0,0]=4 3043 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,0,0,0,0|3,0,0]=4 3044 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,1,0,0,0,0|3,0,0]=4 3045 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,1,0,0,0,0|3,0,0]=4 3046 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,1,0,0,0,0|3,0,0]=4 3047 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,1,0,0,0,0|3,0,0]=4 3048 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,1,0,0,0,0|3,0,0]=4 3049 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,1,0,0,0,0|3,0,0]=4 3050 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|2,0,0]=3 3051 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,0,0,0,0|3,0,0]=4 3052 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,0,0,0,0|3,0,0]=4 3053 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,1,0,0,0,0|3,0,0]=4 3054 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,1,0,0,0,0|3,0,0]=4 3055 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,1,0,0,0,0|3,0,0]=4 3056 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,1,0,0,0,0|3,0,0]=4 3057 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,1,0,0,0,0|3,0,0]=4 3058 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,1,0,0,0,0|3,0,0]=4 3059 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,1,0,0,0,0|3,0,0]=4 3060 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|2,0,0]=3 3061 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|2,0,0]=3 3062 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|2,0,0]=3 3063 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,1,0,0,0,0|3,0,0]=4 3064 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,1,0,0,0,0|3,0,0]=4 3065 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,1,0,0,0,0|3,0,0]=4 3066 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,1,0,0,0,0|3,0,0]=4 3067 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,1,0,0,0,0|3,0,0]=4 3068 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,1,0,0,0,0|3,0,0]=4 3069 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|3,0,0]=4 3070 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,1,0,0,0,0|3,0,0]=4 3071 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,1,0,0,0,0|3,0,0]=4 3072 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,1,0,0,0,0|3,0,0]=4 3073 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,1,0,0,0,0|3,0,0]=4 3074 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,1,0,0,0,0|3,0,0]=4 3075 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,1,0,0,0,0|3,0,0]=4 3076 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,1,0,0,0,0|3,0,0]=4 3077 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,1,0,0,0,0|3,0,0]=4 3078 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,1,0,0,0,0|3,0,0]=4 3079 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,0,0,0,0|3,0,0]=4 3080 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,0,0,0,0|3,0,0]=4 3081 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,0,0,0,0|3,0,0]=4 3082 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,1,0,0,0,0|3,0,0]=4 3083 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,1,0,0,0,0|3,0,0]=4 3084 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,1,0,0,0,0|3,0,0]=4 3085 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,1,0,0,0,0|1,0,1]=3 3086 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,1,0,0,0,0|1,0,1]=3 3087 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|2,0,0]=3 3088 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|2,0,0]=3 3089 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,1,0,0,0,0|3,0,0]=4 3090 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,1,0,0,0,0|3,0,0]=4 3091 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,0,0,0,0|3,0,0]=4 3092 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,0,0,0,0|3,0,0]=4 3093 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,1,0,0,0,0|3,0,0]=4 3094 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,1,0,0,0,0|3,0,0]=4 3095 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,1,0,0,0,0|3,0,0]=4 3096 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,1,0,0,0,0|3,0,0]=4 3097 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,1,0,0,0,0|3,0,0]=4 3098 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,1,0,0,0,0|3,0,0]=4 3099 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,1,0,0,0,0|3,0,0]=4 3100 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,1,0,0,0,0|3,0,0]=4 3101 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,0,0,0,0|2,0,0]=3 3102 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,1,0,0,0,0|3,0,0]=4 3103 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,1,0,0,0,0|3,0,0]=4 3104 B10R0.4 C=C(F)CNCCCOCC 2230a_100000210961_100009893438 [0,1,0,0,0,0|3,0,0]=4 3105 B10R0.4 C=C(F)CNCCCOCC 34a_100000210961_100009893438 [0,1,0,0,0,0|3,0,0]=4 3106 B10R0.4 C=C(F)CNCCOCCC 2230a_100161115042_100009893438 [0,1,0,0,0,0|3,0,0]=4 3107 B10R0.4 C=C(F)CNCCOCCC 34a_100161115042_100009893438 [0,1,0,0,0,0|3,0,0]=4 3108 B10R0.4 C=C(F)CNCCSCCC 2230a_100020603323_100009893438 [0,1,0,0,0,0|3,0,0]=4 3109 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,1,0,0,0,0|3,0,0]=4 3110 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,1,0,0,0,0|3,0,0]=4 3111 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,0,0,0,0|2,0,0]=3 3112 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,0,0,0,0|2,0,0]=3 3113 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,0,0,0,0|2,0,0]=3 3114 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,1,0,0,0,0|3,0,0]=4 3115 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,1,0,0,0,0|3,0,0]=4 3116 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,1,0,0,0,0|3,0,0]=4 3117 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,1,0,0,0,0|3,0,0]=4 3118 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,1,0,0,0,0|3,0,0]=4 3119 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,1,0,0,0,0|3,0,0]=4 3120 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,1,0,0,0,0|3,0,0]=4 3121 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,1,0,0,0,0|3,0,0]=4 3122 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,1,0,0,0,0|3,0,0]=4 3123 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,1,0,0,0,0|3,0,0]=4 3124 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,1,0,0,0,0|3,0,0]=4 3125 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,1,0,0,0,0|3,0,0]=4 3126 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,1,0,0,0,0|3,0,0]=4 3127 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,1,0,0,0,0|3,0,0]=4 3128 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,1,0,0,0,0|3,0,0]=4 3129 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,1,0,0,0,0|3,0,0]=4 3130 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,1,0,0,0,0|3,0,0]=4 3131 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,1,0,0,0,0|3,0,0]=4 3132 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,1,0,0,0,0|3,0,0]=4 3133 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,1,0,0,0,0|3,0,0]=4 3134 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,1,0,0,0,0|3,0,0]=4 3135 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,1,0,0,0,0|3,0,0]=4 3136 B10R0.4 C=C(F)CSCCCCC=O 62a_100000042424_100000139335 [0,1,0,0,0,0|1,0,2]=4 3137 B10R0.4 C=C(F)CSCCCCC=O 62a_100000139335_100000042424 [0,1,0,0,0,0|1,0,2]=4 3138 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,0,0,0,0|2,0,0]=3 3139 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,0,0,0,0|2,0,0]=3 3140 B10R0.4 C=C(F)CSCCCCCF 62a_100000042424_100000729378 [0,1,0,0,0,0|3,0,0]=4 3141 B10R0.4 C=C(F)CSCCCCCF 62a_100000729378_100000042424 [0,1,0,0,0,0|3,0,0]=4 3142 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,1,0,0,0,0|3,0,0]=4 3143 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,1,0,0,0,0|3,0,0]=4 3144 B10R0.4 C=C(F)CSCCCCOC 62a_100000042424_100000730899 [0,1,0,0,0,0|3,0,0]=4 3145 B10R0.4 C=C(F)CSCCCCOC 62a_100000730899_100000042424 [0,1,0,0,0,0|3,0,0]=4 3146 B10R0.4 C=C(F)CSCCCOCC 62a_100000042424_100012232248 [0,1,0,0,0,0|3,0,0]=4 3147 B10R0.4 C=C(F)CSCCCOCC 62a_100012232248_100000042424 [0,1,0,0,0,0|3,0,0]=4 3148 B10R0.4 C=C(F)CSCCOCCC 62a_100000042424_100011215938 [0,1,0,0,0,0|3,0,0]=4 3149 B10R0.4 C=C(F)CSCCOCCC 62a_100011215938_100000042424 [0,1,0,0,0,0|3,0,0]=4 3150 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,1,0,0,0,0|3,0,0]=4 3151 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,1,0,0,0,0|3,0,0]=4 3152 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,0,0,0,0|0,0,2]=3 3153 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,0,0,0,0|0,0,2]=3 3154 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,0,0,0,0|0,0,2]=3 3155 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,1,0,0,0,0|2,0,0]=3 3156 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,1,0,0,0,0|2,0,0]=3 3157 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,1,0,0,0,0|2,0,0]=3 3158 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,1,0,0,0,0|2,0,0]=3 3159 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,1,0,0,0,0|2,0,0]=3 3160 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,1,0,0,0,0|2,0,0]=3 3161 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,1,0,0,0,0|2,0,0]=3 3162 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,1,0,0,0,0|2,0,0]=3 3163 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,1,0,0,0,0|2,0,0]=3 3164 B10R0.4 C=CCCCCNCC(=C)C 2230a_100000703577_100000748629 [0,1,0,0,0,0|2,0,1]=4 3165 B10R0.4 C=CCCCCNCC(=C)C 34a_100000703577_100000748629 [0,1,0,0,0,0|2,0,1]=4 3166 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,1,0,0,0,0|1,0,2]=4 3167 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,1,0,0,0,0|1,0,2]=4 3168 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,1,0,0,0,0|1,0,2]=4 3169 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,1,0,0,0,0|1,0,2]=4 3170 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,1,0,0,0,0|1,0,2]=4 3171 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,1,0,0,0,0|2,0,0]=3 3172 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,1,0,0,0,0|2,0,0]=3 3173 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,1,0,0,0,0|2,0,0]=3 3174 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,1,0,0,0,0|2,0,0]=3 3175 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,1,0,0,0,0|2,0,0]=3 3176 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,1,0,0,0,0|2,0,0]=3 3177 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,1,0,0,0,0|2,0,0]=3 3178 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,1,0,0,0,0|2,0,0]=3 3179 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,1,0,0,0,0|2,0,0]=3 3180 B10R0.4 C=CCCCCNCC(F)F 2230a_100000703577_100011934356 [0,1,0,0,0,0|3,0,0]=4 3181 B10R0.4 C=CCCCCNCC(F)F 34a_100000703577_100011934356 [0,1,0,0,0,0|3,0,0]=4 3182 B10R0.4 C=CCCCCNCC(F)F 34a_100000765723_100011215482 [0,1,0,0,0,0|3,0,0]=4 3183 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,1,0,0,0,0|2,0,0]=3 3184 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,1,0,0,0,0|2,0,0]=3 3185 B10R0.4 C=CCCCCOCC(=C)C 34a_100000210245_100011215482 [0,1,0,0,0,0|2,0,1]=4 3186 B10R0.4 C=CCCCCOCC(=C)C 34a_100000766645_100000748629 [0,1,0,0,0,0|2,0,1]=4 3187 B10R0.4 C=CCCCCOCC(=C)C 7a_100000766645_100000748629 [0,1,0,0,0,0|2,0,1]=4 3188 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,1,0,0,0,0|1,0,2]=4 3189 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,1,0,0,0,0|1,0,2]=4 3190 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,1,0,0,0,0|1,0,2]=4 3191 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,1,0,0,0,0|1,0,2]=4 3192 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,1,0,0,0,0|2,0,0]=3 3193 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,1,0,0,0,0|2,0,0]=3 3194 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,1,0,0,0,0|2,0,0]=3 3195 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,1,0,0,0,0|2,0,0]=3 3196 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,1,0,0,0,0|2,0,0]=3 3197 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|2,0,0]=3 3198 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|2,0,0]=3 3199 B10R0.4 C=CCCCCOCC(F)F 34a_100000743014_100011215482 [0,1,0,0,0,0|3,0,0]=4 3200 B10R0.4 C=CCCCCOCC(F)F 34a_100000766645_100011934356 [0,1,0,0,0,0|3,0,0]=4 3201 B10R0.4 C=CCCCCOCC(F)F 7a_100000766645_100011934356 [0,1,0,0,0,0|3,0,0]=4 3202 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,1,0,0,0,0|2,0,0]=3 3203 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,1,0,0,0,0|2,0,0]=3 3204 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|2,0,0]=3 3205 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|2,0,0]=3 3206 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [0,1,0,0,0,0|2,0,1]=4 3207 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [0,1,0,0,0,0|2,0,1]=4 3208 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,1,0,0,0,0|1,0,2]=4 3209 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,1,0,0,0,0|1,0,2]=4 3210 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,1,0,0,0,0|1,0,2]=4 3211 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,1,0,0,0,0|1,0,2]=4 3212 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,1,0,0,0,0|2,0,0]=3 3213 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,1,0,0,0,0|2,0,0]=3 3214 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,1,0,0,0,0|2,0,0]=3 3215 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,1,0,0,0,0|2,0,0]=3 3216 B10R0.4 C=CCCCCSCC(F)F 62a_100011215482_100011934356 [0,1,0,0,0,0|3,0,0]=4 3217 B10R0.4 C=CCCCCSCC(F)F 62a_100011934356_100011215482 [0,1,0,0,0,0|3,0,0]=4 3218 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,1,0,0,0,0|2,0,0]=3 3219 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,1,0,0,0,0|2,0,0]=3 3220 B10R0.4 C=CCCCNCCC(=C)C 2230a_100000700776_100000730704 [0,1,0,0,0,0|2,0,1]=4 3221 B10R0.4 C=CCCCNCCC(=C)C 34a_100000700776_100000730704 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,1,0,0,0,0|1,0,2]=4 3223 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,1,0,0,0,0|1,0,2]=4 3224 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,1,0,0,0,0|2,0,0]=3 3225 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,1,0,0,0,0|2,0,0]=3 3226 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,1,0,0,0,0|2,0,0]=3 3227 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,1,0,0,0,0|2,0,0]=3 3228 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,1,0,0,0,0|2,0,0]=3 3229 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,1,0,0,0,0|2,0,0]=3 3230 B10R0.4 C=CCCCNCOC(C)C 2230a_100000700776_100000709892 [0,1,0,0,0,0|3,0,0]=4 3231 B10R0.4 C=CCCCNCOC(C)C 34a_100000700776_100000709892 [0,1,0,0,0,0|3,0,0]=4 3232 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [0,1,0,0,0,0|2,0,1]=4 3233 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [0,1,0,0,0,0|2,0,1]=4 3234 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [0,1,0,0,0,0|2,0,1]=4 3235 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,1,0,0,0,0|1,0,2]=4 3236 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,1,0,0,0,0|1,0,2]=4 3237 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,1,0,0,0,0|1,0,2]=4 3238 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,1,0,0,0,0|1,0,2]=4 3241 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,1,0,0,0,0|1,0,2]=4 3242 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,1,0,0,0,0|2,0,0]=3 3243 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,1,0,0,0,0|2,0,0]=3 3244 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,1,0,0,0,0|2,0,0]=3 3245 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,1,0,0,0,0|2,0,0]=3 3246 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,1,0,0,0,0|2,0,0]=3 3247 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,1,0,0,0,0|2,0,0]=3 3248 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,1,0,0,0,0|2,0,0]=3 3249 B10R0.4 C=CCCCOCCC(F)F 34a_100103093639_100000757094 [0,1,0,0,0,0|3,0,0]=4 3250 B10R0.4 C=CCCCOCCN(C)C 7a_100000758997_100000755713 [0,1,0,0,0,0|3,0,0]=4 3251 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,1,0,0,0,0|2,0,0]=3 3252 B10R0.4 C=CCCCOCOC(C)C 34a_100000758997_100000709892 [0,1,0,0,0,0|3,0,0]=4 3253 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [0,1,0,0,0,0|2,0,1]=4 3254 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [0,1,0,0,0,0|2,0,1]=4 3255 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,1,0,0,0,0|1,0,2]=4 3256 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,1,0,0,0,0|1,0,2]=4 3257 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,1,0,0,0,0|1,0,2]=4 3258 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,1,0,0,0,0|1,0,2]=4 3259 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,1,0,0,0,0|2,0,0]=3 3260 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,1,0,0,0,0|2,0,0]=3 3261 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,1,0,0,0,0|2,0,0]=3 3262 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,1,0,0,0,0|2,0,0]=3 3263 B10R0.4 C=CCCCSCCN(C)C 62a_100011713584_100000755713 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.4 C=CCCCSCOC(C)C 62a_100000709892_100000757094 [0,1,0,0,0,0|3,0,0]=4 3265 B10R0.4 C=CCCCSCOC(C)C 62a_100011713584_100000709892 [0,1,0,0,0,0|3,0,0]=4 3266 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,1,0,0,0,0|1,0,2]=4 3267 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,1,0,0,0,0|2,0,0]=3 3268 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,1,0,0,0,0|2,0,0]=3 3269 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,1,0,0,0,0|2,0,0]=3 3270 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,1,0,0,0,0|2,0,0]=3 3271 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [0,1,0,0,0,0|3,0,0]=4 3272 B10R0.4 C=CCCNCCOC(C)C 2230a_100000701111_100000754431 [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.4 C=CCCNCCOC(C)C 2230a_100015191253_100000211751 [0,1,0,0,0,0|3,0,0]=4 3274 B10R0.4 C=CCCNCCOC(C)C 34a_100000701111_100000754431 [0,1,0,0,0,0|3,0,0]=4 3275 B10R0.4 C=CCCNCCSC(C)C 2230a_100000731138_100000754431 [0,1,0,0,0,0|3,0,0]=4 3276 B10R0.4 C=CCCNCCSC(C)C 2230a_100015191253_100000730970 [0,1,0,0,0,0|3,0,0]=4 3277 B10R0.4 C=CCCNCCSC(C)C 34a_100000731138_100000754431 [0,1,0,0,0,0|3,0,0]=4 3278 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,1,0,0,0,0|1,0,2]=4 3279 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,1,0,0,0,0|1,0,2]=4 3280 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,1,0,0,0,0|1,0,2]=4 3281 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,1,0,0,0,0|1,0,2]=4 3282 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,1,0,0,0,0|2,0,0]=3 3283 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,1,0,0,0,0|2,0,0]=3 3284 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,1,0,0,0,0|2,0,0]=3 3285 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,1,0,0,0,0|2,0,0]=3 3286 B10R0.4 C=CCCOCCNC(C)C 34a_100000224655_100000754431 [0,1,0,0,0,0|3,0,0]=4 3287 B10R0.4 C=CCCOCCOC(C)C 34a_100000211219_100000754431 [0,1,0,0,0,0|3,0,0]=4 3288 B10R0.4 C=CCCOCCOC(C)C 34a_100011205117_100000211751 [0,1,0,0,0,0|3,0,0]=4 3289 B10R0.4 C=CCCOCCOC(C)C 7a_100000211219_100000754431 [0,1,0,0,0,0|3,0,0]=4 3290 B10R0.4 C=CCCOCCSC(C)C 34a_100011205117_100000730970 [0,1,0,0,0,0|3,0,0]=4 3291 B10R0.4 C=CCCOCCSC(C)C 34a_200011212901_100000754431 [0,1,0,0,0,0|3,0,0]=4 3292 B10R0.4 C=CCCOCCSC(C)C 7a_200011212901_100000754431 [0,1,0,0,0,0|3,0,0]=4 3293 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,1,0,0,0,0|1,0,2]=4 3294 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,1,0,0,0,0|1,0,2]=4 3295 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,1,0,0,0,0|1,0,2]=4 3296 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,1,0,0,0,0|1,0,2]=4 3297 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,1,0,0,0,0|2,0,0]=3 3298 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,1,0,0,0,0|2,0,0]=3 3299 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,1,0,0,0,0|2,0,0]=3 3300 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,1,0,0,0,0|2,0,0]=3 3301 B10R0.4 C=CCCSCCCN(C)C 62a_100000754431_100000757444 [0,1,0,0,0,0|3,0,0]=4 3302 B10R0.4 C=CCCSCCOC(C)C 62a_100000211751_100000754431 [0,1,0,0,0,0|3,0,0]=4 3303 B10R0.4 C=CCCSCCOC(C)C 62a_100000754431_100000211751 [0,1,0,0,0,0|3,0,0]=4 3304 B10R0.4 C=CCCSCCSC(C)C 62a_100000730970_100000754431 [0,1,0,0,0,0|3,0,0]=4 3305 B10R0.4 C=CCCSCCSC(C)C 62a_100000754431_100000730970 [0,1,0,0,0,0|3,0,0]=4 3306 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,1,0,0,0,0|1,0,2]=4 3307 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,1,0,0,0,0|2,0,0]=3 3308 B10R0.4 C=CCNCCCOC(C)C 2230a_100000737246_100000210623 [0,1,0,0,0,0|3,0,0]=4 3309 B10R0.4 C=CCNCCCOC(C)C 34a_100000737246_100015514636 [0,1,0,0,0,0|3,0,0]=4 3310 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,1,0,0,0,0|1,0,2]=4 3311 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,1,0,0,0,0|1,0,2]=4 3312 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,1,0,0,0,0|1,0,2]=4 3313 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,1,0,0,0,0|2,0,0]=3 3314 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,1,0,0,0,0|2,0,0]=3 3315 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,1,0,0,0,0|2,0,0]=3 3316 B10R0.4 C=CCOCCCNC(C)C 34a_100000182298_100015514636 [0,1,0,0,0,0|3,0,0]=4 3317 B10R0.4 C=CCOCCNCC(C)C 34a_100015185251_100015514636 [0,1,0,0,0,0|3,0,0]=4 3318 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [0,1,0,0,0,0|3,0,0]=4 3319 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [0,1,0,0,0,0|3,0,0]=4 3320 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [0,1,0,0,0,0|3,0,0]=4 3321 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [0,1,0,0,0,0|3,0,0]=4 3322 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,1,0,0,0,0|3,0,0]=4 3323 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,1,0,0,0,0|3,0,0]=4 3324 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,1,0,0,0,0|3,0,0]=4 3325 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,1,0,0,0,0|3,0,0]=4 3326 B10R0.4 C=CCOCCSCC(C)C 34a_200000230437_100015514636 [0,1,0,0,0,0|3,0,0]=4 3327 B10R0.4 C=CCOCCSCC(C)C 7a_200000230437_100015514636 [0,1,0,0,0,0|3,0,0]=4 3328 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,1,0,0,0,0|1,0,2]=4 3329 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,1,0,0,0,0|1,0,2]=4 3330 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,1,0,0,0,0|2,0,0]=3 3331 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,1,0,0,0,0|2,0,0]=3 3332 B10R0.4 C=CCSCCCCN(C)C 62a_100000210623_100000690147 [0,1,0,0,0,0|3,0,0]=4 3333 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,1,0,0,0,0|3,0,0]=4 3334 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,1,0,0,0,0|3,0,0]=4 3335 B10R0.4 C=COCCCNCC(C)C 2230a_100000210767_100000210760 [0,1,0,0,0,0|3,0,0]=4 3336 B10R0.4 C=COCCCNCC(C)C 270004a_100000210767_100000210432 [0,1,0,0,0,0|3,0,0]=4 3337 B10R0.4 C=COCCCNCC(C)C 34a_100000210767_100000210624 [0,1,0,0,0,0|3,0,0]=4 3338 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,1,0,0,0,0|3,0,0]=4 3339 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,1,0,0,0,0|3,0,0]=4 3340 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,1,0,0,0,0|3,0,0]=4 3341 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,1,0,0,0,0|3,0,0]=4 3342 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,1,0,0,0,0|3,0,0]=4 3343 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,1,0,0,0,0|3,0,0]=4 3344 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,1,0,0,0,0|3,0,0]=4 3345 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,1,0,0,0,0|3,0,0]=4 3346 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,1,0,0,0,0|3,0,0]=4 3347 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,1,0,0,0,0|3,0,0]=4 3348 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,1,0,0,0,0|3,0,0]=4 3349 B10R0.4 C=COCCSCCC(C)C 62a_100000039644_100000210312 [0,1,0,0,0,0|3,0,0]=4 3350 B10R0.4 C=COCCSCCC(C)C 62a_100000210312_100000039644 [0,1,0,0,0,0|3,0,0]=4 3351 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,1,0,0,0,0|3,0,0]=4 3352 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,1,0,0,0,0|3,0,0]=4 3353 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [0,1,0,0,0,0|1,0,2]=4 3354 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,1,0,0,0,0|1,0,2]=4 3355 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [0,1,0,0,0,0|1,0,2]=4 3356 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [0,1,0,0,0,0|1,0,2]=4 3357 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,1,0,0,0,0|1,0,2]=4 3358 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,1,0,0,0,0|1,0,2]=4 3359 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,1,0,0,0,0|1,0,2]=4 3360 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [0,1,0,0,0,0|1,0,2]=4 3361 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,1,0,0,0,0|1,0,2]=4 3362 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,1,0,0,0,0|1,0,2]=4 3363 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [0,1,0,0,0,0|1,0,2]=4 3364 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [0,1,0,0,0,0|1,0,2]=4 3365 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [0,1,0,0,0,0|1,0,2]=4 3366 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [0,1,0,0,0,0|1,0,2]=4 3367 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,0,0,0,0|1,0,1]=3 3368 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|1,0,0]=2 3369 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|1,0,0]=2 3370 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,1,0,0,0,0|3,0,0]=4 3371 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|2,0,0]=3 3372 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|2,0,0]=3 3373 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|2,0,0]=3 3374 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|2,0,0]=3 3375 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,1,0,0,0,0|2,0,1]=4 3376 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,1,0,0,0,0|2,0,1]=4 3377 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,1,0,0,0,0|1,0,1]=3 3378 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,1,0,0,0,0|1,0,1]=3 3379 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|2,0,0]=3 3380 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|2,0,0]=3 3381 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|2,0,0]=3 3382 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|2,0,0]=3 3383 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|2,0,0]=3 3384 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,1,0,0,0,0|2,0,1]=4 3385 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|2,0,0]=3 3386 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|2,0,0]=3 3387 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|2,0,0]=3 3388 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|2,0,0]=3 3389 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|2,0,0]=3 3390 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|2,0,0]=3 3391 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|2,0,0]=3 3392 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|2,0,0]=3 3393 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,1,0,0,0,0|3,0,0]=4 3394 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,1,0,0,0,0|2,0,1]=4 3395 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,1,0,0,0,0|2,0,1]=4 3396 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|2,0,0]=3 3397 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|2,0,0]=3 3398 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|2,0,0]=3 3399 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|2,0,0]=3 3400 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,1,0,0,0,0|2,0,1]=4 3401 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,1,0,0,0,0|1,0,1]=3 3402 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|2,0,0]=3 3403 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|2,0,0]=3 3404 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|2,0,0]=3 3405 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|2,0,0]=3 3406 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|2,0,0]=3 3407 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|2,0,0]=3 3408 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,1,0,0,0,0|2,0,1]=4 3409 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,1,0,0,0,0|2,0,1]=4 3410 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,1,0,0,0,0|1,0,1]=3 3411 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,1,0,0,0,0|1,0,1]=3 3412 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|2,0,0]=3 3413 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|2,0,0]=3 3414 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|2,0,0]=3 3415 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|2,0,0]=3 3416 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|2,0,0]=3 3417 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|2,0,0]=3 3418 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|3,0,0]=4 3419 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|3,0,0]=4 3420 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,1,0,0,0,0|2,0,1]=4 3421 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,1,0,0,0,0|2,0,1]=4 3422 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,1,0,0,0,0|2,0,1]=4 3423 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,1,0,0,0,0|2,0,1]=4 3424 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|2,0,0]=3 3425 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|2,0,0]=3 3426 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|2,0,0]=3 3427 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|2,0,0]=3 3428 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,1,0,0,0,0|3,0,0]=4 3429 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,1,0,0,0,0|2,0,1]=4 3430 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,1,0,0,0,0|3,0,0]=4 3431 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,0,0,0,0|3,0,0]=4 3432 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,1,0,0,0,0|3,0,0]=4 3434 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,0,0,0,0|3,0,0]=4 3435 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,0,0,0,0|3,0,0]=4 3436 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,0,0,0,0|3,0,0]=4 3437 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|3,0,0]=4 3438 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|3,0,0]=4 3439 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|3,0,0]=4 3440 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,0,0,0,0|3,0,0]=4 3441 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,0,0,0,0|3,0,0]=4 3442 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|3,0,0]=4 3443 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|3,0,0]=4 3444 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|2,0,0]=3 3445 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|2,0,0]=3 3446 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,0,0,0,0|3,0,0]=4 3447 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,0,0,0,0|3,0,0]=4 3448 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,0,0,0,0|3,0,0]=4 3449 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,0,0,0,0|3,0,0]=4 3450 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,0,0,0,0|3,0,0]=4 3451 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|3,0,0]=4 3452 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,0,0,0,0|3,0,0]=4 3453 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,0,0,0,0|3,0,0]=4 3454 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,1,0,0,0,0|2,0,1]=4 3455 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,1,0,0,0,0|2,0,1]=4 3456 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,0,0,0,0|3,0,0]=4 3457 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,0,0,0,0|3,0,0]=4 3458 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|3,0,0]=4 3459 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|3,0,0]=4 3460 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,0,0,0,0|3,0,0]=4 3461 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|3,0,0]=4 3462 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|3,0,0]=4 3463 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|3,0,0]=4 3464 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|3,0,0]=4 3465 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|3,0,0]=4 3466 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|3,0,0]=4 3467 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,0,0,0,0|3,0,0]=4 3468 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,0,0,0,0|3,0,0]=4 3469 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|3,0,0]=4 3470 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|3,0,0]=4 3471 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|3,0,0]=4 3472 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|3,0,0]=4 3473 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|3,0,0]=4 3474 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|3,0,0]=4 3475 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|3,0,0]=4 3476 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|3,0,0]=4 3477 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,1,0,0,0,0|2,0,1]=4 3478 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,1,0,0,0,0|2,0,1]=4 3479 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,0,0,0,0|3,0,0]=4 3480 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,0,0,0,0|3,0,0]=4 3481 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|3,0,0]=4 3482 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|3,0,0]=4 3483 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,1,0,0,0,0|3,0,0]=4 3484 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,1,0,0,0,0|3,0,0]=4 3485 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,1,0,0,0,0|3,0,0]=4 3486 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,0,0,0,0|3,0,0]=4 3487 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,0,0,0,0|3,0,0]=4 3488 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,1,0,0,0,0|3,0,0]=4 3489 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,1,0,0,0,0|3,0,0]=4 3490 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,1,0,0,0,0|2,0,1]=4 3491 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,1,0,0,0,0|2,0,1]=4 3492 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,1,0,0,0,0|3,0,0]=4 3493 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,1,0,0,0,0|3,0,0]=4 3494 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,0,0,0,0|3,0,0]=4 3495 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,0,0,0,0|3,0,0]=4 3496 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,1,0,0,0,0|2,0,1]=4 3497 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,1,0,0,0,0|2,0,1]=4 3498 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,1,0,0,0,0|2,0,1]=4 3499 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,1,0,0,0,0|1,0,2]=4 3500 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,1,0,0,0,0|2,0,1]=4 3501 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|1,0,2]=4 3502 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,1,0,0,0,0|2,0,0]=3 3503 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,1,0,0,0,0|2,0,0]=3 3504 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,1,0,0,0,0|2,0,1]=4 3505 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,1,0,0,0,0|2,0,1]=4 3506 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,1,0,0,0,0|2,0,1]=4 3507 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,1,0,0,0,0|2,0,1]=4 3508 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,1,0,0,0,0|2,0,1]=4 3509 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,1,0,0,0,0|2,0,1]=4 3510 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|1,0,2]=4 3511 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|1,0,2]=4 3512 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,1,0,0,0,0|2,0,1]=4 3513 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,1,0,0,0,0|1,0,0]=2 3514 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,1,0,0,0,0|1,0,0]=2 3515 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,1,0,0,0,0|2,0,1]=4 3516 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,1,0,0,0,0|2,0,1]=4 3517 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,1,0,0,0,0|2,0,1]=4 3518 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,1,0,0,0,0|2,0,1]=4 3519 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|1,0,2]=4 3520 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|1,0,2]=4 3521 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [0,1,0,0,0,0|2,0,1]=4 3522 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [0,1,0,0,0,0|2,0,1]=4 3523 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,1,0,0,0,0|1,0,0]=2 3524 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,1,0,0,0,0|1,0,0]=2 3525 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,1,0,0,0,0|2,0,1]=4 3526 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,1,0,0,0,0|2,0,1]=4 3527 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|1,0,2]=4 3528 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|1,0,2]=4 3529 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,1,0,0,0,0|2,0,1]=4 3530 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,1,0,0,0,0|2,0,1]=4 3531 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,1,0,0,0,0|2,0,1]=4 3532 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,1,0,0,0,0|2,0,1]=4 3533 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,1,0,0,0,0|2,0,1]=4 3534 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,1,0,0,0,0|1,0,2]=4 3535 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,1,0,0,0,0|1,0,2]=4 3536 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,1,0,0,0,0|2,0,1]=4 3537 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,1,0,0,0,0|2,0,1]=4 3538 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,1,0,0,0,0|2,0,1]=4 3539 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,1,0,0,0,0|2,0,1]=4 3540 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,1,0,0,0,0|2,0,1]=4 3541 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,1,0,0,0,0|2,0,1]=4 3542 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,1,0,0,0,0|2,0,1]=4 3543 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,1,0,0,0,0|1,0,2]=4 3544 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,1,0,0,0,0|1,0,2]=4 3545 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,1,0,0,0,0|3,0,0]=4 3546 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,1,0,0,0,0|2,0,1]=4 3547 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,1,0,0,0,0|2,0,1]=4 3548 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,1,0,0,0,0|2,0,1]=4 3549 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,1,0,0,0,0|2,0,1]=4 3550 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,1,0,0,0,0|1,0,2]=4 3551 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,1,0,0,0,0|1,0,2]=4 3552 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,1,0,0,0,0|1,0,2]=4 3553 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,1,0,0,0,0|1,0,2]=4 3554 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,1,0,0,0,0|1,0,2]=4 3555 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,1,0,0,0,0|2,0,1]=4 3556 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|1,0,0]=2 3557 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,1,0,0,0,0|2,0,1]=4 3558 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,1,0,0,0,0|2,0,1]=4 3559 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,1,0,0,0,0|2,0,1]=4 3560 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,1,0,0,0,0|2,0,1]=4 3561 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,1,0,0,0,0|2,0,1]=4 3562 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,1,0,0,0,0|2,0,1]=4 3563 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,1,0,0,0,0|2,0,1]=4 3564 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,1,0,0,0,0|2,0,1]=4 3565 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,1,0,0,0,0|2,0,1]=4 3566 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,1,0,0,0,0|1,0,2]=4 3567 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,1,0,0,0,0|1,0,2]=4 3568 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,1,0,0,0,0|2,0,1]=4 3569 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,1,0,0,0,0|2,0,1]=4 3570 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|1,0,0]=2 3571 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|1,0,0]=2 3572 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,1,0,0,0,0|2,0,1]=4 3573 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,1,0,0,0,0|2,0,1]=4 3574 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,1,0,0,0,0|1,0,2]=4 3575 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,1,0,0,0,0|1,0,2]=4 3576 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [0,1,0,0,0,0|2,0,1]=4 3577 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [0,1,0,0,0,0|2,0,1]=4 3578 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,1,0,0,0,0|1,0,0]=2 3579 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,1,0,0,0,0|2,0,1]=4 3580 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,1,0,0,0,0|2,0,1]=4 3581 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|1,0,2]=4 3582 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|1,0,2]=4 3583 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|1,0,2]=4 3584 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|1,0,2]=4 3585 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|1,0,2]=4 3586 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,1,0,0,0,0|2,0,1]=4 3588 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,1,0,0,0,0|2,0,1]=4 3589 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,1,0,0,0,0|2,0,1]=4 3590 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,1,0,0,0,0|2,0,1]=4 3591 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,1,0,0,0,0|2,0,1]=4 3592 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,1,0,0,0,0|2,0,1]=4 3593 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,1,0,0,0,0|2,0,1]=4 3594 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,1,0,0,0,0|2,0,1]=4 3595 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|1,0,2]=4 3596 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,1,0,0,0,0|2,0,0]=3 3597 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,1,0,0,0,0|2,0,0]=3 3598 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [0,1,0,0,0,0|2,0,1]=4 3599 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [0,1,0,0,0,0|2,0,1]=4 3600 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,1,0,0,0,0|1,0,0]=2 3601 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,1,0,0,0,0|1,0,0]=2 3602 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,1,0,0,0,0|2,0,1]=4 3603 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,1,0,0,0,0|2,0,1]=4 3604 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|1,0,2]=4 3605 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|1,0,2]=4 3606 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [0,1,0,0,0,0|2,0,0]=3 3607 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [0,1,0,0,0,0|2,0,0]=3 3608 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [0,1,0,0,0,0|2,0,1]=4 3609 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,1,0,0,0,0|1,0,0]=2 3610 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,1,0,0,0,0|2,0,1]=4 3611 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,1,0,0,0,0|2,0,1]=4 3612 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|1,0,2]=4 3613 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|1,0,2]=4 3614 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|1,0,2]=4 3615 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|1,0,2]=4 3616 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 3617 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [0,1,0,0,0,0|2,0,0]=3 3618 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,1,0,0,0,0|2,0,1]=4 3619 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,1,0,0,0,0|2,0,1]=4 3620 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,1,0,0,0,0|2,0,1]=4 3621 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,1,0,0,0,0|2,0,1]=4 3622 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,1,0,0,0,0|2,0,1]=4 3623 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,1,0,0,0,0|2,0,1]=4 3624 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,1,0,0,0,0|2,0,1]=4 3625 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,1,0,0,0,0|2,0,1]=4 3626 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,0,0,0,0|1,0,2]=4 3627 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [0,1,0,0,0,0|2,0,0]=3 3628 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [0,1,0,0,0,0|2,0,0]=3 3629 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [0,1,0,0,0,0|2,0,0]=3 3630 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [0,1,0,0,0,0|2,0,0]=3 3631 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [0,1,0,0,0,0|2,0,1]=4 3632 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [0,1,0,0,0,0|2,0,1]=4 3633 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,1,0,0,0,0|1,0,0]=2 3634 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,1,0,0,0,0|1,0,0]=2 3635 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,1,0,0,0,0|2,0,1]=4 3636 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,1,0,0,0,0|2,0,1]=4 3637 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,1,0,0,0,0|1,0,2]=4 3638 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,1,0,0,0,0|1,0,2]=4 3639 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,1,0,0,0,0|2,0,1]=4 3640 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|1,0,2]=4 3641 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,1,0,0,0,0|2,0,1]=4 3642 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,1,0,0,0,0|2,0,1]=4 3643 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,1,0,0,0,0|2,0,1]=4 3644 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,1,0,0,0,0|2,0,1]=4 3645 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,1,0,0,0,0|2,0,1]=4 3646 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,1,0,0,0,0|2,0,1]=4 3647 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,1,0,0,0,0|3,0,0]=4 3648 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,1,0,0,0,0|2,0,1]=4 3649 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,1,0,0,0,0|2,0,1]=4 3650 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,1,0,0,0,0|2,0,1]=4 3651 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,1,0,0,0,0|2,0,1]=4 3652 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|1,0,2]=4 3653 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|1,0,2]=4 3654 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,1,0,0,0,0|2,0,1]=4 3655 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|1,0,0]=2 3656 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,1,0,0,0,0|2,0,1]=4 3657 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|1,0,2]=4 3658 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|1,0,2]=4 3659 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,2]=4 3660 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,1,0,0,0,0|2,0,1]=4 3661 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 3662 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 3663 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,1,0,0,0,0|2,0,1]=4 3664 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,1,0,0,0,0|2,0,1]=4 3665 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,1,0,0,0,0|2,0,1]=4 3666 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,1,0,0,0,0|2,0,1]=4 3667 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,1,0,0,0,0|2,0,1]=4 3668 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,1,0,0,0,0|2,0,1]=4 3669 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|1,0,0]=2 3670 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|1,0,0]=2 3671 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,1,0,0,0,0|2,0,1]=4 3672 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,1,0,0,0,0|2,0,1]=4 3673 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|1,0,2]=4 3674 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|1,0,2]=4 3675 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [0,1,0,0,0,0|2,0,1]=4 3676 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,1,0,0,0,0|1,0,0]=2 3677 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 3678 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 3679 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|1,0,2]=4 3680 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|1,0,2]=4 3681 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|1,0,2]=4 3682 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|1,0,2]=4 3683 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 3684 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 3685 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 3686 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 3687 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 3688 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 3689 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,1]=4 3690 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [0,1,0,0,0,0|2,0,1]=4 3691 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [0,1,0,0,0,0|2,0,1]=4 3692 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,1,0,0,0,0|1,0,0]=2 3693 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,1,0,0,0,0|1,0,0]=2 3694 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|2,0,1]=4 3695 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|2,0,1]=4 3696 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|1,0,2]=4 3697 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|1,0,2]=4 3698 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,1,0,0,0,0|1,0,2]=4 3699 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,0,0,0,0|1,0,2]=4 3700 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|1,0,2]=4 3701 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 3702 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 3703 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|1,0,2]=4 3704 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,1,0,0,0,0|1,0,2]=4 3705 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,1,0,0,0,0|1,0,2]=4 3706 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,1,0,0,0,0|1,0,2]=4 3707 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,1,0,0,0,0|1,0,2]=4 3708 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 3709 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 3710 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,1,0,0,0,0|1,0,2]=4 3711 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,1,0,0,0,0|1,0,2]=4 3712 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,1,0,0,0,0|1,0,2]=4 3713 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,2]=4 3714 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,2]=4 3715 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,1,0,0,0,0|1,0,2]=4 3716 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,1,0,0,0,0|1,0,2]=4 3717 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,1,0,0,0,0|1,0,2]=4 3718 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,1,0,0,0,0|1,0,2]=4 3719 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,1,0,0,0,0|2,0,1]=4 3720 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,1,0,0,0,0|2,0,1]=4 3721 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,1,0,0,0,0|2,0,1]=4 3722 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,1,0,0,0,0|1,0,2]=4 3723 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,1,0,0,0,0|2,0,1]=4 3724 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,1,0,0,0,0|2,0,1]=4 3725 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 3726 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 3727 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,1,0,0,0,0|2,0,1]=4 3728 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,1,0,0,0,0|2,0,1]=4 3729 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,1,0,0,0,0|1,0,2]=4 3730 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,1,0,0,0,0|1,0,2]=4 3731 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,1,0,0,0,0|1,0,2]=4 3732 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,1,0,0,0,0|1,0,2]=4 3733 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,1,0,0,0,0|2,0,1]=4 3734 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,1,0,0,0,0|2,0,1]=4 3735 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|2,0,1]=4 3736 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|2,0,1]=4 3737 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 3738 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 3739 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,1,0,0,0,0|1,0,2]=4 3740 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 3741 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 3742 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,1,0,0,0,0|1,0,2]=4 3743 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,1,0,0,0,0|1,0,2]=4 3744 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,1,0,0,0,0|1,0,2]=4 3745 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,1,0,0,0,0|1,0,2]=4 3746 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,1,0,0,0,0|1,0,2]=4 3747 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,1,0,0,0,0|1,0,2]=4 3748 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,1,0,0,0,0|1,0,2]=4 3749 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 3750 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 3751 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,1,0,0,0,0|1,0,2]=4 3752 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,1,0,0,0,0|1,0,2]=4 3753 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,1,0,0,0,0|1,0,2]=4 3754 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,1,0,0,0,0|1,0,2]=4 3755 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|0,0,2]=3 3756 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|0,0,2]=3 3757 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|0,0,2]=3 3758 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,1,0,0,0,0|2,0,1]=4 3759 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|0,0,2]=3 3760 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|0,0,2]=3 3761 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|0,0,0]=1 3762 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|0,0,0]=1 3763 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|0,0,0]=1 3764 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3765 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3766 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3767 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3768 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3769 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3770 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,0]=2 3771 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,0]=2 3772 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,0]=2 3773 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,0]=2 3774 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|2,0,1]=4 3775 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|2,0,1]=4 3776 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|2,0,1]=4 3777 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 3778 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|2,0,1]=4 3779 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 3780 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|2,0,1]=4 3781 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|2,0,1]=4 3782 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,0]=2 3783 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,0]=2 3784 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|1,0,0]=2 3785 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|2,0,1]=4 3786 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 3787 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|2,0,1]=4 3788 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 3789 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|1,0,2]=4 3790 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|1,0,2]=4 3791 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|1,0,2]=4 3792 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,1,0,0,0,0|2,0,1]=4 3793 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,1,0,0,0,0|2,0,1]=4 3794 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|1,0,2]=4 3795 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|1,0,0]=2 3796 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,0]=2 3797 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,0]=2 3798 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,0]=2 3799 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|2,0,1]=4 3800 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|2,0,1]=4 3801 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|2,0,1]=4 3802 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|2,0,1]=4 3803 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|2,0,1]=4 3804 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|1,0,2]=4 3805 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|1,0,2]=4 3806 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|2,0,1]=4 3807 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|2,0,1]=4 3808 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|2,0,1]=4 3809 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|2,0,1]=4 3810 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|2,0,1]=4 3811 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|1,0,2]=4 3812 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|1,0,2]=4 3813 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,0,0,0,0|2,0,0]=3 3814 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,0]=2 3815 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,0]=2 3816 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|1,0,0]=2 3817 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|1,0,0]=2 3818 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|2,0,1]=4 3819 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|2,0,1]=4 3820 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|1,0,2]=4 3821 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|1,0,2]=4 3822 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,1,0,0,0,0|2,0,1]=4 3823 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,1,0,0,0,0|2,0,1]=4 3824 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|1,0,2]=4 3825 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|1,0,2]=4 3826 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,0,0,0,0|2,0,0]=3 3827 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,1,0,0,0,0|2,0,1]=4 3828 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,1,0,0,0,0|2,0,1]=4 3829 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,0]=2 3830 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,1,0,0,0,0|2,0,1]=4 3831 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,1,0,0,0,0|2,0,1]=4 3832 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|1,0,2]=4 3833 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|1,0,2]=4 3834 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|2,0,0]=3 3835 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,1,0,0,0,0|2,0,1]=4 3836 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,1,0,0,0,0|2,0,1]=4 3837 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,1,0,0,0,0|2,0,1]=4 3838 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,0]=2 3839 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,0]=2 3840 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,0]=2 3841 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,0]=2 3842 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,0]=2 3843 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,0]=2 3844 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,0]=2 3845 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,1,0,0,0,0|2,0,1]=4 3846 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,1,0,0,0,0|2,0,1]=4 3847 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,1,0,0,0,0|2,0,1]=4 3848 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,1,0,0,0,0|2,0,1]=4 3849 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,1,0,0,0,0|2,0,1]=4 3850 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|1,0,2]=4 3851 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|1,0,2]=4 3852 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,1,0,0,0,0|2,0,1]=4 3853 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,1,0,0,0,0|3,0,0]=4 3854 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,1]=4 3855 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|2,0,0]=3 3856 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,1,0,0,0,0|2,0,1]=4 3857 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,1,0,0,0,0|2,0,1]=4 3858 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,0]=2 3859 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,0]=2 3860 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,0]=2 3861 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,0]=2 3862 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,1,0,0,0,0|2,0,1]=4 3863 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,1,0,0,0,0|2,0,1]=4 3864 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|1,0,2]=4 3865 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|1,0,2]=4 3866 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,1,0,0,0,0|3,0,0]=4 3867 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|2,0,0]=3 3868 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|2,0,0]=3 3869 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,1,0,0,0,0|2,0,1]=4 3870 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,1,0,0,0,0|2,0,1]=4 3871 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,1,0,0,0,0|2,0,1]=4 3872 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,1,0,0,0,0|2,0,1]=4 3873 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,0]=2 3874 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,0]=2 3875 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,0]=2 3876 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,1,0,0,0,0|2,0,1]=4 3877 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,1,0,0,0,0|2,0,1]=4 3878 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,1,0,0,0,0|2,0,1]=4 3879 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,1,0,0,0,0|2,0,1]=4 3880 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|1,0,2]=4 3881 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|1,0,2]=4 3882 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,1,0,0,0,0|3,0,0]=4 3883 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|2,0,0]=3 3884 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|2,0,0]=3 3885 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|2,0,0]=3 3886 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|2,0,0]=3 3887 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,1,0,0,0,0|2,0,0]=3 3888 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,1,0,0,0,0|2,0,0]=3 3889 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,1,0,0,0,0|2,0,0]=3 3890 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|2,0,0]=3 3891 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,0,0,0,0|2,0,0]=3 3892 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,0,0,0,0|2,0,1]=4 3893 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,0,0,0,0|2,0,1]=4 3894 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,1,0,0,0,0|2,0,1]=4 3895 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,1,0,0,0,0|2,0,1]=4 3896 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,0]=2 3897 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,0]=2 3898 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,0]=2 3899 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,0]=2 3900 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,0]=2 3901 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,0]=2 3902 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,1,0,0,0,0|2,0,1]=4 3903 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,1,0,0,0,0|2,0,1]=4 3904 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,1,0,0,0,0|2,0,1]=4 3905 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,1,0,0,0,0|2,0,1]=4 3906 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|1,0,2]=4 3907 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|1,0,2]=4 3908 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,1,0,0,0,0|3,0,0]=4 3909 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,0,0,0,0|2,0,0]=3 3910 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|2,0,0]=3 3911 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|2,0,0]=3 3912 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,0,0,0,0|2,0,0]=3 3913 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,0,0,0,0|2,0,0]=3 3914 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|2,0,0]=3 3915 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|2,0,0]=3 3916 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|2,0,0]=3 3917 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|2,0,0]=3 3918 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|2,0,0]=3 3919 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,0,0,0,0|2,0,0]=3 3920 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|2,0,0]=3 3921 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|2,0,0]=3 3922 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,0,0,0,0|2,0,0]=3 3923 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,0,0,0,0|2,0,0]=3 3924 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,0,0,0,0|2,0,0]=3 3925 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,0,0,0,0|2,0,0]=3 3926 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,1,0,0,0,0|3,0,0]=4 3927 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,1,0,0,0,0|2,0,1]=4 3928 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,1,0,0,0,0|2,0,1]=4 3929 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,1,0,0,0,0|2,0,1]=4 3930 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,1,0,0,0,0|2,0,1]=4 3931 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,0]=2 3932 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,0]=2 3933 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,0]=2 3934 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,0]=2 3935 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,1,0,0,0,0|2,0,1]=4 3936 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,1,0,0,0,0|2,0,1]=4 3937 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|1,0,2]=4 3938 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|1,0,2]=4 3939 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,1,0,0,0,0|3,0,0]=4 3940 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|2,0,0]=3 3941 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|2,0,0]=3 3942 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|2,0,0]=3 3943 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|2,0,0]=3 3944 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|2,0,0]=3 3945 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|2,0,0]=3 3946 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,1,0,0,0,0|2,0,0]=3 3947 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,1,0,0,0,0|2,0,0]=3 3948 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|2,0,0]=3 3949 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|2,0,0]=3 3950 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,0,0,0,0|2,0,0]=3 3951 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,0,0,0,0|2,0,0]=3 3952 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,0]=2 3953 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|2,0,0]=3 3954 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,0]=3 3955 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,0,0,0,0|2,0,1]=4 3956 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,0]=2 3957 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,0]=2 3958 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,0]=2 3959 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|2,0,1]=4 3960 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 3961 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 3962 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,0,0,0,0|2,0,0]=3 3963 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,0,0,0,0|2,0,0]=3 3964 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|2,0,0]=3 3965 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|2,0,0]=3 3966 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|2,0,0]=3 3967 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|2,0,0]=3 3968 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|2,0,0]=3 3969 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,0,0,0,0|2,1,0]=4 3970 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|2,0,0]=3 3971 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,0,0,0,0|2,0,0]=3 3972 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,0,0,0,0|2,0,0]=3 3973 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,0,0,0,0|2,0,0]=3 3974 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|2,0,0]=3 3975 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,0,0,0,0|2,0,0]=3 3976 B10R0.4 CCCOCCNC[N+](=O)[O-] 34a_100161115042_100000761209 [0,1,0,0,0,0|3,0,0]=4 3977 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|2,0,0]=3 3978 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|2,0,0]=3 3979 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|2,0,0]=3 3980 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|2,0,0]=3 3981 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|2,0,0]=3 3982 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,1,0,0,0,0|3,0,0]=4 3983 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,0,0,0,0|2,0,0]=3 3984 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,0,0,0,0|2,0,0]=3 3985 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,0,0,0,0|2,0,0]=3 3986 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,0,0,0,0|2,0,0]=3 3987 B10R0.4 CCCOCCSC[N+](=O)[O-] 62a_100011215938_100000761209 [0,1,0,0,0,0|3,0,0]=4 3988 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,0,0,0,0|2,0,1]=4 3989 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,0,0,0,0|2,0,1]=4 3990 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,0]=2 3991 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,0]=2 3992 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|2,0,1]=4 3993 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|2,0,1]=4 3994 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,1,0,0,0,0|3,0,0]=4 3995 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|2,0,0]=3 3996 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|2,0,0]=3 3997 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,0,0,0,0|2,1,0]=4 3998 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,0,0,0,0|2,1,0]=4 3999 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|2,0,0]=3 4000 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|2,0,0]=3 4001 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,0,0,0,0|2,0,0]=3 4002 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|2,0,0]=3 4003 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|2,0,0]=3 4004 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|2,0,0]=3 4005 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|2,0,0]=3 4006 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|2,0,0]=3 4007 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,1,0,0,0,0|3,0,0]=4 4008 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,0,0,0,0|2,0,1]=4 4009 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,0]=2 4010 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|2,0,1]=4 4011 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|2,0,1]=4 4012 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|2,0,1]=4 4013 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|2,0,0]=3 4014 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|2,0,0]=3 4015 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|2,0,0]=3 4016 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,0,0,0,0|2,0,1]=4 4017 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,0]=2 4018 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,0]=2 4019 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,0]=2 4020 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|1,0,0]=2 4021 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 4022 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|2,0,1]=4 4023 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 4024 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|2,0,0]=3 4025 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|2,0,0]=3 4026 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|2,0,0]=3 4027 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,1,0,0,0,0|3,0,0]=4 4028 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|2,0,0]=3 4029 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,0,0,0,0|2,0,0]=3 4030 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,0,0,0,0|2,0,0]=3 4031 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,0,0,0,0|2,0,0]=3 4032 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|2,0,0]=3 4033 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,0,0,0,0|2,0,0]=3 4034 B10R0.4 CCOCCCNC[N+](=O)[O-] 34a_100000210961_100000761209 [0,1,0,0,0,0|3,0,0]=4 4035 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|2,0,0]=3 4036 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,0,0,0,0|2,0,0]=3 4037 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,0,0,0,0|2,0,0]=3 4038 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,0,0,0,0|2,0,0]=3 4039 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,1,0,0,0,0|3,0,0]=4 4040 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,0,0,0,0|2,0,0]=3 4041 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,0,0,0,0|2,0,0]=3 4042 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,0,0,0,0|2,0,0]=3 4043 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,0,0,0,0|2,0,0]=3 4044 B10R0.4 CCOCCCSC[N+](=O)[O-] 62a_100012232248_100000761209 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,1,0,0,0,0|2,0,0]=3 4046 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,1,0,0,0,0|2,0,0]=3 4047 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,1,0,0,0,0|3,0,0]=4 4048 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,1,0,0,0,0|3,0,0]=4 4049 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|2,0,0]=3 4050 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|2,0,0]=3 4051 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|2,0,0]=3 4052 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|2,0,0]=3 4053 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,0,0,0,0|2,0,0]=3 4054 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,0,0,0,0|2,0,0]=3 4055 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,0,0,0,0|2,0,0]=3 4056 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,0,0,0,0|2,0,0]=3 4057 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,0,0,0,0|3,0,0]=4 4058 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|2,0,0]=3 4059 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|2,0,0]=3 4060 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,1,0,0,0,0|2,0,0]=3 4061 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,1,0,0,0,0|2,0,0]=3 4062 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,1,0,0,0,0|3,0,0]=4 4063 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,1,0,0,0,0|3,0,0]=4 4064 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,0,0,0,0|3,0,0]=4 4065 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|2,0,0]=3 4066 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|2,0,0]=3 4067 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,1,0,0,0,0|2,0,0]=3 4068 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,1,0,0,0,0|2,0,0]=3 4069 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,1,0,0,0,0|3,0,0]=4 4070 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,1,0,0,0,0|3,0,0]=4 4071 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,1,0,0,0,0|3,0,0]=4 4072 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,1,0,0,0,0|3,0,0]=4 4073 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,1,0,0,0,0|3,0,0]=4 4074 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,1,0,0,0,0|3,0,0]=4 4075 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,1,0,0,0,0|3,0,0]=4 4076 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,1,0,0,0,0|3,0,0]=4 4077 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,0,0,0,0|2,0,1]=4 4078 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,0,0,0,0|2,0,1]=4 4079 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,0]=2 4080 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,0]=2 4081 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|2,0,1]=4 4082 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|2,0,1]=4 4083 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|2,0,0]=3 4084 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|2,0,0]=3 4085 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,1,0,0,0,0|3,0,0]=4 4086 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|2,0,0]=3 4087 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|2,0,0]=3 4088 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,0,0,0,0|2,0,0]=3 4089 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,0,0,0,0|2,0,0]=3 4090 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,0,0,0,0|2,0,0]=3 4091 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,1,0,0,0,0|2,0,0]=3 4093 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,1,0,0,0,0|3,0,0]=4 4094 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|2,0,0]=3 4095 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|2,0,0]=3 4096 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|2,0,0]=3 4097 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,0,0,0,0|2,0,0]=3 4098 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,0,0,0,0|2,0,0]=3 4099 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,0,0,0,0|2,0,0]=3 4100 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,0,0,0,0|2,0,0]=3 4101 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,0,0,0,0|3,0,0]=4 4102 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|2,0,0]=3 4103 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|2,0,0]=3 4104 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,1,0,0,0,0|2,0,0]=3 4105 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,1,0,0,0,0|2,0,0]=3 4106 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,1,0,0,0,0|3,0,0]=4 4107 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,1,0,0,0,0|3,0,0]=4 4108 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,0,0,0,0|3,0,0]=4 4109 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,0,0,0,0|3,0,0]=4 4110 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,1,0,0,0,0|2,0,1]=4 4111 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,1,0,0,0,0|2,0,1]=4 4112 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|1,0,2]=4 4113 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|1,0,2]=4 4114 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [0,1,0,0,0,0|2,0,0]=3 4115 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [0,1,0,0,0,0|2,0,0]=3 4116 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,1,0,0,0,0|2,0,1]=4 4117 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,1,0,0,0,0|2,0,1]=4 4118 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,1,0,0,0,0|2,0,1]=4 4119 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,1,0,0,0,0|2,0,0]=3 4120 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,1,0,0,0,0|2,0,0]=3 4121 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|2,0,0]=3 4122 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|2,0,0]=3 4123 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|2,0,0]=3 4124 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|2,0,0]=3 4125 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|2,0,0]=3 4126 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 4127 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,0,0,0,0|2,0,0]=3 4128 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,1,0,0,0,0|3,0,0]=4 4129 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,1,0,0,0,0|3,0,0]=4 4130 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|3,0,0]=4 4131 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|3,0,0]=4 4132 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|3,0,0]=4 4133 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|3,0,0]=4 4134 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,1,0,0,0,0|2,0,1]=4 4135 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,0]=2 4136 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 4137 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 4138 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|2,0,0]=3 4139 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|2,0,0]=3 4140 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|2,0,0]=3 4141 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|2,0,0]=3 4142 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,1,0,0,0,0|3,0,0]=4 4143 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,1,0,0,0,0|3,0,0]=4 4144 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 4145 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|2,0,0]=3 4146 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,0,0,0,0|2,0,0]=3 4147 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|2,0,0]=3 4148 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,1,0,0,0,0|3,0,0]=4 4149 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,1,0,0,0,0|3,0,0]=4 4150 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,1,0,0,0,0|3,0,0]=4 4151 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,1,0,0,0,0|3,0,0]=4 4152 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|2,0,0]=3 4153 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,0,0,0,0|2,0,0]=3 4154 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,0,0,0,0|2,0,0]=3 4155 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,1,0,0,0,0|3,0,0]=4 4156 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,1,0,0,0,0|3,0,0]=4 4157 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,1,0,0,0,0|3,0,0]=4 4158 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,1,0,0,0,0|3,0,0]=4 4159 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|3,0,0]=4 4160 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,1,0,0,0,0|3,0,0]=4 4161 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,1,0,0,0,0|3,0,0]=4 4162 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|3,0,0]=4 4163 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,1,0,0,0,0|3,0,0]=4 4164 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,0,0,0,0|2,0,0]=3 4165 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,0,0,0,0|2,0,0]=3 4166 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,0,0,0,0|2,0,0]=3 4167 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,0,0,0,0|2,0,0]=3 4168 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,1,0,0,0,0|3,0,0]=4 4169 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,1,0,0,0,0|3,0,0]=4 4170 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,1,0,0,0,0|3,0,0]=4 4171 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,1,0,0,0,0|3,0,0]=4 4172 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,1,0,0,0,0|3,0,0]=4 4173 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,1,0,0,0,0|3,0,0]=4 4174 B10R0.4 COCCCCSC[N+](=O)[O-] 62a_100000730899_100000761209 [0,1,0,0,0,0|3,0,0]=4 4175 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,1,0,0,0,0|2,0,0]=3 4176 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,1,0,0,0,0|3,0,0]=4 4177 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,1,0,0,0,0|3,0,0]=4 4178 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,1,0,0,0,0|3,0,0]=4 4179 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,1,0,0,0,0|3,0,0]=4 4180 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,0,0,0,0|3,0,0]=4 4181 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,1,0,0,0,0|3,0,0]=4 4182 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|2,0,0]=3 4183 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|2,0,0]=3 4184 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,0,0,0,0|2,0,0]=3 4185 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,0,0,0,0|2,0,0]=3 4186 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,0,0,0,0|2,0,0]=3 4187 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,1,0,0,0,0|3,0,0]=4 4188 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,1,0,0,0,0|3,0,0]=4 4189 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,1,0,0,0,0|3,0,0]=4 4190 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,1,0,0,0,0|3,0,0]=4 4191 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,1,0,0,0,0|3,0,0]=4 4192 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,1,0,0,0,0|3,0,0]=4 4193 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|3,0,0]=4 4194 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|2,0,0]=3 4195 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|2,0,0]=3 4196 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,1,0,0,0,0|2,0,0]=3 4197 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,1,0,0,0,0|2,0,0]=3 4198 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,1,0,0,0,0|3,0,0]=4 4199 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,1,0,0,0,0|3,0,0]=4 4200 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,1,0,0,0,0|3,0,0]=4 4201 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,1,0,0,0,0|3,0,0]=4 4202 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,0,0,0,0|3,0,0]=4 4203 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,0,0,0,0|3,0,0]=4 4204 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,1,0,0,0,0|2,0,0]=3 4205 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,1,0,0,0,0|3,0,0]=4 4206 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,1,0,0,0,0|3,0,0]=4 4207 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,1,0,0,0,0|3,0,0]=4 4208 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,1,0,0,0,0|3,0,0]=4 4209 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,1,0,0,0,0|3,0,0]=4 4210 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,0,0,0,0|3,0,0]=4 4211 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,0,0,0,0|3,0,0]=4 4212 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,1,0,0,0,0|3,0,0]=4 4213 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,1,0,0,0,0|3,0,0]=4 4214 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|2,0,0]=3 4215 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|2,0,0]=3 4216 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|2,0,0]=3 4217 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|2,0,0]=3 4218 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,0,0,0,0|2,0,0]=3 4219 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,1,0,0,0,0|3,0,0]=4 4220 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,1,0,0,0,0|3,0,0]=4 4221 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,1,0,0,0,0|3,0,0]=4 4222 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,1,0,0,0,0|3,0,0]=4 4223 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,1,0,0,0,0|3,0,0]=4 4224 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|3,0,0]=4 4225 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|3,0,0]=4 4226 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|3,0,0]=4 4227 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|3,0,0]=4 4228 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|3,0,0]=4 4229 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,1,0,0,0,0|3,0,0]=4 4230 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|3,0,0]=4 4231 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|3,0,0]=4 4232 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,1,0,0,0,0|3,0,0]=4 4233 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,1,0,0,0,0|3,0,0]=4 4234 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,1,0,0,0,0|3,0,0]=4 4235 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,1,0,0,0,0|3,0,0]=4 4236 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,1,0,0,0,0|3,0,0]=4 4237 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,1,0,0,0,0|3,0,0]=4 4238 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,1,0,0,0,0|3,0,0]=4 4239 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,1,0,0,0,0|3,0,0]=4 4240 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|2,0,0]=3 4241 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|2,0,0]=3 4242 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,1,0,0,0,0|2,0,0]=3 4243 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,1,0,0,0,0|2,0,0]=3 4244 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,1,0,0,0,0|3,0,0]=4 4245 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,1,0,0,0,0|3,0,0]=4 4246 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,1,0,0,0,0|3,0,0]=4 4247 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,1,0,0,0,0|3,0,0]=4 4248 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,0,0,0,0|3,0,0]=4 4249 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,0,0,0,0|3,0,0]=4 4250 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,1,0,0,0,0|3,0,0]=4 4251 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,1,0,0,0,0|3,0,0]=4 4252 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,0,0,0,0|3,0,0]=4 4253 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,0,0,0,0|3,0,0]=4 4254 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,1,0,0,0,0|3,0,0]=4 4255 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,1,0,0,0,0|3,0,0]=4 4256 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,1,0,0,0,0|3,0,0]=4 4257 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|2,0,0]=3 4258 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|2,0,0]=3 4259 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,1,0,0,0,0|3,0,0]=4 4260 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,1,0,0,0,0|3,0,0]=4 4261 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,0,0,0,0|3,0,0]=4 4262 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,0,0,0,0|3,0,0]=4 4263 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,1,0,0,0,0|3,0,0]=4 4264 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,1,0,0,0,0|3,0,0]=4 4265 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,1,0,0,0,0|3,0,0]=4 4266 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,1,0,0,0,0|3,0,0]=4 4267 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|3,0,0]=4 4268 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|3,0,0]=4 4269 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,1,0,0,0,0|2,0,1]=4 4270 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,1,0,0,0,0|2,0,1]=4 4271 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|2,0,0]=3 4272 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|2,0,0]=3 4273 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,0,0,0,0|2,0,0]=3 4274 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,0,0,0,0|2,0,0]=3 4275 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,0,0,0,0|2,0,0]=3 4276 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,1,0,0,0,0|3,0,0]=4 4277 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,1,0,0,0,0|3,0,0]=4 4278 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|3,0,0]=4 4279 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|3,0,0]=4 4280 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|3,0,0]=4 4281 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|3,0,0]=4 4282 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,1,0,0,0,0|3,0,0]=4 4283 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,1,0,0,0,0|2,0,0]=3 4284 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,1,0,0,0,0|3,0,0]=4 4285 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,1,0,0,0,0|3,0,0]=4 4286 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,1,0,0,0,0|3,0,0]=4 4287 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|2,0,0]=3 4288 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,0,0,0,0|2,0,0]=3 4289 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,0,0,0,0|2,0,0]=3 4290 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,1,0,0,0,0|3,0,0]=4 4291 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,1,0,0,0,0|3,0,0]=4 4292 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,1,0,0,0,0|3,0,0]=4 4293 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,1,0,0,0,0|3,0,0]=4 4294 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|3,0,0]=4 4295 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,1,0,0,0,0|2,0,0]=3 4296 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,1,0,0,0,0|3,0,0]=4 4297 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,1,0,0,0,0|3,0,0]=4 4298 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,1,0,0,0,0|3,0,0]=4 4299 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,1,0,0,0,0|3,0,0]=4 4300 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,1,0,0,0,0|3,0,0]=4 4301 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,0,0,0,0|3,0,0]=4 4302 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,0,0,0,0|3,0,0]=4 4303 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,1,0,0,0,0|3,0,0]=4 4304 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,1,0,0,0,0|3,0,0]=4 4305 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|2,0,0]=3 4306 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|2,0,0]=3 4307 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|2,0,0]=3 4308 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|2,0,0]=3 4309 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,0,0,0,0|2,0,0]=3 4310 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,0,0,0,0|2,0,0]=3 4311 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,1,0,0,0,0|3,0,0]=4 4312 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,1,0,0,0,0|3,0,0]=4 4313 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,1,0,0,0,0|3,0,0]=4 4314 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,1,0,0,0,0|3,0,0]=4 4315 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,1,0,0,0,0|3,0,0]=4 4316 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,1,0,0,0,0|3,0,0]=4 4317 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,1,0,0,0,0|3,0,0]=4 4318 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|3,0,0]=4 4319 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|3,0,0]=4 4320 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,1,0,0,0,0|3,0,0]=4 4321 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,1,0,0,0,0|3,0,0]=4 4322 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|3,0,0]=4 4323 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|3,0,0]=4 4324 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|3,0,0]=4 4325 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|3,0,0]=4 4326 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,1,0,0,0,0|3,0,0]=4 4327 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,1,0,0,0,0|3,0,0]=4 4328 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,1,0,0,0,0|3,0,0]=4 4329 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|2,0,0]=3 4330 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|2,0,0]=3 4331 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,1,0,0,0,0|2,0,0]=3 4332 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,1,0,0,0,0|2,0,0]=3 4333 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,1,0,0,0,0|3,0,0]=4 4334 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,1,0,0,0,0|3,0,0]=4 4335 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,1,0,0,0,0|3,0,0]=4 4336 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,1,0,0,0,0|3,0,0]=4 4337 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,0,0,0,0|3,0,0]=4 4338 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,0,0,0,0|3,0,0]=4 4339 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,1,0,0,0,0|3,0,0]=4 4340 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,1,0,0,0,0|3,0,0]=4 4341 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,0,0,0,0|3,0,0]=4 4342 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,0,0,0,0|3,0,0]=4 4343 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,1,0,0,0,0|3,0,0]=4 4344 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,1,0,0,0,0|3,0,0]=4 4345 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,0,0,0,0|2,0,0]=3 4346 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,1,0,0,0,0|3,0,0]=4 4347 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,1,0,0,0,0|3,0,0]=4 4348 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,0,0,0,0|2,0,0]=3 4349 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,1,0,0,0,0|3,0,0]=4 4350 B10R0.4 CSCOCCCC[N+](=O)[O-] 34a_200015379883_100011218213 [0,1,0,0,0,0|3,0,0]=4 4351 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,1,0,0,0,0|3,0,0]=4 4352 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|2,0,0]=3 4353 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|2,0,0]=3 4354 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,1,0,0,0,0|3,0,0]=4 4355 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,1,0,0,0,0|3,0,0]=4 4356 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,0,0,0,0|3,0,0]=4 4357 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,0,0,0,0|3,0,0]=4 4358 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,1,0,0,0,0|3,0,0]=4 4359 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,1,0,0,0,0|3,0,0]=4 4360 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,1,0,0,0,0|3,0,0]=4 4361 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,1,0,0,0,0|3,0,0]=4 4362 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,1,0,0,0,0|2,0,1]=4 4363 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|1,0,2]=4 4364 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|2,0,1]=4 4365 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|1,0,2]=4 4366 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,1,0,0,0,0|2,0,1]=4 4367 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|1,0,2]=4 4368 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|1,0,2]=4 4369 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|1,0,2]=4 4370 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 4371 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 4372 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 4373 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 4374 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 4375 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 4376 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,1]=4 4377 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [0,1,0,0,0,0|2,0,1]=4 4378 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [0,1,0,0,0,0|2,0,1]=4 4379 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,1,0,0,0,0|1,0,0]=2 4380 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,1,0,0,0,0|1,0,0]=2 4381 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|2,0,1]=4 4382 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|2,0,1]=4 4383 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|1,0,2]=4 4384 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|1,0,2]=4 4385 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,1,0,0,0,0|2,0,1]=4 4386 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,1,0,0,0,0|2,0,1]=4 4387 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,1,0,0,0,0|2,0,1]=4 4388 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,1,0,0,0,0|2,0,1]=4 4389 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,1,0,0,0,0|2,0,1]=4 4390 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,1,0,0,0,0|2,0,1]=4 4391 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,1,0,0,0,0|2,0,1]=4 4392 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,1,0,0,0,0|2,0,1]=4 4393 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,1,0,0,0,0|2,0,1]=4 4394 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,1,0,0,0,0|2,0,1]=4 4395 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,1,0,0,0,0|2,0,1]=4 4396 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,1,0,0,0,0|2,0,1]=4 4397 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,0,0,0,0|2,0,0]=3 4398 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,0,0,0,0|2,0,0]=3 4399 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,0,0,0,0|2,0,0]=3 4400 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,0,0,0,0|2,0,0]=3 4401 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,1,0,0,0,0|2,0,1]=4 4402 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,0,0,0,0|2,0,0]=3 4403 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,0,0,0,0|2,0,0]=3 4404 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,1,0,0,0,0|2,0,1]=4 4405 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,1,0,0,0,0|2,0,1]=4 4406 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,0,0,0,0|2,0,0]=3 4407 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,0,0,0,0|2,0,0]=3 4408 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|2,0,0]=3 4409 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|2,0,0]=3 4410 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,1,0,0,0,0|2,0,0]=3 4411 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,1,0,0,0,0|2,0,0]=3 4412 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,0,0,0,0|2,0,0]=3 4413 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,0,0,0,0|2,0,0]=3 4414 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,0,0,0,0|2,0,0]=3 4415 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,0,0,0,0|2,0,0]=3 4416 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,1,0,0,0,0|2,0,0]=3 4417 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,1,0,0,0,0|2,0,0]=3 4418 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,0,0,0,0|2,0,0]=3 4419 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,0,0,0,0|2,0,0]=3 4420 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,0,0,0,0|2,0,0]=3 4421 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,0]=3 4422 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,1,0,0,0,0|2,0,1]=4 4423 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,0,0,0,0|2,0,0]=3 4424 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,0,0,0,0|2,0,0]=3 4425 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,0,0,0,0|2,0,0]=3 4426 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,0,0,0,0|2,0,0]=3 4427 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,0,0,0,0|2,0,0]=3 4428 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,0,0,0,0|2,0,0]=3 4429 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,0,0,0,0|2,0,0]=3 4430 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,0,0,0,0|2,0,0]=3 4431 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,0,0,0,0|2,0,0]=3 4432 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,0,0,0,0|2,0,0]=3 4433 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,1,0,0,0,0|2,0,1]=4 4434 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,1,0,0,0,0|2,0,1]=4 4435 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,1,0,0,0,0|2,0,0]=3 4436 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,1,0,0,0,0|2,0,0]=3 4437 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,0,0,0,0|2,0,0]=3 4438 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,0,0,0,0|2,0,0]=3 4439 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,1,0,0,0,0|2,0,1]=4 4440 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,0,0,0,0|2,0,0]=3 4441 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,0,0,0,0|2,0,0]=3 4442 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,0,0,0,0|2,0,0]=3 4443 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,0]=3 4444 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,1,0,0,0,0|3,0,0]=4 4445 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,1,0,0,0,0|3,0,0]=4 4446 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,1,0,0,0,0|3,0,0]=4 4447 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,1,0,0,0,0|3,0,0]=4 4448 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,0,0,0,0|2,0,0]=3 4449 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,0,0,0,0|2,0,0]=3 4450 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,0,0,0,0|2,0,0]=3 4451 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,0,0,0,0|2,0,0]=3 4452 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,0,0,0,0|2,0,0]=3 4453 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,0,0,0,0|2,0,0]=3 4454 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,1,0,0,0,0|3,0,0]=4 4455 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,1,0,0,0,0|3,0,0]=4 4456 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,1,0,0,0,0|3,0,0]=4 4457 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,1,0,0,0,0|3,0,0]=4 4458 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,1,0,0,0,0|3,0,0]=4 4459 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,1,0,0,0,0|3,0,0]=4 4460 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,1,0,0,0,0|3,0,0]=4 4461 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,1,0,0,0,0|3,0,0]=4 4462 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,1,0,0,0,0|3,0,0]=4 4463 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,1,0,0,0,0|3,0,0]=4 4464 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,1,0,0,0,0|3,0,0]=4 4465 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,1,0,0,0,0|3,0,0]=4 4466 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,1,0,0,0,0|3,0,0]=4 4467 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,1,0,0,0,0|3,0,0]=4 4468 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,1,0,0,0,0|3,0,0]=4 4469 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,1,0,0,0,0|3,0,0]=4 4470 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,1,0,0,0,0|2,0,1]=4 4471 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,1,0,0,0,0|2,0,1]=4 4472 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,0,0,0,0|2,0,0]=3 4473 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,0,0,0,0|2,0,0]=3 4474 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,0,0,0,0|2,0,0]=3 4475 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,0,0,0,0|2,0,0]=3 4476 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,1,0,0,0,0|3,0,0]=4 4477 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,1,0,0,0,0|3,0,0]=4 4478 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,1,0,0,0,0|3,0,0]=4 4479 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,1,0,0,0,0|3,0,0]=4 4480 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,1,0,0,0,0|3,0,0]=4 4481 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,1,0,0,0,0|3,0,0]=4 4482 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,1,0,0,0,0|3,0,0]=4 4483 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,1,0,0,0,0|3,0,0]=4 4484 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,1,0,0,0,0|3,0,0]=4 4485 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,1,0,0,0,0|3,0,0]=4 4486 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,1,0,0,0,0|3,0,0]=4 4487 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,1,0,0,0,0|3,0,0]=4 4488 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,1,0,0,0,0|3,0,0]=4 4489 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,1,0,0,0,0|3,0,0]=4 4490 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,1,0,0,0,0|3,0,0]=4 4491 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,1,0,0,0,0|3,0,0]=4 4492 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,1,0,0,0,0|3,0,0]=4 4493 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,1,0,0,0,0|3,0,0]=4 4494 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,1,0,0,0,0|3,0,0]=4 4495 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,1,0,0,0,0|3,0,0]=4 4496 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,1,0,0,0,0|3,0,0]=4 4497 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,0]=3 4498 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,0,0,0,0|2,0,0]=3 4499 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,1,0,0,0,0|3,0,0]=4 4500 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,0]=3 4501 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,0,0,0,0|2,0,0]=3 4502 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,1,0,0,0,0|3,0,0]=4 4503 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,1,0,0,0,0|3,0,0]=4 4504 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,1,0,0,0,0|3,0,0]=4 4505 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,1,0,0,0,0|3,0,0]=4 4506 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,1,0,0,0,0|3,0,0]=4 4507 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|2,0,0]=3 4508 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|2,0,0]=3 4509 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,1,0,0,0,0|3,0,0]=4 4510 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,1,0,0,0,0|3,0,0]=4 4511 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,0,0,0,0|3,0,0]=4 4512 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,1,0,0,0,0|3,0,0]=4 4513 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,0,0,0,0|3,0,0]=4 4514 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,0,0,0,0|2,0,0]=3 4515 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,0,0,0,0|2,0,0]=3 4516 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,1,0,0,0,0|3,0,0]=4 4517 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,0,0,0,0|2,0,0]=3 4518 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,0,0,0,0|2,0,0]=3 4519 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,0,0,0,0|2,0,0]=3 4520 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,1,0,0,0,0|3,0,0]=4 4521 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,1,0,0,0,0|3,0,0]=4 4522 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,1,0,0,0,0|3,0,0]=4 4523 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,1,0,0,0,0|3,0,0]=4 4524 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,0,0,0,0|2,0,0]=3 4525 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,0,0,0,0|2,0,0]=3 4526 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,0,0,0,0|2,0,0]=3 4527 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,0,0,0,0|2,0,0]=3 4528 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,1,0,0,0,0|3,0,0]=4 4529 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,1,0,0,0,0|3,0,0]=4 4530 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,0,0,0,0|2,0,1]=4 4531 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,1,0,0,0,0|2,0,1]=4 4532 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,1,0,0,0,0|2,0,1]=4 4533 B10R0.4 O=CCCCCSCC(F)F 62a_100000139335_100011934356 [0,1,0,0,0,0|2,0,0]=3 4534 B10R0.4 O=CCCCCSCC(F)F 62a_100011934356_100000139335 [0,1,0,0,0,0|2,0,0]=3 4535 B10R0.4 O=CCCCCSC[N+](=O)[O-] 62a_100000139335_100000761209 [0,1,0,0,0,0|3,0,0]=4 4536 B10R0.4 O=CCOCCCC[N+](=O)[O-] 34a_200015379883_200009817547 [0,1,0,0,0,0|3,0,0]=4 4537 B10R0.4 O=CCOCCCC[N+](=O)[O-] 7a_200015379883_200015260668 [0,1,0,0,0,0|3,0,0]=4 4538 B10R0.4 O=CCOCCOCC(F)F 34a_100000704375_200009817547 [0,1,0,0,0,0|3,0,0]=4 4539 B10R0.4 O=CCOCCOCC(F)F 7a_100000704375_200015260668 [0,1,0,0,0,0|3,0,0]=4 4540 B10R0.4 O=CCSCCCCB(O)O 62a_200009817182_200015260668 [0,1,0,0,0,0|3,0,0]=4 4541 B10R0.4 O=CCSCCCCB(O)O 62a_200015260668_200009817182 [0,1,0,0,0,0|3,0,0]=4 4542 B10R0.4 O=CCSCCOCC(F)F 62a_200012177212_200015260668 [0,1,0,0,0,0|3,0,0]=4 4543 B10R0.4 O=CCSCCOCC(F)F 62a_200015260668_200012177212 [0,1,0,0,0,0|3,0,0]=4 4544 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,1,0,0,0,0|3,0,0]=4 4545 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,1,0,0,0,0|3,0,0]=4 4546 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,1,0,0,0,0|3,0,0]=4 4547 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,1,0,0,0,0|3,0,0]=4 4548 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,1,0,0,0,0|3,0,0]=4 4549 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,1,0,0,0,0|3,0,0]=4 4550 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,1,0,0,0,0|3,0,0]=4 4551 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,1,0,0,0,0|3,0,0]=4 4552 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,1,0,0,0,0|3,0,0]=4 4553 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,1,0,0,0,0|3,0,0]=4 4554 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,1,0,0,0,0|3,0,0]=4 4555 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,1,0,0,0,0|3,0,0]=4 4556 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|1,0,0]=2 4557 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,1,0,0,0,0|3,0,0]=4 4558 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|3,0,0]=4 4559 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,1,0,0,0,0|2,0,1]=4 4560 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,1,0,0,0,0|2,0,1]=4 4561 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,1,0,0,0,0|1,0,1]=3 4562 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,1,0,0,0,0|1,0,1]=3 4563 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,1,0,0,0,0|1,0,1]=3 4564 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,1,0,0,0,0|1,0,1]=3 4565 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,1,0,0,0,0|1,0,1]=3 4566 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,1,0,0,0,0|1,0,1]=3 4567 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,1,0,0,0,0|1,0,1]=3 4568 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,1,0,0,0,0|1,0,1]=3 4569 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,1,0,0,0,0|1,0,1]=3 4570 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,1,0,0,0,0|1,0,1]=3 4571 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,1,0,0,0,0|1,0,1]=3 4572 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,1,0,0,0,0|1,0,1]=3 4573 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,1,0,0,0,0|1,0,1]=3 4574 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,1,0,0,0,0|1,0,1]=3 4575 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,1,0,0,0,0|1,0,1]=3 4576 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,1,0,0,0,0|1,0,1]=3 4577 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,1,0,0,0,0|2,0,1]=4 4578 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,1,0,0,0,0|2,0,1]=4 4579 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,1,0,0,0,0|1,0,1]=3 4580 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,1,0,0,0,0|1,0,1]=3 4581 B10R0.71 C#CCCCCCCSCF 62a_100012276617_100015361967 [0,1,0,0,0,0|2,0,1]=4 4582 B10R0.71 C#CCCCCCCSCF 62a_100015361967_100012276617 [0,1,0,0,0,0|2,0,1]=4 4583 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [0,1,0,0,0,0|1,0,2]=4 4584 B10R0.71 C#CCCCCCNCCF 34a_100000724931_100012094781 [0,1,0,0,0,0|2,0,1]=4 4585 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,1,0,0,0,0|2,0,1]=4 4586 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,1,0,0,0,0|2,0,1]=4 4587 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [0,1,0,0,0,0|1,0,2]=4 4588 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [0,1,0,0,0,0|1,0,2]=4 4589 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [0,1,0,0,0,0|1,0,2]=4 4590 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [0,1,0,0,0,0|0,0,2]=3 4591 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [0,1,0,0,0,0|0,0,2]=3 4592 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,1,0,0,0,0|2,0,1]=4 4593 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,1,0,0,0,0|1,0,1]=3 4594 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,1,0,0,0,0|1,0,1]=3 4595 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,1,0,0,0,0|1,0,1]=3 4596 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,1,0,0,0,0|2,0,1]=4 4597 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,1,0,0,0,0|2,0,1]=4 4598 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,1,0,0,0,0|2,0,1]=4 4599 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,1,0,0,0,0|2,0,1]=4 4600 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,1,0,0,0,0|2,0,1]=4 4601 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,1,0,0,0,0|2,0,1]=4 4602 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [0,1,0,0,0,0|1,0,2]=4 4603 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [0,1,0,0,0,0|1,0,2]=4 4604 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [0,1,0,0,0,0|0,0,2]=3 4605 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [0,1,0,0,0,0|0,0,2]=3 4606 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,1,0,0,0,0|1,0,1]=3 4607 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,1,0,0,0,0|1,0,1]=3 4608 B10R0.71 C#CCCCCCSCCF 62a_100011217306_100012094781 [0,1,0,0,0,0|2,0,1]=4 4609 B10R0.71 C#CCCCCCSCCF 62a_100012094781_100011217306 [0,1,0,0,0,0|2,0,1]=4 4610 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,1,0,0,0,0|2,0,1]=4 4611 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,1,0,0,0,0|2,0,1]=4 4612 B10R0.71 C#CCCCCCSCOC 62a_100000766300_100012094781 [0,1,0,0,0,0|2,0,1]=4 4613 B10R0.71 C#CCCCCCSCOC 62a_100012094781_100000766300 [0,1,0,0,0,0|2,0,1]=4 4614 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,1,0,0,0,0|2,0,1]=4 4615 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,1,0,0,0,0|2,0,1]=4 4616 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [0,1,0,0,0,0|1,0,2]=4 4617 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [0,1,0,0,0,0|1,0,2]=4 4618 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [0,1,0,0,0,0|1,0,2]=4 4619 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,1,0,0,0,0|1,0,1]=3 4620 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,1,0,0,0,0|1,0,1]=3 4621 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,1,0,0,0,0|1,0,1]=3 4622 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,1,0,0,0,0|1,0,1]=3 4623 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,1,0,0,0,0|2,0,1]=4 4624 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,1,0,0,0,0|2,0,1]=4 4625 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,1,0,0,0,0|2,0,1]=4 4626 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,1,0,0,0,0|2,0,1]=4 4627 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,1,0,0,0,0|2,0,1]=4 4628 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,1,0,0,0,0|2,0,1]=4 4629 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,1,0,0,0,0|2,0,1]=4 4630 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,1,0,0,0,0|2,0,1]=4 4631 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,1,0,0,0,0|2,0,1]=4 4632 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,1,0,0,0,0|2,0,1]=4 4633 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,1,0,0,0,0|2,0,1]=4 4634 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,1,0,0,0,0|2,0,1]=4 4635 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [0,1,0,0,0,0|1,0,2]=4 4636 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [0,1,0,0,0,0|1,0,2]=4 4637 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [0,1,0,0,0,0|1,0,2]=4 4638 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,1,0,0,0,0|2,0,1]=4 4639 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,1,0,0,0,0|1,0,1]=3 4640 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,1,0,0,0,0|1,0,1]=3 4641 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,1,0,0,0,0|1,0,1]=3 4642 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,1,0,0,0,0|1,0,1]=3 4643 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,1,0,0,0,0|2,0,1]=4 4644 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,1,0,0,0,0|2,0,1]=4 4645 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,1,0,0,0,0|2,0,1]=4 4646 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,1,0,0,0,0|2,0,1]=4 4647 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,1,0,0,0,0|2,0,1]=4 4648 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,1,0,0,0,0|2,0,1]=4 4649 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,1,0,0,0,0|2,0,1]=4 4650 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,1,0,0,0,0|2,0,1]=4 4651 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,1,0,0,0,0|2,0,1]=4 4652 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,1,0,0,0,0|2,0,1]=4 4653 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,1,0,0,0,0|2,0,1]=4 4654 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,1,0,0,0,0|2,0,1]=4 4655 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,1,0,0,0,0|2,0,1]=4 4656 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,1,0,0,0,0|2,0,1]=4 4657 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [0,1,0,0,0,0|1,0,2]=4 4658 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [0,1,0,0,0,0|1,0,2]=4 4659 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,1,0,0,0,0|1,0,1]=3 4660 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,1,0,0,0,0|1,0,1]=3 4661 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,1,0,0,0,0|2,0,1]=4 4662 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,1,0,0,0,0|2,0,1]=4 4663 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,1,0,0,0,0|2,0,1]=4 4664 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,1,0,0,0,0|2,0,1]=4 4665 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,1,0,0,0,0|2,0,1]=4 4666 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,1,0,0,0,0|2,0,1]=4 4667 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,1,0,0,0,0|2,0,1]=4 4668 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,1,0,0,0,0|2,0,1]=4 4669 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,1,0,0,0,0|2,0,1]=4 4670 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,1,0,0,0,0|2,0,1]=4 4671 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [0,1,0,0,0,0|1,0,2]=4 4672 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [0,1,0,0,0,0|1,0,2]=4 4673 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [0,1,0,0,0,0|1,0,2]=4 4674 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,1,0,0,0,0|1,0,1]=3 4675 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,1,0,0,0,0|1,0,1]=3 4676 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,1,0,0,0,0|2,0,1]=4 4677 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,1,0,0,0,0|2,0,1]=4 4678 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,1,0,0,0,0|2,0,1]=4 4679 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,1,0,0,0,0|2,0,1]=4 4680 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,1,0,0,0,0|2,0,1]=4 4681 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,1,0,0,0,0|2,0,1]=4 4682 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,1,0,0,0,0|2,0,1]=4 4683 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,1,0,0,0,0|2,0,1]=4 4684 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,1,0,0,0,0|2,0,1]=4 4685 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,1,0,0,0,0|2,0,1]=4 4686 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,1,0,0,0,0|2,0,1]=4 4687 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,1,0,0,0,0|2,0,1]=4 4688 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [0,1,0,0,0,0|1,0,2]=4 4689 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [0,1,0,0,0,0|1,0,2]=4 4690 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [0,1,0,0,0,0|1,0,2]=4 4691 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [0,1,0,0,0,0|1,0,2]=4 4692 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [0,1,0,0,0,0|0,0,2]=3 4693 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,1,0,0,0,0|2,0,1]=4 4694 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,1,0,0,0,0|1,0,1]=3 4695 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,1,0,0,0,0|1,0,1]=3 4696 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,1,0,0,0,0|1,0,1]=3 4697 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,1,0,0,0,0|1,0,1]=3 4698 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,1,0,0,0,0|2,0,1]=4 4699 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,1,0,0,0,0|2,0,1]=4 4700 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,1,0,0,0,0|2,0,1]=4 4701 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,1,0,0,0,0|2,0,1]=4 4702 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,1,0,0,0,0|2,0,1]=4 4703 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,1,0,0,0,0|2,0,1]=4 4704 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,1,0,0,0,0|2,0,1]=4 4705 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,1,0,0,0,0|2,0,1]=4 4706 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,1,0,0,0,0|2,0,1]=4 4707 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,1,0,0,0,0|2,0,1]=4 4708 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,1,0,0,0,0|2,0,1]=4 4709 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,1,0,0,0,0|2,0,1]=4 4710 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,1,0,0,0,0|2,0,1]=4 4711 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,1,0,0,0,0|2,0,1]=4 4712 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,1,0,0,0,0|2,0,1]=4 4713 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,1,0,0,0,0|2,0,1]=4 4714 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,1,0,0,0,0|2,0,1]=4 4715 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,1,0,0,0,0|2,0,1]=4 4716 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,1,0,0,0,0|2,0,1]=4 4717 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,1,0,0,0,0|2,0,1]=4 4718 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,1,0,0,0,0|2,0,1]=4 4719 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,1,0,0,0,0|2,0,1]=4 4720 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,1,0,0,0,0|2,0,1]=4 4721 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,1,0,0,0,0|2,0,1]=4 4722 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [0,1,0,0,0,0|1,0,2]=4 4723 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [0,1,0,0,0,0|1,0,2]=4 4724 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [0,1,0,0,0,0|0,0,2]=3 4725 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [0,1,0,0,0,0|0,0,2]=3 4726 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,1,0,0,0,0|1,0,1]=3 4727 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,1,0,0,0,0|1,0,1]=3 4728 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,1,0,0,0,0|2,0,1]=4 4729 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,1,0,0,0,0|2,0,1]=4 4730 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,1,0,0,0,0|2,0,1]=4 4731 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,1,0,0,0,0|2,0,1]=4 4732 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,1,0,0,0,0|2,0,1]=4 4733 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,1,0,0,0,0|2,0,1]=4 4734 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,1,0,0,0,0|2,0,1]=4 4735 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,1,0,0,0,0|2,0,1]=4 4736 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,1,0,0,0,0|2,0,1]=4 4737 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,1,0,0,0,0|2,0,1]=4 4738 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [0,1,0,0,0,0|1,0,2]=4 4739 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [0,1,0,0,0,0|1,0,2]=4 4740 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [0,1,0,0,0,0|1,0,2]=4 4741 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,1,0,0,0,0|1,0,1]=3 4742 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,1,0,0,0,0|1,0,1]=3 4743 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,1,0,0,0,0|2,0,1]=4 4744 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,1,0,0,0,0|2,0,1]=4 4745 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,1,0,0,0,0|2,0,1]=4 4746 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,1,0,0,0,0|2,0,1]=4 4747 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,1,0,0,0,0|2,0,1]=4 4748 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,1,0,0,0,0|2,0,1]=4 4749 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,1,0,0,0,0|2,0,1]=4 4750 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,1,0,0,0,0|2,0,1]=4 4751 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,1,0,0,0,0|2,0,1]=4 4752 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,1,0,0,0,0|2,0,1]=4 4753 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,1,0,0,0,0|2,0,1]=4 4754 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,1,0,0,0,0|2,0,1]=4 4755 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,1,0,0,0,0|2,0,1]=4 4756 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [0,1,0,0,0,0|1,0,2]=4 4757 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [0,1,0,0,0,0|1,0,2]=4 4758 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [0,1,0,0,0,0|1,0,2]=4 4759 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,1,0,0,0,0|2,0,1]=4 4760 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,1,0,0,0,0|2,0,1]=4 4761 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,1,0,0,0,0|1,0,1]=3 4762 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,1,0,0,0,0|1,0,1]=3 4763 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,1,0,0,0,0|1,0,1]=3 4764 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,1,0,0,0,0|2,0,1]=4 4765 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,1,0,0,0,0|2,0,1]=4 4766 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,1,0,0,0,0|2,0,1]=4 4767 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,1,0,0,0,0|2,0,1]=4 4768 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,1,0,0,0,0|2,0,1]=4 4769 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,1,0,0,0,0|2,0,1]=4 4770 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,1,0,0,0,0|2,0,1]=4 4771 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,1,0,0,0,0|2,0,1]=4 4772 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,1,0,0,0,0|2,0,1]=4 4773 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,1,0,0,0,0|2,0,1]=4 4774 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,1,0,0,0,0|2,0,1]=4 4775 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,1,0,0,0,0|2,0,1]=4 4776 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,1,0,0,0,0|2,0,1]=4 4777 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,1,0,0,0,0|2,0,1]=4 4778 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,1,0,0,0,0|2,0,1]=4 4779 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,1,0,0,0,0|2,0,1]=4 4780 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,1,0,0,0,0|2,0,1]=4 4781 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,1,0,0,0,0|2,0,1]=4 4782 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,1,0,0,0,0|2,0,1]=4 4783 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,1,0,0,0,0|2,0,1]=4 4784 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,1,0,0,0,0|2,0,1]=4 4785 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,1,0,0,0,0|2,0,1]=4 4786 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [0,1,0,0,0,0|1,0,2]=4 4787 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [0,1,0,0,0,0|1,0,2]=4 4788 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [0,1,0,0,0,0|0,0,2]=3 4789 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [0,1,0,0,0,0|0,0,2]=3 4790 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,1,0,0,0,0|1,0,1]=3 4791 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,1,0,0,0,0|1,0,1]=3 4792 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,1,0,0,0,0|2,0,1]=4 4793 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,1,0,0,0,0|2,0,1]=4 4794 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,1,0,0,0,0|2,0,1]=4 4795 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,1,0,0,0,0|2,0,1]=4 4796 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,1,0,0,0,0|2,0,1]=4 4797 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,1,0,0,0,0|2,0,1]=4 4798 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,1,0,0,0,0|2,0,1]=4 4799 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,1,0,0,0,0|2,0,1]=4 4800 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,1,0,0,0,0|2,0,1]=4 4801 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,1,0,0,0,0|2,0,1]=4 4802 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,1,0,0,0,0|2,0,1]=4 4803 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,1,0,0,0,0|2,0,1]=4 4804 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [0,1,0,0,0,0|1,0,2]=4 4805 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,1,0,0,0,0|1,0,1]=3 4806 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,1,0,0,0,0|1,0,1]=3 4807 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,1,0,0,0,0|2,0,1]=4 4808 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,1,0,0,0,0|2,0,1]=4 4809 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,1,0,0,0,0|2,0,1]=4 4810 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,1,0,0,0,0|2,0,1]=4 4811 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,1,0,0,0,0|2,0,1]=4 4812 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,1,0,0,0,0|2,0,1]=4 4813 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,1,0,0,0,0|2,0,1]=4 4814 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,1,0,0,0,0|2,0,1]=4 4815 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,1,0,0,0,0|2,0,1]=4 4816 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,1,0,0,0,0|2,0,1]=4 4817 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [0,1,0,0,0,0|1,0,2]=4 4818 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [0,1,0,0,0,0|1,0,2]=4 4819 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [0,1,0,0,0,0|1,0,2]=4 4820 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,1,0,0,0,0|2,0,1]=4 4821 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,1,0,0,0,0|2,0,1]=4 4822 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,1,0,0,0,0|1,0,1]=3 4823 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,1,0,0,0,0|1,0,1]=3 4824 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,1,0,0,0,0|1,0,1]=3 4825 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,1,0,0,0,0|2,0,1]=4 4826 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,1,0,0,0,0|2,0,1]=4 4827 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,1,0,0,0,0|2,0,1]=4 4828 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,1,0,0,0,0|2,0,1]=4 4829 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,1,0,0,0,0|2,0,1]=4 4830 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,1,0,0,0,0|2,0,1]=4 4831 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,1,0,0,0,0|2,0,1]=4 4832 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,1,0,0,0,0|2,0,1]=4 4833 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,1,0,0,0,0|2,0,1]=4 4834 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,1,0,0,0,0|2,0,1]=4 4835 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,1,0,0,0,0|2,0,1]=4 4836 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,1,0,0,0,0|2,0,1]=4 4837 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,1,0,0,0,0|2,0,1]=4 4838 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,1,0,0,0,0|2,0,1]=4 4839 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,1,0,0,0,0|2,0,1]=4 4840 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,1,0,0,0,0|2,0,1]=4 4841 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,1,0,0,0,0|2,0,1]=4 4842 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,1,0,0,0,0|2,0,1]=4 4843 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,1,0,0,0,0|2,0,1]=4 4844 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,1,0,0,0,0|2,0,1]=4 4845 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,1,0,0,0,0|2,0,1]=4 4846 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,1,0,0,0,0|2,0,1]=4 4847 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,1,0,0,0,0|2,0,1]=4 4848 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [0,1,0,0,0,0|1,0,2]=4 4849 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [0,1,0,0,0,0|0,0,2]=3 4850 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,1,0,0,0,0|1,0,1]=3 4851 B10R0.71 C#CCSCCCCCCF 62a_100000038162_100015922095 [0,1,0,0,0,0|2,0,1]=4 4852 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,1,0,0,0,0|2,0,1]=4 4853 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,1,0,0,0,0|2,0,1]=4 4854 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,1,0,0,0,0|1,0,1]=3 4855 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,1,0,0,0,0|2,0,1]=4 4856 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,1,0,0,0,0|2,0,1]=4 4857 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,1,0,0,0,0|2,0,1]=4 4858 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,1,0,0,0,0|2,0,1]=4 4859 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,1,0,0,0,0|2,0,1]=4 4860 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,1,0,0,0,0|2,0,1]=4 4861 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [0,1,0,0,0,0|2,0,1]=4 4862 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [0,1,0,0,0,0|2,0,1]=4 4863 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,1,0,0,0,0|2,0,1]=4 4864 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,1,0,0,0,0|2,0,1]=4 4865 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,1,0,0,0,0|1,0,1]=3 4866 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,1,0,0,0,0|1,0,1]=3 4867 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,1,0,0,0,0|1,0,1]=3 4868 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,1,0,0,0,0|2,0,1]=4 4869 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,1,0,0,0,0|2,0,1]=4 4870 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,1,0,0,0,0|2,0,1]=4 4871 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,1,0,0,0,0|2,0,1]=4 4872 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,1,0,0,0,0|2,0,1]=4 4873 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,1,0,0,0,0|2,0,1]=4 4874 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,1,0,0,0,0|2,0,1]=4 4875 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,1,0,0,0,0|2,0,1]=4 4876 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,1,0,0,0,0|2,0,1]=4 4877 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,1,0,0,0,0|2,0,1]=4 4878 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,1,0,0,0,0|2,0,1]=4 4879 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,1,0,0,0,0|2,0,1]=4 4880 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,1,0,0,0,0|2,0,1]=4 4881 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,1,0,0,0,0|2,0,1]=4 4882 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [0,1,0,0,0,0|2,0,1]=4 4883 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [0,1,0,0,0,0|2,0,1]=4 4884 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,1,0,0,0,0|2,0,1]=4 4885 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,1,0,0,0,0|2,0,1]=4 4886 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,1,0,0,0,0|2,0,1]=4 4887 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [0,1,0,0,0,0|2,0,1]=4 4888 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [0,1,0,0,0,0|2,0,1]=4 4889 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,1,0,0,0,0|2,0,1]=4 4890 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [0,1,0,0,0,0|0,0,2]=3 4891 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [0,1,0,0,0,0|0,0,2]=3 4892 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,1,0,0,0,0|1,0,1]=3 4893 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,1,0,0,0,0|1,0,1]=3 4894 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,1,0,0,0,0|2,0,1]=4 4895 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,1,0,0,0,0|2,0,1]=4 4896 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,1,0,0,0,0|2,0,1]=4 4897 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,1,0,0,0,0|2,0,1]=4 4898 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,1,0,0,0,0|2,0,1]=4 4899 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,1,0,0,0,0|2,0,1]=4 4900 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [0,1,0,0,0,0|2,0,1]=4 4901 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [0,1,0,0,0,0|2,0,1]=4 4902 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [0,1,0,0,0,0|2,0,1]=4 4903 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [0,1,0,0,0,0|2,0,1]=4 4904 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,1,0,0,0,0|2,0,1]=4 4905 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,1,0,0,0,0|2,0,1]=4 4906 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [0,1,0,0,0,0|1,0,2]=4 4907 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [0,1,0,0,0,0|1,0,2]=4 4908 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [0,1,0,0,0,0|2,0,1]=4 4909 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,1,0,0,0,0|1,0,0]=2 4910 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,1,0,0,0,0|1,0,0]=2 4911 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,1,0,0,0,0|1,0,0]=2 4912 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,1,0,0,0,0|1,0,0]=2 4913 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,1,0,0,0,0|1,0,0]=2 4914 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,1,0,0,0,0|1,0,0]=2 4915 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,1,0,0,0,0|1,0,0]=2 4916 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,1,0,0,0,0|1,0,0]=2 4917 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,1,0,0,0,0|1,0,0]=2 4918 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,1,0,0,0,0|1,0,0]=2 4919 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,1,0,0,0,0|1,0,0]=2 4920 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,1,0,0,0,0|1,0,0]=2 4921 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,1,0,0,0,0|1,0,0]=2 4922 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,1,0,0,0,0|1,0,0]=2 4923 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,1,0,0,0,0|1,0,0]=2 4924 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,1,0,0,0,0|1,0,0]=2 4925 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,1,0,0,0,0|2,0,0]=3 4926 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,1,0,0,0,0|2,0,0]=3 4927 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,1,0,0,0,0|1,0,0]=2 4928 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,1,0,0,0,0|1,0,0]=2 4929 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,1,0,0,0,0|2,0,0]=3 4930 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,1,0,0,0,0|2,0,0]=3 4931 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [0,1,0,0,0,0|1,0,2]=4 4932 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,1,0,0,0,0|2,0,0]=3 4933 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,1,0,0,0,0|2,0,0]=3 4934 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,1,0,0,0,0|2,0,0]=3 4935 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [0,1,0,0,0,0|2,0,1]=4 4936 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [0,1,0,0,0,0|1,0,2]=4 4937 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [0,1,0,0,0,0|1,0,2]=4 4938 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [0,1,0,0,0,0|1,0,2]=4 4939 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [0,1,0,0,0,0|0,0,2]=3 4940 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [0,1,0,0,0,0|0,0,2]=3 4941 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,1,0,0,0,0|2,0,0]=3 4942 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|1,0,0]=2 4943 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|1,0,0]=2 4944 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|1,0,0]=2 4945 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,1,0,0,0,0|2,0,0]=3 4946 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,1,0,0,0,0|2,0,0]=3 4947 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,1,0,0,0,0|2,0,0]=3 4948 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,1,0,0,0,0|2,0,0]=3 4949 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,1,0,0,0,0|2,0,0]=3 4950 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,1,0,0,0,0|2,0,0]=3 4951 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [0,1,0,0,0,0|2,0,1]=4 4952 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [0,1,0,0,0,0|2,0,1]=4 4953 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [0,1,0,0,0,0|1,0,2]=4 4954 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [0,1,0,0,0,0|1,0,2]=4 4955 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [0,1,0,0,0,0|0,0,2]=3 4956 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [0,1,0,0,0,0|0,0,2]=3 4957 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,1,0,0,0,0|1,0,0]=2 4958 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,1,0,0,0,0|1,0,0]=2 4959 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,1,0,0,0,0|2,0,0]=3 4960 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,1,0,0,0,0|2,0,0]=3 4961 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,1,0,0,0,0|2,0,0]=3 4962 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,1,0,0,0,0|2,0,0]=3 4963 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,1,0,0,0,0|2,0,0]=3 4964 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,1,0,0,0,0|2,0,0]=3 4965 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,1,0,0,0,0|2,0,0]=3 4966 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,1,0,0,0,0|2,0,0]=3 4967 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [0,1,0,0,0,0|1,0,2]=4 4968 B10R0.71 C=CCCCCNCC#CC 2230a_100000685387_100011215482 [0,1,0,0,0,0|1,0,2]=4 4969 B10R0.71 C=CCCCCNCC#CC 2230a_100000703577_100000748600 [0,1,0,0,0,0|1,0,2]=4 4970 B10R0.71 C=CCCCCNCC#CC 34a_100000685387_100011215482 [0,1,0,0,0,0|1,0,2]=4 4971 B10R0.71 C=CCCCCNCC#CC 34a_100000703577_100000748600 [0,1,0,0,0,0|1,0,2]=4 4972 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [0,1,0,0,0,0|1,0,2]=4 4973 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [0,1,0,0,0,0|1,0,2]=4 4974 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [0,1,0,0,0,0|2,0,1]=4 4975 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [0,1,0,0,0,0|1,0,2]=4 4976 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [0,1,0,0,0,0|1,0,2]=4 4977 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [0,1,0,0,0,0|1,0,2]=4 4978 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,1,0,0,0,0|1,0,0]=2 4979 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,1,0,0,0,0|1,0,0]=2 4980 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,1,0,0,0,0|1,0,0]=2 4981 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,1,0,0,0,0|1,0,0]=2 4982 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,1,0,0,0,0|2,0,0]=3 4983 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,1,0,0,0,0|2,0,0]=3 4984 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,1,0,0,0,0|2,0,0]=3 4985 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,1,0,0,0,0|2,0,0]=3 4986 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,1,0,0,0,0|2,0,0]=3 4987 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,1,0,0,0,0|2,0,0]=3 4988 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,1,0,0,0,0|2,0,0]=3 4989 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,1,0,0,0,0|2,0,0]=3 4990 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,1,0,0,0,0|2,0,0]=3 4991 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,1,0,0,0,0|2,0,0]=3 4992 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,1,0,0,0,0|2,0,0]=3 4993 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,1,0,0,0,0|2,0,0]=3 4994 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [0,1,0,0,0,0|1,0,2]=4 4995 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [0,1,0,0,0,0|1,0,2]=4 4996 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [0,1,0,0,0,0|1,0,2]=4 4997 B10R0.71 C=CCCCCOCC#CC 34a_100000761923_100011215482 [0,1,0,0,0,0|1,0,2]=4 4998 B10R0.71 C=CCCCCOCC#CC 34a_100000766645_100000748600 [0,1,0,0,0,0|1,0,2]=4 4999 B10R0.71 C=CCCCCOCC#CC 7a_100000766645_100000748600 [0,1,0,0,0,0|1,0,2]=4 5000 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [0,1,0,0,0,0|1,0,2]=4 5001 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [0,1,0,0,0,0|1,0,2]=4 5002 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [0,1,0,0,0,0|2,0,1]=4 5003 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [0,1,0,0,0,0|1,0,2]=4 5004 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [0,1,0,0,0,0|1,0,2]=4 5005 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [0,1,0,0,0,0|1,0,2]=4 5006 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,1,0,0,0,0|2,0,0]=3 5007 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,1,0,0,0,0|1,0,0]=2 5008 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,1,0,0,0,0|1,0,0]=2 5009 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,1,0,0,0,0|1,0,0]=2 5010 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,1,0,0,0,0|1,0,0]=2 5011 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,1,0,0,0,0|2,0,0]=3 5012 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,1,0,0,0,0|2,0,0]=3 5013 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,1,0,0,0,0|2,0,0]=3 5014 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,1,0,0,0,0|2,0,0]=3 5015 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,1,0,0,0,0|2,0,0]=3 5016 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|2,0,0]=3 5017 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|2,0,0]=3 5018 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,1,0,0,0,0|2,0,0]=3 5019 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,1,0,0,0,0|2,0,0]=3 5020 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,1,0,0,0,0|2,0,0]=3 5021 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,1,0,0,0,0|3,0,0]=4 5022 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,1,0,0,0,0|2,0,0]=3 5023 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,1,0,0,0,0|2,0,0]=3 5024 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,1,0,0,0,0|2,0,0]=3 5025 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,1,0,0,0,0|2,0,0]=3 5026 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [0,1,0,0,0,0|1,0,2]=4 5027 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [0,1,0,0,0,0|1,0,2]=4 5028 B10R0.71 C=CCCCCSCC#CC 62a_100000748600_100011215482 [0,1,0,0,0,0|1,0,2]=4 5029 B10R0.71 C=CCCCCSCC#CC 62a_100011215482_100000748600 [0,1,0,0,0,0|1,0,2]=4 5030 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [0,1,0,0,0,0|1,0,2]=4 5031 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [0,1,0,0,0,0|1,0,2]=4 5032 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [0,1,0,0,0,0|2,0,1]=4 5033 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [0,1,0,0,0,0|2,0,1]=4 5034 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [0,1,0,0,0,0|1,0,2]=4 5035 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [0,1,0,0,0,0|1,0,2]=4 5036 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,1,0,0,0,0|1,0,0]=2 5037 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,1,0,0,0,0|1,0,0]=2 5038 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,1,0,0,0,0|2,0,0]=3 5039 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,1,0,0,0,0|2,0,0]=3 5040 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,1,0,0,0,0|2,0,0]=3 5041 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,1,0,0,0,0|2,0,0]=3 5042 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,1,0,0,0,0|2,0,0]=3 5043 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,1,0,0,0,0|2,0,0]=3 5044 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,1,0,0,0,0|2,0,0]=3 5045 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,1,0,0,0,0|2,0,0]=3 5046 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,1,0,0,0,0|2,0,0]=3 5047 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,1,0,0,0,0|2,0,0]=3 5048 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [0,1,0,0,0,0|1,0,2]=4 5049 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [0,1,0,0,0,0|1,0,2]=4 5050 B10R0.71 C=CCCCNCC#CCC 2230a_100000700776_100009813939 [0,1,0,0,0,0|1,0,2]=4 5051 B10R0.71 C=CCCCNCC#CCC 34a_100000700776_100009813939 [0,1,0,0,0,0|1,0,2]=4 5052 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [0,1,0,0,0,0|2,0,1]=4 5053 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [0,1,0,0,0,0|1,0,2]=4 5054 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [0,1,0,0,0,0|1,0,2]=4 5055 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [0,1,0,0,0,0|0,0,2]=3 5056 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,1,0,0,0,0|1,0,0]=2 5057 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,1,0,0,0,0|1,0,0]=2 5058 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,1,0,0,0,0|1,0,0]=2 5059 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,1,0,0,0,0|2,0,0]=3 5060 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,1,0,0,0,0|2,0,0]=3 5061 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,1,0,0,0,0|2,0,0]=3 5062 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,1,0,0,0,0|2,0,0]=3 5063 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,1,0,0,0,0|2,0,0]=3 5064 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,1,0,0,0,0|2,0,0]=3 5065 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,1,0,0,0,0|2,0,0]=3 5066 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,1,0,0,0,0|2,0,0]=3 5067 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,1,0,0,0,0|2,0,0]=3 5068 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,1,0,0,0,0|2,0,0]=3 5069 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,1,0,0,0,0|2,0,0]=3 5070 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,1,0,0,0,0|2,0,0]=3 5071 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,1,0,0,0,0|2,0,0]=3 5072 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,1,0,0,0,0|2,0,0]=3 5073 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,1,0,0,0,0|2,0,0]=3 5074 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,1,0,0,0,0|2,0,0]=3 5075 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,1,0,0,0,0|2,0,0]=3 5076 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,1,0,0,0,0|1,0,2]=4 5077 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,1,0,0,0,0|1,0,2]=4 5078 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,1,0,0,0,0|1,0,2]=4 5079 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [0,1,0,0,0,0|1,0,2]=4 5080 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [0,1,0,0,0,0|1,0,2]=4 5081 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [0,1,0,0,0,0|1,0,2]=4 5082 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [0,1,0,0,0,0|1,0,2]=4 5083 B10R0.71 C=CCCCOCCC#CC 34a_100000750427_100000757094 [0,1,0,0,0,0|1,0,2]=4 5084 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [0,1,0,0,0,0|2,0,1]=4 5085 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [0,1,0,0,0,0|1,0,2]=4 5086 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [0,1,0,0,0,0|1,0,2]=4 5087 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [0,1,0,0,0,0|0,0,2]=3 5088 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,1,0,0,0,0|2,0,0]=3 5089 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,1,0,0,0,0|1,0,0]=2 5090 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,1,0,0,0,0|1,0,0]=2 5091 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,1,0,0,0,0|1,0,0]=2 5092 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,1,0,0,0,0|1,0,0]=2 5093 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,1,0,0,0,0|2,0,0]=3 5094 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,1,0,0,0,0|2,0,0]=3 5095 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,1,0,0,0,0|2,0,0]=3 5096 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,1,0,0,0,0|2,0,0]=3 5097 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,1,0,0,0,0|2,0,0]=3 5098 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,1,0,0,0,0|2,0,0]=3 5099 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,1,0,0,0,0|2,0,0]=3 5100 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,1,0,0,0,0|2,0,0]=3 5101 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,1,0,0,0,0|2,0,0]=3 5102 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,1,0,0,0,0|2,0,0]=3 5103 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,1,0,0,0,0|2,0,0]=3 5104 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,1,0,0,0,0|2,0,0]=3 5105 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,1,0,0,0,0|2,0,0]=3 5106 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,1,0,0,0,0|2,0,0]=3 5107 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,1,0,0,0,0|2,0,0]=3 5108 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,1,0,0,0,0|2,0,0]=3 5109 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,1,0,0,0,0|2,0,0]=3 5110 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,1,0,0,0,0|2,0,0]=3 5111 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,1,0,0,0,0|2,0,0]=3 5112 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,1,0,0,0,0|2,0,0]=3 5113 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,1,0,0,0,0|2,0,0]=3 5114 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,1,0,0,0,0|2,0,0]=3 5115 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,1,0,0,0,0|2,0,0]=3 5116 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,1,0,0,0,0|2,0,0]=3 5117 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,1,0,0,0,0|1,0,2]=4 5118 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,1,0,0,0,0|1,0,2]=4 5119 B10R0.71 C=CCCCSCC#CCC 62a_100009813939_100000757094 [0,1,0,0,0,0|1,0,2]=4 5120 B10R0.71 C=CCCCSCC#CCC 62a_100011713584_100009813939 [0,1,0,0,0,0|1,0,2]=4 5121 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [0,1,0,0,0,0|2,0,1]=4 5122 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [0,1,0,0,0,0|2,0,1]=4 5123 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [0,1,0,0,0,0|1,0,2]=4 5124 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [0,1,0,0,0,0|0,0,2]=3 5125 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [0,1,0,0,0,0|0,0,2]=3 5126 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,1,0,0,0,0|1,0,0]=2 5127 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,1,0,0,0,0|1,0,0]=2 5128 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,1,0,0,0,0|2,0,0]=3 5129 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,1,0,0,0,0|2,0,0]=3 5130 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,1,0,0,0,0|2,0,0]=3 5131 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,1,0,0,0,0|2,0,0]=3 5132 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,1,0,0,0,0|2,0,0]=3 5133 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,1,0,0,0,0|2,0,0]=3 5134 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,1,0,0,0,0|2,0,0]=3 5135 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,1,0,0,0,0|2,0,0]=3 5136 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,1,0,0,0,0|2,0,0]=3 5137 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,1,0,0,0,0|2,0,0]=3 5138 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [0,1,0,0,0,0|1,0,2]=4 5139 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [0,1,0,0,0,0|2,0,1]=4 5140 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [0,1,0,0,0,0|0,0,2]=3 5141 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,1,0,0,0,0|1,0,0]=2 5142 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,1,0,0,0,0|1,0,0]=2 5143 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,1,0,0,0,0|2,0,0]=3 5144 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,1,0,0,0,0|2,0,0]=3 5145 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,1,0,0,0,0|2,0,0]=3 5146 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,1,0,0,0,0|2,0,0]=3 5147 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,1,0,0,0,0|2,0,0]=3 5148 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,1,0,0,0,0|2,0,0]=3 5149 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,1,0,0,0,0|2,0,0]=3 5150 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,1,0,0,0,0|2,0,0]=3 5151 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,1,0,0,0,0|2,0,0]=3 5152 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,1,0,0,0,0|2,0,0]=3 5153 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,1,0,0,0,0|2,0,0]=3 5154 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,1,0,0,0,0|3,0,0]=4 5155 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,1,0,0,0,0|3,0,0]=4 5156 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,1,0,0,0,0|3,0,0]=4 5157 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,1,0,0,0,0|2,0,0]=3 5158 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,1,0,0,0,0|3,0,0]=4 5159 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,1,0,0,0,0|2,0,0]=3 5160 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [0,1,0,0,0,0|3,0,0]=4 5161 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,1,0,0,0,0|1,0,2]=4 5162 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,1,0,0,0,0|1,0,2]=4 5163 B10R0.71 C=CCCOCC#CCCC 34a_100000034806_100000754431 [0,1,0,0,0,0|1,0,2]=4 5164 B10R0.71 C=CCCOCC#CCCC 7a_100000034806_100000754431 [0,1,0,0,0,0|1,0,2]=4 5165 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,1,0,0,0,0|1,0,2]=4 5166 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,1,0,0,0,0|1,0,2]=4 5167 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,1,0,0,0,0|1,0,2]=4 5168 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [0,1,0,0,0,0|1,0,2]=4 5169 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [0,1,0,0,0,0|1,0,2]=4 5170 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [0,1,0,0,0,0|1,0,2]=4 5171 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,1,0,0,0,0|2,0,0]=3 5172 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,1,0,0,0,0|2,0,0]=3 5173 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|1,0,0]=2 5174 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|1,0,0]=2 5175 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|1,0,0]=2 5176 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,1,0,0,0,0|2,0,0]=3 5177 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,1,0,0,0,0|2,0,0]=3 5178 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,1,0,0,0,0|2,0,0]=3 5179 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,1,0,0,0,0|2,0,0]=3 5180 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,1,0,0,0,0|2,0,0]=3 5181 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,1,0,0,0,0|2,0,0]=3 5182 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,1,0,0,0,0|2,0,0]=3 5183 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,1,0,0,0,0|2,0,0]=3 5184 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,1,0,0,0,0|2,0,0]=3 5185 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,1,0,0,0,0|2,0,0]=3 5186 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,1,0,0,0,0|2,0,0]=3 5187 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,1,0,0,0,0|2,0,0]=3 5188 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,1,0,0,0,0|2,0,0]=3 5189 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,1,0,0,0,0|2,0,0]=3 5190 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,1,0,0,0,0|2,0,0]=3 5191 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,1,0,0,0,0|2,0,0]=3 5192 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [0,1,0,0,0,0|3,0,0]=4 5193 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [0,1,0,0,0,0|3,0,0]=4 5194 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,1,0,0,0,0|2,0,0]=3 5195 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,1,0,0,0,0|2,0,0]=3 5196 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,1,0,0,0,0|2,0,0]=3 5197 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [0,1,0,0,0,0|3,0,0]=4 5198 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [0,1,0,0,0,0|3,0,0]=4 5199 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [0,1,0,0,0,0|3,0,0]=4 5200 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [0,1,0,0,0,0|3,0,0]=4 5201 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [0,1,0,0,0,0|3,0,0]=4 5202 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [0,1,0,0,0,0|3,0,0]=4 5203 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [0,1,0,0,0,0|3,0,0]=4 5204 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,1,0,0,0,0|3,0,0]=4 5205 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,1,0,0,0,0|2,0,0]=3 5206 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,1,0,0,0,0|2,0,0]=3 5207 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,1,0,0,0,0|2,0,0]=3 5208 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,1,0,0,0,0|1,0,2]=4 5209 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,1,0,0,0,0|1,0,2]=4 5210 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [0,1,0,0,0,0|2,0,1]=4 5211 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [0,1,0,0,0,0|2,0,1]=4 5212 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [0,1,0,0,0,0|0,0,2]=3 5213 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [0,1,0,0,0,0|0,0,2]=3 5214 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,1,0,0,0,0|1,0,0]=2 5215 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,1,0,0,0,0|1,0,0]=2 5216 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,1,0,0,0,0|2,0,0]=3 5217 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,1,0,0,0,0|2,0,0]=3 5218 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,1,0,0,0,0|2,0,0]=3 5219 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,1,0,0,0,0|2,0,0]=3 5220 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,1,0,0,0,0|2,0,0]=3 5221 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,1,0,0,0,0|2,0,0]=3 5222 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,1,0,0,0,0|2,0,0]=3 5223 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,1,0,0,0,0|2,0,0]=3 5224 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,1,0,0,0,0|2,0,0]=3 5225 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,1,0,0,0,0|2,0,0]=3 5226 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,1,0,0,0,0|3,0,0]=4 5227 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,1,0,0,0,0|3,0,0]=4 5228 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,1,0,0,0,0|2,0,0]=3 5229 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,1,0,0,0,0|2,0,0]=3 5230 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [0,1,0,0,0,0|3,0,0]=4 5231 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [0,1,0,0,0,0|3,0,0]=4 5232 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [0,1,0,0,0,0|2,0,1]=4 5233 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [0,1,0,0,0,0|0,0,2]=3 5234 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,1,0,0,0,0|1,0,0]=2 5235 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,1,0,0,0,0|1,0,0]=2 5236 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,1,0,0,0,0|2,0,0]=3 5237 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,1,0,0,0,0|2,0,0]=3 5238 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,1,0,0,0,0|2,0,0]=3 5239 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,1,0,0,0,0|2,0,0]=3 5240 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,1,0,0,0,0|2,0,0]=3 5241 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,1,0,0,0,0|2,0,0]=3 5242 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,1,0,0,0,0|2,0,0]=3 5243 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,1,0,0,0,0|2,0,0]=3 5244 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,1,0,0,0,0|2,0,0]=3 5245 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,1,0,0,0,0|3,0,0]=4 5246 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,1,0,0,0,0|3,0,0]=4 5247 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,1,0,0,0,0|3,0,0]=4 5248 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,1,0,0,0,0|2,0,0]=3 5249 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [0,1,0,0,0,0|1,0,2]=4 5250 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [0,1,0,0,0,0|1,0,2]=4 5251 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [0,1,0,0,0,0|1,0,2]=4 5252 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [0,1,0,0,0,0|1,0,2]=4 5253 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [0,1,0,0,0,0|1,0,2]=4 5254 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [0,1,0,0,0,0|1,0,2]=4 5255 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,1,0,0,0,0|1,0,2]=4 5256 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,1,0,0,0,0|1,0,2]=4 5257 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,1,0,0,0,0|2,0,0]=3 5258 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,1,0,0,0,0|2,0,0]=3 5259 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,1,0,0,0,0|1,0,0]=2 5260 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,1,0,0,0,0|1,0,0]=2 5261 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,1,0,0,0,0|1,0,0]=2 5262 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,1,0,0,0,0|2,0,0]=3 5263 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,1,0,0,0,0|2,0,0]=3 5264 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,1,0,0,0,0|2,0,0]=3 5265 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,1,0,0,0,0|2,0,0]=3 5266 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,1,0,0,0,0|2,0,0]=3 5267 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,1,0,0,0,0|2,0,0]=3 5268 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,1,0,0,0,0|2,0,0]=3 5269 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,1,0,0,0,0|2,0,0]=3 5270 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,1,0,0,0,0|2,0,0]=3 5271 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,1,0,0,0,0|2,0,0]=3 5272 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,1,0,0,0,0|2,0,0]=3 5273 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,1,0,0,0,0|2,0,0]=3 5274 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,1,0,0,0,0|2,0,0]=3 5275 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,1,0,0,0,0|3,0,0]=4 5276 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,1,0,0,0,0|3,0,0]=4 5277 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,1,0,0,0,0|3,0,0]=4 5278 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,1,0,0,0,0|3,0,0]=4 5279 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,1,0,0,0,0|3,0,0]=4 5280 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,1,0,0,0,0|3,0,0]=4 5281 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,1,0,0,0,0|3,0,0]=4 5282 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,1,0,0,0,0|3,0,0]=4 5283 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,1,0,0,0,0|3,0,0]=4 5284 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,1,0,0,0,0|3,0,0]=4 5285 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,1,0,0,0,0|3,0,0]=4 5286 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,1,0,0,0,0|3,0,0]=4 5287 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,1,0,0,0,0|3,0,0]=4 5288 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,1,0,0,0,0|3,0,0]=4 5289 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,1,0,0,0,0|3,0,0]=4 5290 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,1,0,0,0,0|3,0,0]=4 5291 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,1,0,0,0,0|2,0,0]=3 5292 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,1,0,0,0,0|2,0,0]=3 5293 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [0,1,0,0,0,0|2,0,1]=4 5294 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [0,1,0,0,0,0|2,0,1]=4 5295 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [0,1,0,0,0,0|0,0,2]=3 5296 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [0,1,0,0,0,0|0,0,2]=3 5297 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,1,0,0,0,0|1,0,0]=2 5298 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,1,0,0,0,0|1,0,0]=2 5299 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,1,0,0,0,0|2,0,0]=3 5300 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,1,0,0,0,0|2,0,0]=3 5301 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,1,0,0,0,0|2,0,0]=3 5302 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,1,0,0,0,0|2,0,0]=3 5303 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,1,0,0,0,0|2,0,0]=3 5304 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,1,0,0,0,0|2,0,0]=3 5305 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [0,1,0,0,0,0|3,0,0]=4 5306 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [0,1,0,0,0,0|3,0,0]=4 5307 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [0,1,0,0,0,0|1,0,2]=4 5308 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [0,1,0,0,0,0|1,0,2]=4 5309 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,1,0,0,0,0|2,0,0]=3 5310 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,1,0,0,0,0|2,0,0]=3 5311 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,1,0,0,0,0|3,0,0]=4 5312 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,1,0,0,0,0|3,0,0]=4 5313 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,1,0,0,0,0|3,0,0]=4 5314 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,1,0,0,0,0|3,0,0]=4 5315 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,1,0,0,0,0|3,0,0]=4 5316 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,1,0,0,0,0|2,0,0]=3 5317 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,1,0,0,0,0|2,0,0]=3 5318 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,1,0,0,0,0|3,0,0]=4 5319 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,1,0,0,0,0|3,0,0]=4 5320 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,1,0,0,0,0|3,0,0]=4 5321 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,1,0,0,0,0|3,0,0]=4 5322 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,1,0,0,0,0|3,0,0]=4 5323 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,1,0,0,0,0|3,0,0]=4 5324 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,1,0,0,0,0|3,0,0]=4 5325 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,1,0,0,0,0|3,0,0]=4 5326 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,1,0,0,0,0|2,0,0]=3 5327 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,1,0,0,0,0|3,0,0]=4 5328 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,1,0,0,0,0|3,0,0]=4 5329 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,1,0,0,0,0|3,0,0]=4 5330 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,1,0,0,0,0|3,0,0]=4 5331 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,1,0,0,0,0|3,0,0]=4 5332 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,1,0,0,0,0|3,0,0]=4 5333 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,1,0,0,0,0|3,0,0]=4 5334 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,1,0,0,0,0|3,0,0]=4 5335 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,1,0,0,0,0|2,0,0]=3 5336 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,1,0,0,0,0|2,0,0]=3 5337 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,1,0,0,0,0|2,0,0]=3 5338 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,1,0,0,0,0|3,0,0]=4 5339 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,1,0,0,0,0|3,0,0]=4 5340 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,1,0,0,0,0|3,0,0]=4 5341 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,1,0,0,0,0|3,0,0]=4 5342 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,1,0,0,0,0|3,0,0]=4 5343 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,1,0,0,0,0|3,0,0]=4 5344 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,1,0,0,0,0|3,0,0]=4 5345 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,1,0,0,0,0|3,0,0]=4 5346 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,1,0,0,0,0|3,0,0]=4 5347 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,1,0,0,0,0|3,0,0]=4 5348 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,1,0,0,0,0|3,0,0]=4 5349 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,1,0,0,0,0|3,0,0]=4 5350 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,1,0,0,0,0|3,0,0]=4 5351 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,1,0,0,0,0|3,0,0]=4 5352 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,1,0,0,0,0|3,0,0]=4 5353 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,1,0,0,0,0|3,0,0]=4 5354 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,1,0,0,0,0|3,0,0]=4 5355 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,1,0,0,0,0|3,0,0]=4 5356 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,1,0,0,0,0|3,0,0]=4 5357 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,1,0,0,0,0|3,0,0]=4 5358 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,1,0,0,0,0|3,0,0]=4 5359 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [0,1,0,0,0,0|1,0,2]=4 5360 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [0,1,0,0,0,0|1,0,2]=4 5361 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,1,0,0,0,0|2,0,0]=3 5362 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,1,0,0,0,0|2,0,0]=3 5363 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,1,0,0,0,0|3,0,0]=4 5364 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,1,0,0,0,0|3,0,0]=4 5365 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,1,0,0,0,0|3,0,0]=4 5366 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,1,0,0,0,0|3,0,0]=4 5367 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,1,0,0,0,0|3,0,0]=4 5368 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,1,0,0,0,0|3,0,0]=4 5369 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,1,0,0,0,0|3,0,0]=4 5370 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,1,0,0,0,0|3,0,0]=4 5371 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,1,0,0,0,0|3,0,0]=4 5372 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,1,0,0,0,0|3,0,0]=4 5373 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,1,0,0,0,0|1,0,2]=4 5374 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [0,1,0,0,0,0|0,0,2]=3 5375 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,1,0,0,0,0|1,0,2]=4 5376 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,1,0,0,0,0|1,0,2]=4 5377 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,1,0,0,0,0|1,0,2]=4 5378 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,1,0,0,0,0|1,0,2]=4 5379 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,1,0,0,0,0|1,0,2]=4 5380 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,1,0,0,0,0|1,0,2]=4 5381 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [0,1,0,0,0,0|0,0,2]=3 5382 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [0,1,0,0,0,0|0,0,2]=3 5383 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,1,0,0,0,0|1,0,2]=4 5384 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,1,0,0,0,0|1,0,2]=4 5385 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,1,0,0,0,0|0,0,2]=3 5386 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,1,0,0,0,0|0,0,2]=3 5387 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|2,0,1]=4 5388 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|2,0,1]=4 5389 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|2,0,1]=4 5390 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|2,0,1]=4 5391 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|2,0,1]=4 5392 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|2,0,1]=4 5393 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|2,0,1]=4 5394 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|2,0,1]=4 5395 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|2,0,1]=4 5396 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|2,0,1]=4 5397 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|2,0,1]=4 5398 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|2,0,1]=4 5399 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|2,0,1]=4 5400 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|2,0,1]=4 5401 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|2,0,1]=4 5402 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|2,0,1]=4 5403 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|2,0,1]=4 5404 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|2,0,1]=4 5405 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|2,0,1]=4 5406 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|2,0,1]=4 5407 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|2,0,1]=4 5408 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,1,0,0,0,0|0,0,2]=3 5409 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,1,0,0,0,0|0,0,2]=3 5410 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|2,0,1]=4 5411 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|2,0,1]=4 5412 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,1,0,0,0,0|1,0,2]=4 5413 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,1,0,0,0,0|1,0,1]=3 5414 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,1,0,0,0,0|2,0,1]=4 5415 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,1,0,0,0,0|2,0,1]=4 5416 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,1,0,0,0,0|2,0,1]=4 5417 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,1,0,0,0,0|2,0,1]=4 5418 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,1,0,0,0,0|1,0,1]=3 5419 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,1,0,0,0,0|2,0,1]=4 5420 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,1,0,0,0,0|2,0,1]=4 5421 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [0,1,0,0,0,0|2,0,1]=4 5422 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [0,1,0,0,0,0|2,0,1]=4 5423 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [0,1,0,0,0,0|2,0,1]=4 5424 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [0,1,0,0,0,0|2,0,1]=4 5425 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [0,1,0,0,0,0|2,0,1]=4 5426 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,1,0,0,0,0|2,0,1]=4 5427 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,1,0,0,0,0|2,0,1]=4 5428 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,1,0,0,0,0|1,0,1]=3 5429 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,1,0,0,0,0|1,0,1]=3 5430 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,1,0,0,0,0|2,0,1]=4 5431 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,1,0,0,0,0|2,0,1]=4 5432 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,1,0,0,0,0|2,0,1]=4 5433 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,1,0,0,0,0|2,0,1]=4 5434 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,1,0,0,0,0|2,0,1]=4 5435 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,1,0,0,0,0|2,0,1]=4 5436 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,1,0,0,0,0|2,0,1]=4 5437 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,1,0,0,0,0|2,0,1]=4 5438 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,1,0,0,0,0|2,0,1]=4 5439 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,1,0,0,0,0|2,0,1]=4 5440 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [0,1,0,0,0,0|2,0,1]=4 5441 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [0,1,0,0,0,0|2,0,1]=4 5442 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,1,0,0,0,0|2,0,1]=4 5443 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,1,0,0,0,0|2,0,1]=4 5444 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [0,1,0,0,0,0|2,0,1]=4 5445 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [0,1,0,0,0,0|2,0,1]=4 5446 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [0,1,0,0,0,0|0,0,2]=3 5447 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [0,1,0,0,0,0|0,0,2]=3 5448 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,1,0,0,0,0|1,0,1]=3 5449 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,1,0,0,0,0|1,0,1]=3 5450 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,1,0,0,0,0|2,0,1]=4 5451 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,1,0,0,0,0|2,0,1]=4 5452 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,1,0,0,0,0|2,0,1]=4 5453 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,1,0,0,0,0|2,0,1]=4 5454 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,1,0,0,0,0|2,0,1]=4 5455 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,1,0,0,0,0|2,0,1]=4 5456 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [0,1,0,0,0,0|2,0,1]=4 5457 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [0,1,0,0,0,0|2,0,1]=4 5458 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [0,1,0,0,0,0|2,0,1]=4 5459 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [0,1,0,0,0,0|2,0,1]=4 5460 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,1,0,0,0,0|2,0,1]=4 5461 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,1,0,0,0,0|2,0,1]=4 5462 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [0,1,0,0,0,0|0,0,2]=3 5463 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [0,1,0,0,0,0|0,0,2]=3 5464 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,1,0,0,0,0|0,0,2]=3 5465 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,1,0,0,0,0|0,0,2]=3 5466 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,1,0,0,0,0|0,0,2]=3 5467 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,1,0,0,0,0|0,0,2]=3 5468 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,1,0,0,0,0|2,0,1]=4 5469 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,1,0,0,0,0|2,0,1]=4 5470 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,1,0,0,0,0|2,0,1]=4 5471 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,1,0,0,0,0|2,0,1]=4 5472 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,1,0,0,0,0|2,0,1]=4 5473 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,1,0,0,0,0|2,0,1]=4 5474 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,1,0,0,0,0|2,0,1]=4 5475 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,1,0,0,0,0|2,0,1]=4 5476 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [0,1,0,0,0,0|0,0,2]=3 5477 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [0,1,0,0,0,0|0,0,2]=3 5478 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,1,0,0,0,0|2,0,1]=4 5479 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,1,0,0,0,0|2,0,1]=4 5480 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,1,0,0,0,0|2,0,1]=4 5481 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,1,0,0,0,0|2,0,1]=4 5482 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,1,0,0,0,0|2,0,1]=4 5483 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,1,0,0,0,0|2,0,1]=4 5484 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,1,0,0,0,0|2,0,1]=4 5485 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,1,0,0,0,0|2,0,1]=4 5486 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,0,0,0,0|2,0,1]=4 5487 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,0,0,0,0|2,0,1]=4 5488 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,0,0,0,0|2,0,1]=4 5489 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,0,0,0,0|2,0,1]=4 5490 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,1,0,0,0,0|2,0,1]=4 5491 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,1,0,0,0,0|2,0,1]=4 5492 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,1,0,0,0,0|2,0,1]=4 5493 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,1,0,0,0,0|2,0,1]=4 5494 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,1,0,0,0,0|1,0,1]=3 5495 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,1,0,0,0,0|1,0,1]=3 5496 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,1,0,0,0,0|1,0,1]=3 5497 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,1,0,0,0,0|1,0,1]=3 5498 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,1,0,0,0,0|1,0,1]=3 5499 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,1,0,0,0,0|1,0,1]=3 5500 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,1,0,0,0,0|1,0,1]=3 5501 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|0,0,2]=3 5502 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|0,0,2]=3 5503 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|0,0,2]=3 5504 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|0,0,2]=3 5505 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|0,0,2]=3 5506 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,1,0,0,0,0|0,1,1]=3 5507 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,1,0,0,0,0|0,1,1]=3 5508 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,1,0,0,0,0|1,0,1]=3 5509 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,1,0,0,0,0|1,0,1]=3 5510 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,1,0,0,0,0|1,0,1]=3 5511 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,1,0,0,0,0|1,0,1]=3 5512 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,1,0,0,0,0|1,0,1]=3 5513 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,1,0,0,0,0|1,0,1]=3 5514 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,1,0,0,0,0|1,0,1]=3 5515 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,1,0,0,0,0|1,0,1]=3 5516 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,1,0,0,0,0|1,0,1]=3 5517 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,1,0,0,0,0|1,0,1]=3 5518 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,1,0,0,0,0|1,0,1]=3 5519 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,1,0,0,0,0|1,0,1]=3 5520 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,1,0,0,0,0|1,0,1]=3 5521 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,1,0,0,0,0|1,0,1]=3 5522 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,1,0,0,0,0|0,0,0]=1 5523 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,1,0,0,0,0|1,0,1]=3 5524 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,1,0,0,0,0|1,0,1]=3 5525 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,1,0,0,0,0|1,0,1]=3 5526 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|0,0,2]=3 5527 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|0,0,2]=3 5528 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|0,0,2]=3 5529 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,1,0,0,0,0|2,0,0]=3 5530 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,1,0,0,0,0|2,0,0]=3 5531 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,1,0,0,0,0|1,0,1]=3 5532 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,1,0,0,0,0|0,0,0]=1 5533 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,1,0,0,0,0|0,0,0]=1 5534 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|1,0,1]=3 5535 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|1,0,1]=3 5536 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|1,0,1]=3 5537 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|1,0,1]=3 5538 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|1,0,1]=3 5539 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|1,0,1]=3 5540 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|1,0,1]=3 5541 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|0,0,2]=3 5542 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|0,0,2]=3 5543 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,1,0,0,0,0|2,0,0]=3 5544 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,1,0,0,0,0|1,0,1]=3 5545 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,1,0,0,0,0|1,0,1]=3 5546 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,1,0,0,0,0|0,0,0]=1 5547 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,1,0,0,0,0|0,0,0]=1 5548 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,1,0,0,0,0|1,0,1]=3 5549 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,1,0,0,0,0|1,0,1]=3 5550 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,1,0,0,0,0|1,0,1]=3 5551 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,1,0,0,0,0|1,0,1]=3 5552 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|0,0,2]=3 5553 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|0,0,2]=3 5554 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,1,0,0,0,0|2,0,0]=3 5555 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,1,0,0,0,0|2,0,0]=3 5556 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,1,0,0,0,0|2,0,0]=3 5557 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,1,0,0,0,0|2,0,0]=3 5558 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,1,0,0,0,0|1,0,1]=3 5559 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,1,0,0,0,0|1,0,1]=3 5560 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,1,0,0,0,0|1,0,1]=3 5561 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,1,0,0,0,0|1,0,1]=3 5562 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,1,0,0,0,0|1,0,1]=3 5563 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,1,0,0,0,0|1,0,1]=3 5564 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,1,0,0,0,0|1,0,1]=3 5565 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|0,0,2]=3 5566 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|2,0,0]=3 5567 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|2,0,0]=3 5568 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,1,0,0,0,0|2,0,0]=3 5569 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,1,0,0,0,0|2,0,0]=3 5570 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,1,0,0,0,0|1,0,1]=3 5571 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|1,0,1]=3 5572 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|1,0,1]=3 5573 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|1,0,1]=3 5574 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|1,0,1]=3 5575 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|1,0,1]=3 5576 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|1,0,1]=3 5577 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|1,0,1]=3 5578 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|1,0,1]=3 5579 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|1,0,1]=3 5580 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|1,0,1]=3 5581 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|0,0,2]=3 5582 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|0,0,2]=3 5583 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|2,0,0]=3 5584 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|2,0,0]=3 5585 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|2,0,0]=3 5586 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|2,0,0]=3 5587 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|2,0,0]=3 5588 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|2,0,0]=3 5589 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|2,0,0]=3 5590 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|2,0,0]=3 5591 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|2,0,0]=3 5592 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|2,0,0]=3 5593 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|2,0,0]=3 5594 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|2,0,0]=3 5595 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,1,0,0,0,0|1,0,1]=3 5596 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,1,0,0,0,0|1,0,1]=3 5597 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,1,0,0,0,0|1,0,1]=3 5598 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,1,0,0,0,0|1,0,1]=3 5599 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,1,0,0,0,0|1,0,1]=3 5600 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,1,0,0,0,0|1,0,1]=3 5601 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|0,0,2]=3 5602 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|0,0,2]=3 5603 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|2,0,0]=3 5604 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|2,0,0]=3 5605 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,1,0,0,0,0|2,0,0]=3 5606 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,1,0,0,0,0|2,0,0]=3 5607 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,1,0,0,0,0|2,0,1]=4 5608 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,1,0,0,0,0|2,0,1]=4 5609 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,1,0,0,0,0|2,0,1]=4 5610 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,1,0,0,0,0|2,0,1]=4 5611 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,1,0,0,0,0|1,0,1]=3 5612 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,1,0,0,0,0|0,0,0]=1 5613 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,1,0,0,0,0|1,0,1]=3 5614 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,1,0,0,0,0|1,0,1]=3 5615 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|0,0,2]=3 5616 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|0,0,2]=3 5617 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|0,0,2]=3 5618 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,1,0,0,0,0|2,0,0]=3 5619 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,1,0,0,0,0|2,0,0]=3 5620 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,1,0,0,0,0|2,0,0]=3 5621 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,1,0,0,0,0|2,0,1]=4 5622 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,1,0,0,0,0|2,0,1]=4 5623 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,1,0,0,0,0|2,0,1]=4 5624 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,1,0,0,0,0|2,0,1]=4 5625 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,1,0,0,0,0|2,0,1]=4 5626 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,1,0,0,0,0|2,0,1]=4 5627 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,1,0,0,0,0|2,0,1]=4 5628 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,1,0,0,0,0|1,0,1]=3 5629 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,1,0,0,0,0|0,0,0]=1 5630 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,1,0,0,0,0|1,0,1]=3 5631 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,1,0,0,0,0|1,0,1]=3 5632 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,1,0,0,0,0|1,0,1]=3 5633 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,1,0,0,0,0|1,0,1]=3 5634 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,1,0,0,0,0|1,0,1]=3 5635 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,1,0,0,0,0|1,0,1]=3 5636 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,1,0,0,0,0|1,0,1]=3 5637 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,1,0,0,0,0|1,0,1]=3 5638 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,1,0,0,0,0|1,0,1]=3 5639 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,1,0,0,0,0|1,0,1]=3 5640 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,1,0,0,0,0|1,0,1]=3 5641 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|0,0,2]=3 5642 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|0,0,2]=3 5643 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,1,0,0,0,0|2,0,0]=3 5644 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,1,0,0,0,0|2,0,0]=3 5645 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,1,0,0,0,0|2,0,0]=3 5646 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,1,0,0,0,0|2,0,0]=3 5647 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,1,0,0,0,0|2,0,0]=3 5648 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,1,0,0,0,0|2,0,0]=3 5649 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,1,0,0,0,0|2,0,1]=4 5650 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,1,0,0,0,0|2,0,1]=4 5651 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 5652 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,1,0,0,0,0|2,0,1]=4 5653 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,1,0,0,0,0|2,0,1]=4 5654 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 5655 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,1,0,0,0,0|2,0,1]=4 5656 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,1,0,0,0,0|2,0,1]=4 5657 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 5658 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,1,0,0,0,0|2,0,1]=4 5659 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 5660 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,1,0,0,0,0|2,0,1]=4 5661 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,1,0,0,0,0|1,0,1]=3 5662 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,1,0,0,0,0|1,0,1]=3 5663 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,1,0,0,0,0|0,0,0]=1 5664 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,1,0,0,0,0|0,0,0]=1 5665 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,1,0,0,0,0|1,0,1]=3 5666 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,1,0,0,0,0|1,0,1]=3 5667 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,1,0,0,0,0|1,0,1]=3 5668 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|0,0,2]=3 5669 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|0,0,2]=3 5670 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,1,0,0,0,0|2,0,0]=3 5671 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,1,0,0,0,0|2,0,0]=3 5672 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,1,0,0,0,0|2,0,1]=4 5673 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,1,0,0,0,0|2,0,1]=4 5674 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,1,0,0,0,0|2,0,1]=4 5675 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,1,0,0,0,0|2,0,1]=4 5676 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,1,0,0,0,0|2,0,1]=4 5677 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,1,0,0,0,0|2,0,1]=4 5678 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,1,0,0,0,0|1,0,1]=3 5679 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,1,0,0,0,0|1,0,1]=3 5680 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,1,0,0,0,0|0,0,0]=1 5681 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,1,0,0,0,0|0,0,0]=1 5682 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,1,0,0,0,0|1,0,1]=3 5683 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,1,0,0,0,0|1,0,1]=3 5684 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|0,0,2]=3 5685 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|0,0,2]=3 5686 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|0,0,2]=3 5687 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|0,0,2]=3 5688 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,1,0,0,0,0|2,0,0]=3 5689 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,1,0,0,0,0|2,0,0]=3 5690 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,1,0,0,0,0|2,0,0]=3 5691 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,1,0,0,0,0|2,0,0]=3 5692 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,1,0,0,0,0|3,0,0]=4 5693 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,1,0,0,0,0|2,0,1]=4 5694 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,1,0,0,0,0|2,0,1]=4 5695 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,1,0,0,0,0|2,0,1]=4 5696 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,1,0,0,0,0|2,0,1]=4 5697 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,1,0,0,0,0|2,0,1]=4 5698 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,1,0,0,0,0|2,0,1]=4 5699 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,1,0,0,0,0|2,0,1]=4 5700 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,1,0,0,0,0|2,0,1]=4 5701 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,1,0,0,0,0|2,0,1]=4 5702 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,1,0,0,0,0|2,0,1]=4 5703 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,1,0,0,0,0|1,0,2]=4 5704 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,1,0,0,0,0|1,0,2]=4 5705 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,1,0,0,0,0|1,0,2]=4 5706 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,1,0,0,0,0|1,0,2]=4 5707 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,1,0,0,0,0|2,0,1]=4 5708 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,1,0,0,0,0|1,0,2]=4 5709 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,1,0,0,0,0|2,0,1]=4 5710 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,1,0,0,0,0|3,0,0]=4 5711 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,1,0,0,0,0|1,0,1]=3 5712 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,1,0,0,0,0|0,0,0]=1 5713 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|1,0,1]=3 5714 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|1,0,1]=3 5715 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|1,0,1]=3 5716 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|1,0,1]=3 5717 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|1,0,1]=3 5718 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|1,0,1]=3 5719 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|1,0,1]=3 5720 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|1,0,1]=3 5721 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|1,0,1]=3 5722 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|0,0,2]=3 5723 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|0,0,2]=3 5724 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,1,0,0,0,0|2,0,0]=3 5725 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,1,0,0,0,0|2,0,0]=3 5726 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,1,0,0,0,0|2,0,0]=3 5727 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,1,0,0,0,0|2,0,0]=3 5728 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,1,0,0,0,0|2,0,0]=3 5729 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,1,0,0,0,0|2,0,0]=3 5730 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,1,0,0,0,0|2,0,0]=3 5731 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,1,0,0,0,0|2,0,0]=3 5732 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,1,0,0,0,0|2,0,0]=3 5733 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,1,0,0,0,0|2,0,1]=4 5734 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,1,0,0,0,0|2,0,1]=4 5735 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,1,0,0,0,0|2,0,1]=4 5736 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 5737 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,1,0,0,0,0|2,0,1]=4 5738 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 5739 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 5740 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,1,0,0,0,0|2,0,1]=4 5741 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 5742 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,1,0,0,0,0|2,0,1]=4 5743 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,1,0,0,0,0|2,0,1]=4 5744 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,1,0,0,0,0|2,0,1]=4 5745 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,1,0,0,0,0|2,0,1]=4 5746 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,1,0,0,0,0|2,0,1]=4 5747 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|1,0,2]=4 5748 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|1,0,2]=4 5749 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,1,0,0,0,0|2,0,1]=4 5750 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,1,0,0,0,0|2,0,1]=4 5751 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,1,0,0,0,0|1,0,0]=2 5752 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,1,0,0,0,0|1,0,0]=2 5753 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,1,0,0,0,0|2,0,1]=4 5754 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,1,0,0,0,0|2,0,1]=4 5755 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,1,0,0,0,0|2,0,1]=4 5756 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,1,0,0,0,0|2,0,1]=4 5757 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,1,0,0,0,0|2,0,1]=4 5758 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,1,0,0,0,0|2,0,1]=4 5759 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,1,0,0,0,0|2,0,1]=4 5760 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,1,0,0,0,0|2,0,1]=4 5761 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,1,0,0,0,0|2,0,1]=4 5762 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,1,0,0,0,0|2,0,1]=4 5763 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,1,0,0,0,0|2,0,1]=4 5764 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,1,0,0,0,0|2,0,1]=4 5765 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,1,0,0,0,0|2,0,1]=4 5766 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,1,0,0,0,0|2,0,1]=4 5767 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,1,0,0,0,0|2,0,1]=4 5768 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,1,0,0,0,0|2,0,1]=4 5769 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,1,0,0,0,0|2,0,1]=4 5770 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,1,0,0,0,0|2,0,1]=4 5771 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,1,0,0,0,0|2,0,1]=4 5772 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,1,0,0,0,0|2,0,1]=4 5773 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,1,0,0,0,0|1,0,2]=4 5774 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,1,0,0,0,0|1,0,2]=4 5775 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,1,0,0,0,0|1,0,2]=4 5776 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,1,0,0,0,0|1,0,2]=4 5777 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,1,0,0,0,0|3,0,0]=4 5778 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,1,0,0,0,0|2,0,1]=4 5779 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,1,0,0,0,0|2,0,1]=4 5780 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,1,0,0,0,0|1,0,0]=2 5781 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,1,0,0,0,0|1,0,0]=2 5782 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,1,0,0,0,0|2,0,1]=4 5783 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,1,0,0,0,0|2,0,1]=4 5784 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,1,0,0,0,0|2,0,1]=4 5785 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,1,0,0,0,0|2,0,1]=4 5786 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,1,0,0,0,0|2,0,1]=4 5787 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,1,0,0,0,0|2,0,1]=4 5788 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,1,0,0,0,0|1,0,2]=4 5789 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,1,0,0,0,0|1,0,2]=4 5790 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,1,0,0,0,0|3,0,0]=4 5791 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,1,0,0,0,0|3,0,0]=4 5792 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,1,0,0,0,0|3,0,0]=4 5793 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,1,0,0,0,0|3,0,0]=4 5794 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,1,0,0,0,0|2,0,1]=4 5795 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,1,0,0,0,0|2,0,1]=4 5796 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,1,0,0,0,0|3,0,0]=4 5797 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,1,0,0,0,0|3,0,0]=4 5798 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,1,0,0,0,0|2,0,1]=4 5799 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,1,0,0,0,0|2,0,1]=4 5800 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,1,0,0,0,0|2,0,1]=4 5801 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,1,0,0,0,0|2,0,1]=4 5802 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,1,0,0,0,0|2,0,1]=4 5803 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,1,0,0,0,0|3,0,0]=4 5804 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,1,0,0,0,0|3,0,0]=4 5805 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,1,0,0,0,0|3,0,0]=4 5806 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,1,0,0,0,0|2,0,1]=4 5807 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,1,0,0,0,0|2,0,1]=4 5808 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,1,0,0,0,0|2,0,1]=4 5809 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,1,0,0,0,0|2,0,1]=4 5810 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,1,0,0,0,0|2,0,1]=4 5811 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,1,0,0,0,0|2,0,1]=4 5812 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,1,0,0,0,0|1,0,2]=4 5813 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,1,0,0,0,0|1,0,2]=4 5814 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,1,0,0,0,0|3,0,0]=4 5815 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,1,0,0,0,0|3,0,0]=4 5816 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,1,0,0,0,0|3,0,0]=4 5817 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,1,0,0,0,0|3,0,0]=4 5818 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,1,0,0,0,0|1,0,1]=3 5819 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,1,0,0,0,0|1,0,1]=3 5820 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,1,0,0,0,0|0,0,0]=1 5821 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,1,0,0,0,0|0,0,0]=1 5822 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,1,0,0,0,0|1,0,1]=3 5823 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,1,0,0,0,0|1,0,1]=3 5824 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|0,0,2]=3 5825 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|0,0,2]=3 5826 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,1,0,0,0,0|2,0,0]=3 5827 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,1,0,0,0,0|2,0,0]=3 5828 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,1,0,0,0,0|2,0,1]=4 5829 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,1,0,0,0,0|2,0,1]=4 5830 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,1,0,0,0,0|2,0,1]=4 5831 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,1,0,0,0,0|1,0,0]=2 5832 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,1,0,0,0,0|2,0,1]=4 5833 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,1,0,0,0,0|2,0,1]=4 5834 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|1,0,2]=4 5835 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,1,0,0,0,0|3,0,0]=4 5836 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,1,0,0,0,0|3,0,0]=4 5837 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,1,0,0,0,0|2,0,1]=4 5838 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,1,0,0,0,0|2,0,1]=4 5839 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,1,0,0,0,0|2,0,1]=4 5840 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,1,0,0,0,0|1,0,0]=2 5841 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,1,0,0,0,0|1,0,0]=2 5842 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,1,0,0,0,0|2,0,1]=4 5843 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,1,0,0,0,0|2,0,1]=4 5844 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,1,0,0,0,0|2,0,1]=4 5845 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,1,0,0,0,0|2,0,1]=4 5846 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,1,0,0,0,0|2,0,1]=4 5847 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,1,0,0,0,0|2,0,1]=4 5848 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,1,0,0,0,0|1,0,2]=4 5849 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,1,0,0,0,0|1,0,2]=4 5850 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,1,0,0,0,0|1,0,2]=4 5851 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,1,0,0,0,0|1,0,2]=4 5852 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,1,0,0,0,0|3,0,0]=4 5853 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,1,0,0,0,0|3,0,0]=4 5854 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,1,0,0,0,0|3,0,0]=4 5855 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|0,0,2]=3 5856 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|0,0,2]=3 5857 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|2,0,0]=3 5858 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|2,0,0]=3 5859 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,1,0,0,0,0|3,0,0]=4 5860 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 5861 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 5862 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,1,0,0,0,0|3,0,0]=4 5863 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,1,0,0,0,0|3,0,0]=4 5864 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|1,0,1]=3 5865 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|1,0,1]=3 5866 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|1,0,1]=3 5867 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|1,0,1]=3 5868 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|1,0,1]=3 5869 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|1,0,1]=3 5870 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|1,0,1]=3 5871 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|1,0,1]=3 5872 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|0,0,2]=3 5873 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|2,0,0]=3 5874 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,1,0,0,0,0|2,0,1]=4 5875 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,1,0,0,0,0|1,0,0]=2 5876 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,1,0,0,0,0|1,0,0]=2 5877 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 5878 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 5879 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|1,0,2]=4 5880 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|1,0,2]=4 5881 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,1,0,0,0,0|3,0,0]=4 5882 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,1,0,0,0,0|3,0,0]=4 5883 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,1,0,0,0,0|3,0,0]=4 5884 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,1,0,0,0,0|2,0,1]=4 5885 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,1,0,0,0,0|2,0,1]=4 5886 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,1,0,0,0,0|2,0,1]=4 5887 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,1,0,0,0,0|2,0,1]=4 5888 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,1,0,0,0,0|2,0,1]=4 5889 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,1,0,0,0,0|1,0,2]=4 5890 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,1,0,0,0,0|1,0,2]=4 5891 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,1,0,0,0,0|3,0,0]=4 5892 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,1,0,0,0,0|3,0,0]=4 5893 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,1,0,0,0,0|3,0,0]=4 5894 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,1,0,0,0,0|3,0,0]=4 5895 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,1,0,0,0,0|3,0,0]=4 5896 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,1,0,0,0,0|3,0,0]=4 5897 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,1,0,0,0,0|2,0,1]=4 5898 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,1,0,0,0,0|2,0,1]=4 5899 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,1,0,0,0,0|2,0,1]=4 5900 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,1,0,0,0,0|2,0,1]=4 5901 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,1,0,0,0,0|2,0,1]=4 5902 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,1,0,0,0,0|2,0,1]=4 5903 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,1,0,0,0,0|2,0,1]=4 5904 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,1,0,0,0,0|1,0,2]=4 5905 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,1,0,0,0,0|1,0,2]=4 5906 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,1,0,0,0,0|3,0,0]=4 5907 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,1,0,0,0,0|3,0,0]=4 5908 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,1,0,0,0,0|3,0,0]=4 5909 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,1,0,0,0,0|3,0,0]=4 5910 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,1,0,0,0,0|3,0,0]=4 5911 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,1,0,0,0,0|3,0,0]=4 5912 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,1,0,0,0,0|3,0,0]=4 5913 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,1,0,0,0,0|3,0,0]=4 5914 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,1,0,0,0,0|3,0,0]=4 5915 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,1,0,0,0,0|3,0,0]=4 5916 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,1,0,0,0,0|3,0,0]=4 5917 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,1,0,0,0,0|3,0,0]=4 5918 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,1,0,0,0,0|3,0,0]=4 5919 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,1,0,0,0,0|3,0,0]=4 5920 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,1,0,0,0,0|3,0,0]=4 5921 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,1,0,0,0,0|3,0,0]=4 5922 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,1,0,0,0,0|2,0,1]=4 5923 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,1,0,0,0,0|2,0,1]=4 5924 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,1,0,0,0,0|2,0,1]=4 5925 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,1,0,0,0,0|2,0,1]=4 5926 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,1,0,0,0,0|1,0,2]=4 5927 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,1,0,0,0,0|1,0,2]=4 5928 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,1,0,0,0,0|3,0,0]=4 5929 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,1,0,0,0,0|3,0,0]=4 5930 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,1,0,0,0,0|3,0,0]=4 5931 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,1,0,0,0,0|3,0,0]=4 5932 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,1,0,0,0,0|1,0,1]=3 5933 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,1,0,0,0,0|1,0,1]=3 5934 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,1,0,0,0,0|0,0,0]=1 5935 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,1,0,0,0,0|0,0,0]=1 5936 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,1,0,0,0,0|1,0,1]=3 5937 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,1,0,0,0,0|1,0,1]=3 5938 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|0,0,2]=3 5939 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|0,0,2]=3 5940 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,1,0,0,0,0|2,0,1]=4 5941 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,1,0,0,0,0|2,0,1]=4 5942 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,1,0,0,0,0|1,0,2]=4 5943 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,1,0,0,0,0|3,0,0]=4 5944 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,1,0,0,0,0|3,0,0]=4 5945 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,1,0,0,0,0|2,0,1]=4 5946 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,1,0,0,0,0|2,0,1]=4 5947 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,1,0,0,0,0|2,0,1]=4 5948 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,1,0,0,0,0|1,0,2]=4 5949 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,1,0,0,0,0|1,0,2]=4 5950 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,1,0,0,0,0|3,0,0]=4 5951 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,1,0,0,0,0|3,0,0]=4 5952 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,1,0,0,0,0|3,0,0]=4 5953 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,1,0,0,0,0|3,0,0]=4 5954 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,1,0,0,0,0|3,0,0]=4 5955 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,1,0,0,0,0|3,0,0]=4 5956 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,1,0,0,0,0|1,0,1]=3 5957 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|0,0,2]=3 5958 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|0,0,2]=3 5959 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|0,0,2]=3 5960 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,1,0,0,0,0|2,0,0]=3 5961 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|1,0,2]=4 5962 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|1,0,2]=4 5963 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|3,0,0]=4 5964 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|3,0,0]=4 5965 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|3,0,0]=4 5966 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,1,0,0,0,0|1,0,1]=3 5967 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,1,0,0,0,0|1,0,1]=3 5968 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,1,0,0,0,0|1,0,1]=3 5969 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|0,0,2]=3 5970 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,1,0,0,0,0|2,0,0]=3 5971 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,1,0,0,0,0|2,0,0]=3 5972 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,1,0,0,0,0|2,0,0]=3 5973 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,1,0,0,0,0|2,0,1]=4 5974 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,1,0,0,0,0|2,0,1]=4 5975 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,1,0,0,0,0|2,0,1]=4 5976 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,1,0,0,0,0|2,0,1]=4 5977 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,1,0,0,0,0|2,0,1]=4 5978 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,1,0,0,0,0|1,0,2]=4 5979 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,1,0,0,0,0|1,0,2]=4 5980 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,1,0,0,0,0|3,0,0]=4 5981 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,1,0,0,0,0|3,0,0]=4 5982 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,1,0,0,0,0|3,0,0]=4 5983 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,1,0,0,0,0|3,0,0]=4 5984 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,1,0,0,0,0|3,0,0]=4 5985 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,1,0,0,0,0|3,0,0]=4 5986 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,1,0,0,0,0|2,0,1]=4 5987 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,1,0,0,0,0|2,0,1]=4 5988 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,1,0,0,0,0|2,0,1]=4 5989 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,1,0,0,0,0|2,0,1]=4 5990 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,1,0,0,0,0|2,0,1]=4 5991 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,1,0,0,0,0|2,0,1]=4 5992 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,1,0,0,0,0|2,0,1]=4 5993 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,1,0,0,0,0|2,0,1]=4 5994 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,1,0,0,0,0|1,0,2]=4 5995 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,1,0,0,0,0|1,0,2]=4 5996 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,1,0,0,0,0|3,0,0]=4 5997 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,1,0,0,0,0|3,0,0]=4 5998 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,1,0,0,0,0|3,0,0]=4 5999 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,1,0,0,0,0|3,0,0]=4 6000 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,1,0,0,0,0|3,0,0]=4 6001 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,1,0,0,0,0|3,0,0]=4 6002 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,1,0,0,0,0|3,0,0]=4 6003 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,1,0,0,0,0|3,0,0]=4 6004 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,1,0,0,0,0|3,0,0]=4 6005 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,1,0,0,0,0|2,0,1]=4 6006 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,1,0,0,0,0|2,0,1]=4 6007 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,1,0,0,0,0|2,0,1]=4 6008 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,1,0,0,0,0|2,0,1]=4 6009 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,1,0,0,0,0|1,0,2]=4 6010 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,1,0,0,0,0|1,0,2]=4 6011 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,1,0,0,0,0|3,0,0]=4 6012 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,1,0,0,0,0|3,0,0]=4 6013 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,1,0,0,0,0|3,0,0]=4 6014 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,1,0,0,0,0|3,0,0]=4 6015 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,1,0,0,0,0|2,0,1]=4 6016 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,1,0,0,0,0|1,0,0]=2 6017 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,1,0,0,0,0|2,0,1]=4 6018 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,1,0,0,0,0|2,0,1]=4 6019 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,1,0,0,0,0|1,0,2]=4 6020 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,1,0,0,0,0|1,0,2]=4 6021 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,1,0,0,0,0|1,0,2]=4 6022 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,1,0,0,0,0|1,0,2]=4 6023 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,1,0,0,0,0|3,0,0]=4 6024 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,1,0,0,0,0|3,0,0]=4 6025 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,1,0,0,0,0|3,0,0]=4 6026 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,1,0,0,0,0|3,0,0]=4 6027 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,1,0,0,0,0|2,0,1]=4 6028 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,1,0,0,0,0|1,0,0]=2 6029 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,1,0,0,0,0|2,0,1]=4 6030 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,1,0,0,0,0|2,0,1]=4 6031 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,1,0,0,0,0|2,0,1]=4 6032 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,1,0,0,0,0|2,0,1]=4 6033 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,1,0,0,0,0|2,0,1]=4 6034 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,1,0,0,0,0|2,0,1]=4 6035 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,1,0,0,0,0|2,0,1]=4 6036 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,1,0,0,0,0|2,0,1]=4 6037 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,1,0,0,0,0|2,0,1]=4 6038 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,1,0,0,0,0|1,0,2]=4 6039 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,1,0,0,0,0|1,0,2]=4 6040 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,1,0,0,0,0|3,0,0]=4 6041 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,1,0,0,0,0|3,0,0]=4 6042 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,1,0,0,0,0|3,0,0]=4 6043 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,1,0,0,0,0|3,0,0]=4 6044 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,1,0,0,0,0|3,0,0]=4 6045 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,1,0,0,0,0|3,0,0]=4 6046 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,1,0,0,0,0|2,0,1]=4 6047 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,1,0,0,0,0|2,0,1]=4 6048 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,1,0,0,0,0|1,0,0]=2 6049 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,1,0,0,0,0|1,0,0]=2 6050 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,1,0,0,0,0|2,0,1]=4 6051 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,1,0,0,0,0|2,0,1]=4 6052 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,1,0,0,0,0|1,0,2]=4 6053 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,1,0,0,0,0|1,0,2]=4 6054 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,1,0,0,0,0|3,0,0]=4 6055 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,1,0,0,0,0|3,0,0]=4 6056 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,1,0,0,0,0|2,0,1]=4 6057 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,1,0,0,0,0|2,0,1]=4 6058 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,1,0,0,0,0|1,0,0]=2 6059 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,1,0,0,0,0|1,0,0]=2 6060 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,1,0,0,0,0|2,0,1]=4 6061 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,1,0,0,0,0|2,0,1]=4 6062 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,1,0,0,0,0|1,0,2]=4 6063 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,1,0,0,0,0|1,0,2]=4 6064 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,1,0,0,0,0|3,0,0]=4 6065 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,1,0,0,0,0|3,0,0]=4 6066 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,1,0,0,0,0|1,0,1]=3 6067 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,1,0,0,0,0|1,0,1]=3 6068 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|0,0,2]=3 6069 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|0,0,2]=3 6070 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,1,0,0,0,0|2,0,0]=3 6071 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,1,0,0,0,0|2,0,0]=3 6072 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,1,0,0,0,0|2,0,1]=4 6073 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,1,0,0,0,0|2,0,1]=4 6074 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,1,0,0,0,0|2,0,1]=4 6075 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,1,0,0,0,0|1,0,2]=4 6076 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,1,0,0,0,0|1,0,2]=4 6077 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,1,0,0,0,0|3,0,0]=4 6078 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,1,0,0,0,0|3,0,0]=4 6079 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,1,0,0,0,0|3,0,0]=4 6080 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,1,0,0,0,0|3,0,0]=4 6081 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,1,0,0,0,0|3,0,0]=4 6082 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,1,0,0,0,0|3,0,0]=4 6083 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,1,0,0,0,0|2,0,1]=4 6084 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,1,0,0,0,0|1,0,0]=2 6085 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,1,0,0,0,0|2,0,1]=4 6086 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,1,0,0,0,0|1,0,2]=4 6087 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,1,0,0,0,0|1,0,2]=4 6088 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,1,0,0,0,0|1,0,2]=4 6089 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,1,0,0,0,0|3,0,0]=4 6090 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,1,0,0,0,0|3,0,0]=4 6091 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,1,0,0,0,0|3,0,0]=4 6092 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,1,0,0,0,0|2,0,1]=4 6093 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,1,0,0,0,0|1,0,0]=2 6094 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,1,0,0,0,0|2,0,1]=4 6095 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,1,0,0,0,0|2,0,1]=4 6096 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,1,0,0,0,0|2,0,1]=4 6097 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,1,0,0,0,0|2,0,1]=4 6098 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,1,0,0,0,0|2,0,1]=4 6099 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,1,0,0,0,0|2,0,1]=4 6100 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,1,0,0,0,0|2,0,1]=4 6101 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,1,0,0,0,0|2,0,1]=4 6102 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,1,0,0,0,0|2,0,1]=4 6103 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,1,0,0,0,0|1,0,2]=4 6104 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,1,0,0,0,0|1,0,2]=4 6105 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,1,0,0,0,0|3,0,0]=4 6106 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,1,0,0,0,0|3,0,0]=4 6107 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,1,0,0,0,0|3,0,0]=4 6108 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,1,0,0,0,0|3,0,0]=4 6109 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,1,0,0,0,0|3,0,0]=4 6110 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,1,0,0,0,0|3,0,0]=4 6111 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,1,0,0,0,0|2,0,1]=4 6112 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,1,0,0,0,0|2,0,1]=4 6113 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,1,0,0,0,0|1,0,0]=2 6114 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,1,0,0,0,0|1,0,0]=2 6115 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,1,0,0,0,0|2,0,1]=4 6116 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,1,0,0,0,0|2,0,1]=4 6117 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,1,0,0,0,0|1,0,2]=4 6118 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,1,0,0,0,0|1,0,2]=4 6119 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,1,0,0,0,0|3,0,0]=4 6120 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,1,0,0,0,0|3,0,0]=4 6121 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|0,0,2]=3 6122 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|0,0,2]=3 6123 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|0,0,2]=3 6124 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|0,0,2]=3 6125 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|0,0,2]=3 6126 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,1,0,0,0,0|3,0,0]=4 6127 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,1,0,0,0,0|1,0,0]=2 6128 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,1,0,0,0,0|2,0,1]=4 6129 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,1,0,0,0,0|1,0,2]=4 6130 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,1,0,0,0,0|3,0,0]=4 6131 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,1,0,0,0,0|2,0,1]=4 6132 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,1,0,0,0,0|1,0,2]=4 6133 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,1,0,0,0,0|3,0,0]=4 6134 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,1,0,0,0,0|2,0,0]=3 6135 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|1,0,1]=3 6136 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|1,0,1]=3 6137 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|1,0,1]=3 6138 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|1,0,1]=3 6139 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|1,0,1]=3 6140 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|0,0,2]=3 6141 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,1,0,0,0,0|2,0,1]=4 6142 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,1,0,0,0,0|2,0,1]=4 6143 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,1,0,0,0,0|2,0,1]=4 6144 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,1,0,0,0,0|2,0,1]=4 6145 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,1,0,0,0,0|2,0,1]=4 6146 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,1,0,0,0,0|1,0,0]=2 6147 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,1,0,0,0,0|1,0,0]=2 6148 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 6149 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 6150 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|2,0,1]=4 6151 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|1,0,2]=4 6152 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|1,0,2]=4 6153 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,1,0,0,0,0|3,0,0]=4 6154 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,1,0,0,0,0|3,0,0]=4 6155 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,1,0,0,0,0|3,0,0]=4 6156 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,1,0,0,0,0|2,0,1]=4 6157 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,1,0,0,0,0|2,0,1]=4 6158 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,1,0,0,0,0|3,0,0]=4 6159 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,1,0,0,0,0|3,0,0]=4 6160 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,1,0,0,0,0|2,0,1]=4 6161 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,1,0,0,0,0|2,0,1]=4 6162 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,1,0,0,0,0|2,0,1]=4 6163 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,1,0,0,0,0|2,0,1]=4 6164 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,1,0,0,0,0|2,0,1]=4 6165 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,1,0,0,0,0|1,0,2]=4 6166 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,1,0,0,0,0|3,0,0]=4 6167 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,1,0,0,0,0|3,0,0]=4 6168 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,1,0,0,0,0|3,0,0]=4 6169 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,1,0,0,0,0|3,0,0]=4 6170 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,1,0,0,0,0|3,0,0]=4 6171 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,1,0,0,0,0|3,0,0]=4 6172 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,1,0,0,0,0|2,0,1]=4 6173 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,1,0,0,0,0|2,0,1]=4 6174 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,1,0,0,0,0|2,0,1]=4 6175 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,1,0,0,0,0|2,0,1]=4 6176 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,1,0,0,0,0|1,0,2]=4 6177 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,1,0,0,0,0|1,0,2]=4 6178 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,1,0,0,0,0|3,0,0]=4 6179 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,1,0,0,0,0|3,0,0]=4 6180 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,1,0,0,0,0|3,0,0]=4 6181 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,1,0,0,0,0|3,0,0]=4 6182 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,1,0,0,0,0|2,0,1]=4 6183 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,1,0,0,0,0|1,0,2]=4 6184 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,1,0,0,0,0|1,0,2]=4 6185 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,1,0,0,0,0|1,0,2]=4 6186 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,1,0,0,0,0|3,0,0]=4 6187 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,1,0,0,0,0|3,0,0]=4 6188 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,1,0,0,0,0|2,0,1]=4 6189 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,1,0,0,0,0|2,0,1]=4 6190 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,1,0,0,0,0|2,0,1]=4 6191 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,1,0,0,0,0|2,0,1]=4 6192 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,1,0,0,0,0|2,0,1]=4 6193 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,1,0,0,0,0|2,0,1]=4 6194 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,1,0,0,0,0|2,0,1]=4 6195 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,1,0,0,0,0|2,0,1]=4 6196 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,1,0,0,0,0|1,0,2]=4 6197 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,1,0,0,0,0|3,0,0]=4 6198 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,1,0,0,0,0|3,0,0]=4 6199 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,1,0,0,0,0|3,0,0]=4 6200 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,1,0,0,0,0|3,0,0]=4 6201 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,1,0,0,0,0|3,0,0]=4 6202 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,1,0,0,0,0|3,0,0]=4 6203 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,1,0,0,0,0|3,0,0]=4 6204 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,1,0,0,0,0|2,0,1]=4 6205 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,1,0,0,0,0|2,0,1]=4 6206 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,1,0,0,0,0|1,0,0]=2 6207 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,1,0,0,0,0|1,0,0]=2 6208 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,1,0,0,0,0|2,0,1]=4 6209 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,1,0,0,0,0|2,0,1]=4 6210 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,1,0,0,0,0|1,0,2]=4 6211 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,1,0,0,0,0|1,0,2]=4 6212 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,1,0,0,0,0|3,0,0]=4 6213 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,1,0,0,0,0|2,0,1]=4 6214 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,1,0,0,0,0|1,0,0]=2 6215 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,1,0,0,0,0|2,0,1]=4 6216 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,1,0,0,0,0|1,0,2]=4 6217 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,1,0,0,0,0|1,0,2]=4 6218 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,1,0,0,0,0|1,0,2]=4 6219 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,1,0,0,0,0|2,0,1]=4 6220 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,1,0,0,0,0|2,0,1]=4 6221 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,1,0,0,0,0|2,0,1]=4 6222 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,1,0,0,0,0|2,0,1]=4 6223 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,1,0,0,0,0|2,0,1]=4 6224 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,1,0,0,0,0|2,0,1]=4 6225 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,1,0,0,0,0|2,0,1]=4 6226 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,1]=4 6227 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,1,0,0,0,0|1,0,2]=4 6228 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,1,0,0,0,0|3,0,0]=4 6229 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,1,0,0,0,0|3,0,0]=4 6230 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,1,0,0,0,0|2,0,0]=3 6231 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,1,0,0,0,0|2,0,0]=3 6232 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,1,0,0,0,0|2,0,0]=3 6233 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,1,0,0,0,0|2,0,0]=3 6234 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,1,0,0,0,0|2,0,0]=3 6235 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,1,0,0,0,0|2,0,0]=3 6236 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,1,0,0,0,0|2,0,1]=4 6237 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,1,0,0,0,0|2,0,1]=4 6238 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,1,0,0,0,0|1,0,0]=2 6239 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,1,0,0,0,0|1,0,0]=2 6240 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,1,0,0,0,0|2,0,1]=4 6241 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,1,0,0,0,0|2,0,1]=4 6242 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,1,0,0,0,0|1,0,2]=4 6243 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,1,0,0,0,0|1,0,2]=4 6244 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|1,0,2]=4 6245 B10R0.71 COCSCCCCCC#N 62a_100000766300_100009813376 [0,1,0,0,0,0|2,0,1]=4 6246 B10R0.71 COCSCCCCCC#N 62a_100009813376_100000766300 [0,1,0,0,0,0|2,0,1]=4 6247 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,1,0,0,0,0|1,0,0]=2 6248 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,1,0,0,0,0|1,0,0]=2 6249 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,1,0,0,0,0|2,0,1]=4 6250 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,1,0,0,0,0|2,0,1]=4 6251 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,1,0,0,0,0|1,0,2]=4 6252 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,1,0,0,0,0|1,0,2]=4 6253 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|0,0,2]=3 6254 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|0,0,2]=3 6255 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,1,0,0,0,0|2,0,1]=4 6256 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,1,0,0,0,0|2,0,1]=4 6257 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,1,0,0,0,0|2,0,1]=4 6258 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,1,0,0,0,0|1,0,2]=4 6259 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,1,0,0,0,0|1,0,2]=4 6260 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,1,0,0,0,0|3,0,0]=4 6261 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,1,0,0,0,0|3,0,0]=4 6262 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,1,0,0,0,0|2,0,1]=4 6263 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,1,0,0,0,0|1,0,0]=2 6264 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,1,0,0,0,0|2,0,1]=4 6265 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,1,0,0,0,0|1,0,2]=4 6266 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,1,0,0,0,0|2,0,1]=4 6267 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,1,0,0,0,0|1,0,0]=2 6268 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,1,0,0,0,0|2,0,1]=4 6269 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,1,0,0,0,0|2,0,1]=4 6270 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,1,0,0,0,0|1,0,2]=4 6271 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,1,0,0,0,0|1,0,2]=4 6272 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,1,0,0,0,0|2,0,1]=4 6273 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,1,0,0,0,0|1,0,0]=2 6274 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,1,0,0,0,0|2,0,1]=4 6275 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,1,0,0,0,0|1,0,2]=4 6276 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,1,0,0,0,0|1,0,2]=4 6277 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,1,0,0,0,0|1,0,2]=4 6278 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,1,0,0,0,0|2,0,1]=4 6279 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,1,0,0,0,0|1,0,0]=2 6280 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,1,0,0,0,0|2,0,1]=4 6281 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,1,0,0,0,0|2,0,1]=4 6282 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,1,0,0,0,0|2,0,1]=4 6283 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,1,0,0,0,0|2,0,1]=4 6284 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,1,0,0,0,0|2,0,1]=4 6285 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,1,0,0,0,0|2,0,1]=4 6286 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,1,0,0,0,0|2,0,1]=4 6287 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,1,0,0,0,0|2,0,1]=4 6288 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,1,0,0,0,0|2,0,1]=4 6289 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,1,0,0,0,0|1,0,2]=4 6290 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,1,0,0,0,0|1,0,2]=4 6291 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,1,0,0,0,0|2,0,1]=4 6292 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,1,0,0,0,0|2,0,1]=4 6293 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,1,0,0,0,0|1,0,0]=2 6294 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,1,0,0,0,0|1,0,0]=2 6295 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,1,0,0,0,0|2,0,1]=4 6296 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,1,0,0,0,0|2,0,1]=4 6297 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,1,0,0,0,0|1,0,2]=4 6298 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,1,0,0,0,0|1,0,2]=4 6299 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,1,0,0,0,0|1,0,2]=4 6300 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,1,0,0,0,0|1,0,2]=4 6301 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,1,0,0,0,0|2,0,1]=4 6302 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,1,0,0,0,0|2,0,1]=4 6303 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,1,0,0,0,0|2,0,1]=4 6304 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,1,0,0,0,0|2,0,1]=4 6305 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,1,0,0,0,0|2,0,1]=4 6306 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,1,0,0,0,0|2,0,1]=4 6307 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,1,0,0,0,0|1,0,0]=2 6308 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,1,0,0,0,0|1,0,0]=2 6309 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,1,0,0,0,0|2,0,1]=4 6310 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,1,0,0,0,0|2,0,1]=4 6311 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,1,0,0,0,0|1,0,2]=4 6312 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,1,0,0,0,0|1,0,2]=4 6313 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,1,0,0,0,0|2,0,1]=4 6314 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,1,0,0,0,0|2,0,1]=4 6315 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,1,0,0,0,0|2,0,1]=4 6316 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,1,0,0,0,0|2,0,1]=4 6317 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,1,0,0,0,0|2,0,1]=4 6318 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,1,0,0,0,0|2,0,1]=4 6319 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,1,0,0,0,0|2,0,1]=4 6320 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,1,0,0,0,0|2,0,1]=4 6321 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,1,0,0,0,0|2,0,1]=4 6322 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,1,0,0,0,0|2,0,1]=4 6323 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,1,0,0,0,0|2,0,1]=4 6324 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,1,0,0,0,0|2,0,1]=4 6325 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,1,0,0,0,0|2,0,1]=4 6326 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,1,0,0,0,0|2,0,1]=4 6327 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,1,0,0,0,0|2,0,1]=4 6328 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,1,0,0,0,0|2,0,1]=4 6329 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,1,0,0,0,0|2,0,1]=4 6330 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,1,0,0,0,0|2,0,1]=4 6331 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,1,0,0,0,0|2,0,1]=4 6332 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,1,0,0,0,0|2,0,1]=4 6333 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,1,0,0,0,0|2,0,1]=4 6334 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,1,0,0,0,0|2,0,1]=4 6335 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,1,0,0,0,0|2,0,1]=4 6336 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,1,0,0,0,0|2,0,1]=4 6337 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,1,0,0,0,0|2,0,1]=4 6338 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,1,0,0,0,0|2,0,1]=4 6339 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,1,0,0,0,0|2,0,1]=4 6340 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,1,0,0,0,0|2,0,1]=4 6341 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,1,0,0,0,0|2,0,1]=4 6342 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,1,0,0,0,0|2,0,1]=4 6343 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,1,0,0,0,0|2,0,1]=4 6344 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,1,0,0,0,0|2,0,1]=4 6345 B10R0.71 N#CCCCCCCSCF 62a_100009813337_100015361967 [0,1,0,0,0,0|2,0,1]=4 6346 B10R0.71 N#CCCCCCCSCF 62a_100015361967_100009813337 [0,1,0,0,0,0|2,0,1]=4 6347 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,1,0,0,0,0|2,0,1]=4 6348 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [0,1,0,0,0,0|1,0,1]=3 6349 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [0,1,0,0,0,0|1,0,1]=3 6350 B10R0.71 N#CCCCCCSCCF 62a_100009813376_100011217306 [0,1,0,0,0,0|2,0,1]=4 6351 B10R0.71 N#CCCCCCSCCF 62a_100011217306_100009813376 [0,1,0,0,0,0|2,0,1]=4 6352 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,1,0,0,0,0|2,0,1]=4 6353 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,1,0,0,0,0|2,0,1]=4 6354 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,1,0,0,0,0|2,0,1]=4 6355 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,1,0,0,0,0|2,0,1]=4 6356 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,1,0,0,0,0|2,0,1]=4 6357 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,1,0,0,0,0|2,0,1]=4 6358 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,1,0,0,0,0|2,0,1]=4 6359 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,1,0,0,0,0|2,0,1]=4 6360 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,1,0,0,0,0|2,0,1]=4 6361 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,1,0,0,0,0|2,0,1]=4 6362 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [0,1,0,0,0,0|1,0,1]=3 6363 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [0,1,0,0,0,0|1,0,1]=3 6364 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,1,0,0,0,0|2,0,1]=4 6365 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,1,0,0,0,0|2,0,1]=4 6366 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,1,0,0,0,0|2,0,1]=4 6367 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,1,0,0,0,0|2,0,1]=4 6368 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,1,0,0,0,0|2,0,1]=4 6369 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,1,0,0,0,0|2,0,1]=4 6370 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,1,0,0,0,0|2,0,1]=4 6371 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,1,0,0,0,0|2,0,1]=4 6372 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [0,1,0,0,0,0|1,0,1]=3 6373 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [0,1,0,0,0,0|1,0,1]=3 6374 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,1,0,0,0,0|2,0,1]=4 6375 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,1,0,0,0,0|2,0,1]=4 6376 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,1,0,0,0,0|2,0,1]=4 6377 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,1,0,0,0,0|2,0,1]=4 6378 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,1,0,0,0,0|2,0,1]=4 6379 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,1,0,0,0,0|2,0,1]=4 6380 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,1,0,0,0,0|2,0,1]=4 6381 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,1,0,0,0,0|2,0,1]=4 6382 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [0,1,0,0,0,0|1,0,1]=3 6383 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [0,1,0,0,0,0|1,0,1]=3 6384 B10R0.71 N#CCSCCCCCCF 62a_100011215382_100015922095 [0,1,0,0,0,0|2,0,1]=4 6385 B10R0.71 N#CCSCCCCCCF 62a_100015922095_100011215382 [0,1,0,0,0,0|2,0,1]=4 6386 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,1,0,0,0,0|2,0,1]=4 6387 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,1,0,0,0,0|2,0,1]=4 6388 B10R0.71 N#CSCCSCCCC=O 62a_100000034367_200011292268 [0,1,0,0,0,0|2,0,1]=4 6389 B10R0.71 N#CSCCSCCCC=O 62a_200011292268_100000034367 [0,1,0,0,0,0|2,0,1]=4 6390 B10R0.71 N#CSCSCCCCC=O 62a_100000139335_100000211825 [0,1,0,0,0,0|2,0,1]=4 6391 B10R0.71 N#CSCSCCCCC=O 62a_100000211825_100000139335 [0,1,0,0,0,0|2,0,1]=4 6392 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,1,0,0,0,0|2,0,1]=4 6393 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,0]=2 6394 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|2,0,1]=4 6395 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,2]=4 6396 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|2,0,1]=4 6397 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,2]=4 6398 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|2,0,1]=4 6399 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,2]=4 6400 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,1,0,0,0,0|2,0,1]=4 6401 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,1,0,0,0,0|1,0,2]=4 6402 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,1,0,0,0,0|2,0,1]=4 6403 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,1,0,0,0,0|1,0,2]=4 6404 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,1,0,0,0,0|3,0,0]=4 6405 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,1,0,0,0,0|3,0,0]=4 6406 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,1,0,0,0,0|1,0,0]=2 6407 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [0,1,0,0,0,0|1,0,1]=3 6408 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [0,1,0,0,0,0|1,0,1]=3 6409 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,1,0,0,0,0|1,0,0]=2 6410 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,1,0,0,0,0|1,0,0]=2 6411 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,1,0,0,0,0|1,0,0]=2 6412 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,1,0,0,0,0|1,0,0]=2 6413 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,1,0,0,0,0|1,0,0]=2 6414 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,1,0,0,0,0|1,0,0]=2 6415 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,1,0,0,0,0|1,0,0]=2 6416 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,1,0,0,0,0|1,0,0]=2 6417 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,1,0,0,0,0|1,0,0]=2 6418 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,1,0,0,0,0|1,0,0]=2 6419 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,1,0,0,0,0|1,0,0]=2 6420 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,1,0,0,0,0|1,0,0]=2 6421 B10R0.71 O=CCCCSCC#CCO 62a_200000047223_200011292268 [0,1,0,0,0,0|1,0,2]=4 6422 B10R0.71 O=CCCCSCC#CCO 62a_200011292268_200000047223 [0,1,0,0,0,0|1,0,2]=4 6423 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [0,1,0,0,0,0|1,0,1]=3 6424 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,1,0,0,0,0|1,0,0]=2 6425 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,1,0,0,0,0|1,0,0]=2 6426 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,1,0,0,0,0|1,0,0]=2 6427 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,1,0,0,0,0|1,0,0]=2 6428 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,1,0,0,0,0|1,0,0]=2 6429 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,0]=2 6430 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,1,0,0,0,0|1,0,0]=2 6431 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,1,0,0,0,0|1,0,0]=2 6432 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,1,0,0,0,0|1,0,0]=2 6433 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,1,0,0,0,0|1,0,0]=2 6434 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,1,0,0,0,0|1,0,0]=2 6435 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,1,0,0,0,0|1,0,0]=2 6436 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,1,0,0,0,0|1,0,0]=2 6437 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,1,0,0,0,0|1,0,0]=2 6438 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,1,0,0,0,0|1,0,0]=2 6439 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,1,0,0,0,0|1,0,0]=2 6440 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|1,0,2]=4 6441 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|1,0,2]=4 6442 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|1,0,2]=4 6443 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|1,0,2]=4 6444 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|1,0,2]=4 6445 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|1,0,2]=4 6446 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|1,0,2]=4 6447 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|1,0,2]=4 6448 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,2]=4 6449 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|1,0,2]=4 6450 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,1,0,0,0,0|1,0,2]=4 6451 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,1,0,0,0,0|1,0,2]=4 6452 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,1,0,0,0,0|1,0,2]=4 6453 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,1,0,0,0,0|1,0,2]=4 6454 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,1,0,0,0,0|1,0,2]=4 6455 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,1,0,0,0,0|1,0,2]=4 6456 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,1,0,0,0,0|1,0,2]=4 6457 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|1,0,2]=4 6458 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,1,0,0,0,0|1,0,2]=4 6459 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,1,0,0,0,0|1,0,2]=4 6460 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,2]=4 6461 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,1,0,0,0,0|1,0,2]=4 6462 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,1,0,0,0,0|1,0,2]=4 6463 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,1,0,0,0,0|1,0,2]=4 6464 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,1,0,0,0,0|1,0,2]=4 6465 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,1,0,0,0,0|1,0,2]=4 6466 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,1,0,0,0,0|1,0,2]=4 6467 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,1,0,0,0,0|1,0,2]=4 6468 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,1,0,0,0,0|1,0,2]=4 6469 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|1,0,2]=4 6470 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,1,0,0,0,0|1,0,2]=4 6471 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,2]=4 6472 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,1,0,0,0,0|1,0,2]=4 6473 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,1,0,0,0,0|1,0,2]=4 6474 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,1,0,0,0,0|1,0,2]=4 6475 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,1,0,0,0,0|1,0,2]=4 6476 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,1,0,0,0,0|1,0,2]=4 6477 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,1,0,0,0,0|1,0,2]=4 6478 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,1,0,0,0,0|1,0,2]=4 6479 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,1,0,0,0,0|1,0,2]=4 6480 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,1,0,0,0,0|1,0,2]=4 6481 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,1,0,0,0,0|1,0,2]=4 6482 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,1,0,0,0,0|1,0,2]=4 6483 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,1,0,0,0,0|1,0,2]=4 6484 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,1,0,0,0,0|1,0,2]=4 6485 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,1,0,0,0,0|1,0,2]=4 6486 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,1,0,0,0,0|1,0,2]=4 6487 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,1,0,0,0,0|1,0,2]=4 6488 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,1,0,0,0,0|1,0,2]=4 6489 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|1,0,2]=4 6490 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|1,0,2]=4 6491 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,1,0,0,0,0|1,0,2]=4 6492 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,1,0,0,0,0|1,0,2]=4 6493 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,1,0,0,0,0|1,0,2]=4 6494 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,1,0,0,0,0|1,0,2]=4 6495 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,1,0,0,0,0|1,0,2]=4 6496 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,1,0,0,0,0|1,0,2]=4 6497 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,1,0,0,0,0|1,0,2]=4 6498 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,1,0,0,0,0|1,0,2]=4 6499 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|0,0,2]=3 6500 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|0,0,2]=3 6501 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,1,0,0,0,0|3,0,0]=4 6502 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|1,0,1]=3 6503 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|1,0,1]=3 6504 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|1,0,1]=3 6505 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|1,0,1]=3 6506 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|1,0,1]=3 6507 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|2,0,1]=4 6508 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|0,0,2]=3 6509 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|0,0,2]=3 6510 B10R0.71 [N-]=[N+]=NCCCCNCC=O 2230a_100000101370_200015260668 [0,1,0,0,0,0|3,0,0]=4 6511 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|1,0,2]=4 6512 B10R0.74 C#CC(C)NCCCCC=O 2230a_100000707721_100000139335 [0,1,0,0,0,0|1,0,2]=4 6513 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,1,0,0,0,0|2,0,1]=4 6514 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,1,0,0,0,0|2,0,1]=4 6515 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,1,0,0,0,0|2,0,1]=4 6516 B10R0.74 C#CC(C)SCCCCC=O 62a_200000035995_100000139335 [0,1,0,0,0,0|1,0,2]=4 6517 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,1,0,0,0,0|2,0,1]=4 6518 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,1,0,0,0,0|2,0,1]=4 6519 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,1,0,0,0,0|2,0,1]=4 6520 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,1,0,0,0,0|2,0,1]=4 6521 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,1,0,0,0,0|2,0,1]=4 6522 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,1,0,0,0,0|2,0,1]=4 6523 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,1,0,0,0,0|2,0,1]=4 6524 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,1,0,0,0,0|2,0,1]=4 6525 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,1,0,0,0,0|2,0,1]=4 6526 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|1,0,2]=4 6527 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|1,0,2]=4 6528 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,1,0,0,0,0|2,0,1]=4 6529 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,1,0,0,0,0|2,0,1]=4 6530 B10R0.74 C#CCCCCNC(C)CC 2230a_100000209981_100010269958 [0,1,0,0,0,0|2,0,1]=4 6531 B10R0.74 C#CCCCCNC(C)CC 2230a_100000706060_100000758301 [0,1,0,0,0,0|2,0,1]=4 6532 B10R0.74 C#CCCCCNC(C)CC 34a_100000706060_100011215416 [0,1,0,0,0,0|2,0,1]=4 6533 B10R0.74 C#CCCCCOC(C)CC 34a_100000766709_100011215416 [0,1,0,0,0,0|2,0,1]=4 6534 B10R0.74 C#CCCCCOC(C)CC 7a_100000210228_100010269958 [0,1,0,0,0,0|2,0,1]=4 6535 B10R0.74 C#CCCCCOC(C)CC 7a_100000766709_100000758301 [0,1,0,0,0,0|2,0,1]=4 6536 B10R0.74 C#CCCCCSC(C)CC 62a_100000758301_100010269958 [0,1,0,0,0,0|2,0,1]=4 6537 B10R0.74 C#CCCCCSC(C)CC 62a_100010269958_100000758301 [0,1,0,0,0,0|2,0,1]=4 6538 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,1,0,0,0,0|2,0,1]=4 6539 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,1,0,0,0,0|2,0,1]=4 6540 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,1,0,0,0,0|2,0,1]=4 6541 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,1,0,0,0,0|2,0,1]=4 6542 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,1,0,0,0,0|2,0,1]=4 6543 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,1,0,0,0,0|2,0,1]=4 6544 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,1,0,0,0,0|2,0,1]=4 6545 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,1,0,0,0,0|2,0,1]=4 6546 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,1,0,0,0,0|2,0,1]=4 6547 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,1,0,0,0,0|2,0,1]=4 6548 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,1,0,0,0,0|2,0,1]=4 6549 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,1,0,0,0,0|2,0,1]=4 6550 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,1,0,0,0,0|2,0,1]=4 6551 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,1,0,0,0,0|2,0,1]=4 6552 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,1,0,0,0,0|2,0,1]=4 6553 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,1,0,0,0,0|2,0,1]=4 6554 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,1,0,0,0,0|2,0,1]=4 6555 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,1,0,0,0,0|2,0,1]=4 6556 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,1,0,0,0,0|2,0,1]=4 6557 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,1,0,0,0,0|2,0,1]=4 6558 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,1,0,0,0,0|2,0,1]=4 6559 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,1,0,0,0,0|2,0,1]=4 6560 B10R0.74 C#C[C@@H](C)OCCCCC=O 7a_100009815206_100000139335 [0,1,0,0,0,0|1,0,2]=4 6561 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,1,0,0,0,0|2,0,1]=4 6562 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,1,0,0,0,0|2,0,1]=4 6563 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,1,0,0,0,0|2,0,1]=4 6564 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,1,0,0,0,0|2,0,1]=4 6565 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,1,0,0,0,0|2,0,1]=4 6566 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,1,0,0,0,0|2,0,1]=4 6567 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|1,0,1]=3 6568 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,0,0,0,0|2,0,1]=4 6569 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|2,0,1]=4 6570 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,0,0,0,0|2,0,1]=4 6571 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,0,0,0,0|2,0,1]=4 6572 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,0,0,0,0|2,0,1]=4 6573 B10R0.74 C=CC(C)COCCCC=O 7a_100011215527_200011292268 [0,1,0,0,0,0|1,0,2]=4 6574 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,1,0,0,0,0|2,0,0]=3 6575 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,1,0,0,0,0|2,0,0]=3 6576 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,1,0,0,0,0|3,0,0]=4 6577 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,1,0,0,0,0|3,0,0]=4 6578 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,1,0,0,0,0|3,0,0]=4 6579 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,1,0,0,0,0|3,0,0]=4 6580 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,1,0,0,0,0|3,0,0]=4 6581 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,1,0,0,0,0|3,0,0]=4 6582 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,1,0,0,0,0|3,0,0]=4 6583 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,1,0,0,0,0|3,0,0]=4 6584 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,1,0,0,0,0|3,0,0]=4 6585 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,1,0,0,0,0|3,0,0]=4 6586 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,1,0,0,0,0|2,0,0]=3 6587 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,1,0,0,0,0|3,0,0]=4 6588 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,1,0,0,0,0|3,0,0]=4 6589 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,1,0,0,0,0|3,0,0]=4 6590 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,1,0,0,0,0|3,0,0]=4 6591 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,1,0,0,0,0|3,0,0]=4 6592 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,1,0,0,0,0|3,0,0]=4 6593 B10R0.74 C=CC(C)SCCCCC=O 62a_100011215867_100000139335 [0,1,0,0,0,0|1,0,2]=4 6594 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,1,0,0,0,0|2,0,0]=3 6595 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,1,0,0,0,0|3,0,0]=4 6596 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,1,0,0,0,0|3,0,0]=4 6597 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,1,0,0,0,0|3,0,0]=4 6598 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,1,0,0,0,0|3,0,0]=4 6599 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,1,0,0,0,0|3,0,0]=4 6600 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,1,0,0,0,0|3,0,0]=4 6601 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|2,0,0]=3 6602 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,1,0,0,0,0|3,0,0]=4 6603 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,1,0,0,0,0|3,0,0]=4 6604 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,1,0,0,0,0|3,0,0]=4 6605 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,1,0,0,0,0|3,0,0]=4 6606 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,1,0,0,0,0|3,0,0]=4 6607 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,1,0,0,0,0|3,0,0]=4 6608 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,1,0,0,0,0|3,0,0]=4 6609 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,1,0,0,0,0|3,0,0]=4 6610 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|2,0,0]=3 6611 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|2,0,0]=3 6612 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,1,0,0,0,0|3,0,0]=4 6613 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,1,0,0,0,0|3,0,0]=4 6614 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,1,0,0,0,0|3,0,0]=4 6615 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,1,0,0,0,0|3,0,0]=4 6616 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,1,0,0,0,0|3,0,0]=4 6617 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,1,0,0,0,0|3,0,0]=4 6618 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,1,0,0,0,0|3,0,0]=4 6619 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,1,0,0,0,0|3,0,0]=4 6620 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,1,0,0,0,0|3,0,0]=4 6621 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,1,0,0,0,0|3,0,0]=4 6622 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,1,0,0,0,0|3,0,0]=4 6623 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,1,0,0,0,0|3,0,0]=4 6624 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,1,0,0,0,0|3,0,0]=4 6625 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,1,0,0,0,0|3,0,0]=4 6626 B10R0.74 C=CC(O)CSCCCC=O 62a_100000730141_200011292268 [0,1,0,0,0,0|1,0,2]=4 6627 B10R0.74 C=CC(O)CSCCCC=O 62a_200011292268_100000730141 [0,1,0,0,0,0|1,0,2]=4 6628 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|2,0,0]=3 6629 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|2,0,0]=3 6630 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,1,0,0,0,0|3,0,0]=4 6631 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,1,0,0,0,0|3,0,0]=4 6632 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,1,0,0,0,0|3,0,0]=4 6633 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,1,0,0,0,0|3,0,0]=4 6634 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,1,0,0,0,0|3,0,0]=4 6635 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,1,0,0,0,0|3,0,0]=4 6636 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,1,0,0,0,0|3,0,0]=4 6637 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,1,0,0,0,0|3,0,0]=4 6638 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,1,0,0,0,0|3,0,0]=4 6639 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,1,0,0,0,0|3,0,0]=4 6640 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|1,0,1]=3 6641 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|1,0,1]=3 6642 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,1,0,0,0,0|2,0,1]=4 6643 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|2,0,1]=4 6644 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,1,0,0,0,0|2,0,1]=4 6645 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,1,0,0,0,0|2,0,1]=4 6646 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,1,0,0,0,0|2,0,1]=4 6647 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,1,0,0,0,0|2,0,1]=4 6648 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,1,0,0,0,0|2,0,0]=3 6649 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,1,0,0,0,0|2,0,0]=3 6650 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 6651 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 6652 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 6653 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 6654 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,1,0,0,0,0|2,0,0]=3 6655 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,1,0,0,0,0|2,0,0]=3 6656 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,1,0,0,0,0|2,0,0]=3 6657 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,1,0,0,0,0|3,0,0]=4 6658 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,1,0,0,0,0|3,0,0]=4 6659 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,1,0,0,0,0|3,0,0]=4 6660 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,1,0,0,0,0|2,0,0]=3 6661 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,1,0,0,0,0|2,0,0]=3 6662 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,1,0,0,0,0|2,0,0]=3 6663 B10R0.74 C=CCCCCOC(C)CF 34a_100016041109_100011215482 [0,1,0,0,0,0|3,0,0]=4 6664 B10R0.74 C=CCCCCOC(C)CF 7a_100016041109_100011215482 [0,1,0,0,0,0|3,0,0]=4 6665 B10R0.74 C=CCCCCOC(C)CN 34a_100000210904_100011215482 [0,1,0,0,0,0|3,0,0]=4 6666 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,1,0,0,0,0|3,0,0]=4 6667 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,1,0,0,0,0|3,0,0]=4 6668 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,1,0,0,0,0|2,0,0]=3 6669 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,1,0,0,0,0|2,0,0]=3 6670 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,1,0,0,0,0|3,0,0]=4 6671 B10R0.74 C=CCCCCSC(C)OC 62a_100009879195_100011215482 [0,1,0,0,0,0|3,0,0]=4 6672 B10R0.74 C=CCCCCSC(C)OC 62a_100011215482_100009879195 [0,1,0,0,0,0|3,0,0]=4 6673 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,1,0,0,0,0|3,0,0]=4 6674 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,1,0,0,0,0|3,0,0]=4 6675 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,1,0,0,0,0|2,0,0]=3 6676 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,1,0,0,0,0|2,0,0]=3 6677 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,1,0,0,0,0|2,0,0]=3 6678 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,1,0,0,0,0|2,0,0]=3 6679 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,1,0,0,0,0|3,0,0]=4 6680 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|2,0,0]=3 6681 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|2,0,0]=3 6682 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|2,0,0]=3 6683 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,1,0,0,0,0|3,0,0]=4 6684 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,1,0,0,0,0|3,0,0]=4 6685 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,1,0,0,0,0|2,0,0]=3 6686 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,1,0,0,0,0|2,0,0]=3 6687 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,1,0,0,0,0|3,0,0]=4 6688 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,1,0,0,0,0|3,0,0]=4 6689 B10R0.74 C=CCCCNC[C@@H](C)OC 2230a_100020591295_100011713584 [0,1,0,0,0,0|3,0,0]=4 6690 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,1,0,0,0,0|3,0,0]=4 6691 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,1,0,0,0,0|3,0,0]=4 6692 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,1,0,0,0,0|3,0,0]=4 6693 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,1,0,0,0,0|3,0,0]=4 6694 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,1,0,0,0,0|3,0,0]=4 6695 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,1,0,0,0,0|3,0,0]=4 6696 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,1,0,0,0,0|2,0,1]=4 6697 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,1,0,0,0,0|2,0,1]=4 6698 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,1,0,0,0,0|2,0,0]=3 6699 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,1,0,0,0,0|2,0,0]=3 6700 B10R0.74 C=CCCCOCC(C)CN 34a_100000744482_100000757094 [0,1,0,0,0,0|3,0,0]=4 6701 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,1,0,0,0,0|3,0,0]=4 6702 B10R0.74 C=CCCCOCC(Cl)CCl 34a_100000033668_100000757094 [0,1,0,0,0,0|3,0,0]=4 6703 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|2,0,0]=3 6704 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|2,0,0]=3 6705 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,0,0,0,0|3,0,0]=4 6706 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,0,0,0,0|3,0,0]=4 6707 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,1,0,0,0,0|2,0,0]=3 6708 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,1,0,0,0,0|2,0,0]=3 6709 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,1,0,0,0,0|2,0,0]=3 6710 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,1,0,0,0,0|3,0,0]=4 6711 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,1,0,0,0,0|3,0,0]=4 6712 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,1,0,0,0,0|3,0,0]=4 6713 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,1,0,0,0,0|3,0,0]=4 6714 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,0,0,0,0|3,0,0]=4 6715 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,0,0,0,0|3,0,0]=4 6716 B10R0.74 C=CCCCOC[C@H](F)CN 34a_100015665980_100000757094 [0,1,0,0,0,0|3,0,0]=4 6717 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,1,0,0,0,0|2,0,1]=4 6718 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,1,0,0,0,0|2,0,1]=4 6719 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,1,0,0,0,0|2,0,0]=3 6720 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,1,0,0,0,0|2,0,0]=3 6721 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|2,0,0]=3 6722 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|2,0,0]=3 6723 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,1,0,0,0,0|3,0,0]=4 6724 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,1,0,0,0,0|3,0,0]=4 6725 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,1,0,0,0,0|2,0,0]=3 6726 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,1,0,0,0,0|2,0,0]=3 6727 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,1,0,0,0,0|3,0,0]=4 6728 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,1,0,0,0,0|3,0,0]=4 6729 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,1,0,0,0,0|3,0,0]=4 6730 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,1,0,0,0,0|3,0,0]=4 6731 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,1,0,0,0,0|3,0,0]=4 6732 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,1,0,0,0,0|3,0,0]=4 6733 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,1,0,0,0,0|2,0,0]=3 6734 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,1,0,0,0,0|3,0,0]=4 6735 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,1,0,0,0,0|3,0,0]=4 6736 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,1,0,0,0,0|2,0,0]=3 6737 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,1,0,0,0,0|3,0,0]=4 6738 B10R0.74 C=CCNCCCN(C)CC 2230a_100020586998_100015186262 [0,1,0,0,0,0|3,0,0]=4 6739 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,1,0,0,0,0|2,0,0]=3 6740 B10R0.74 C=CCOCCC[C@@H](C)CN 34a_100160569302_100015514636 [0,1,0,0,0,0|3,0,0]=4 6741 B10R0.74 C=CCOCCOC(C)CC 34a_100000037705_100011215416 [0,1,0,0,0,0|3,0,0]=4 6742 B10R0.74 C=CCOCCOC(C)CC 7a_100000037705_100000758301 [0,1,0,0,0,0|3,0,0]=4 6743 B10R0.74 C=CCSCCCN(C)CC 62a_100000210623_100015186262 [0,1,0,0,0,0|3,0,0]=4 6744 B10R0.74 C=COCCCNC(C)CC 2230a_100000210767_100000758301 [0,1,0,0,0,0|3,0,0]=4 6745 B10R0.74 C=COCCCNC(C)CC 34a_100000210767_100011215416 [0,1,0,0,0,0|3,0,0]=4 6746 B10R0.74 C=COCCNCC(C)CC 2230a_100020588543_100000039644 [0,1,0,0,0,0|3,0,0]=4 6747 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,1,0,0,0,0|3,0,0]=4 6748 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,1,0,0,0,0|3,0,0]=4 6749 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,1,0,0,0,0|3,0,0]=4 6750 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,1,0,0,0,0|3,0,0]=4 6751 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,1,0,0,0,0|3,0,0]=4 6752 B10R0.74 C=COCCSCC(C)CC 62a_100000039644_100000748023 [0,1,0,0,0,0|3,0,0]=4 6753 B10R0.74 C=COCCSCC(C)CC 62a_100000748023_100000039644 [0,1,0,0,0,0|3,0,0]=4 6754 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,1,0,0,0,0|3,0,0]=4 6755 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,1,0,0,0,0|3,0,0]=4 6756 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100000039644_100009816398 [0,1,0,0,0,0|3,0,0]=4 6757 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100009816398_100000039644 [0,1,0,0,0,0|3,0,0]=4 6758 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|2,0,0]=3 6759 B10R0.74 C=C[C@H](N)COCCCCF 34a_100016989147_100000729493 [0,1,0,0,0,0|3,0,0]=4 6760 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,1,0,0,0,0|3,0,0]=4 6761 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,1,0,0,0,0|3,0,0]=4 6762 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,1,0,0,0,0|3,0,0]=4 6763 B10R0.74 C=C[C@H](N)COCCSCC 34a_100016989147_100000757381 [0,1,0,0,0,0|3,0,0]=4 6764 B10R0.74 CC(C#N)NCCCCC=O 2230a_100000737613_100000139335 [0,1,0,0,0,0|2,0,1]=4 6765 B10R0.74 CC(C#N)SCCCCC=O 62a_100000139335_100000703298 [0,1,0,0,0,0|2,0,1]=4 6766 B10R0.74 CC(C#N)SCCCCC=O 62a_100000703298_100000139335 [0,1,0,0,0,0|2,0,1]=4 6767 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [0,1,0,0,0,0|2,0,0]=3 6768 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,1,0,0,0,0|2,0,0]=3 6769 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,1,0,0,0,0|2,0,1]=4 6770 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,1,0,0,0,0|2,0,1]=4 6771 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,1,0,0,0,0|2,0,1]=4 6772 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|1,0,2]=4 6773 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,2]=4 6774 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|0,0,3]=4 6775 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|0,0,3]=4 6776 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|2,0,1]=4 6777 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,1,0,0,0,0|1,0,1]=3 6778 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,1,0,0,0,0|1,0,1]=3 6779 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,1,0,0,0,0|2,0,1]=4 6780 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,1,0,0,0,0|2,0,1]=4 6781 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,1,0,0,0,0|2,0,1]=4 6782 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,1,0,0,0,0|2,0,1]=4 6783 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|2,0,0]=3 6784 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|2,0,0]=3 6785 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,1,0,0,0,0|2,0,1]=4 6786 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,1,0,0,0,0|1,0,0]=2 6787 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|2,0,1]=4 6788 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|1,0,2]=4 6789 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,1,0,0,0,0|2,0,1]=4 6790 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|2,0,1]=4 6791 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|1,0,2]=4 6792 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,1,0,0,0,0|3,0,0]=4 6793 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,1,0,0,0,0|3,0,0]=4 6794 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,1,0,0,0,0|2,0,1]=4 6795 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|2,0,1]=4 6796 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|1,0,2]=4 6797 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,1,0,0,0,0|3,0,0]=4 6798 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,1,0,0,0,0|3,0,0]=4 6799 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,1,0,0,0,0|2,0,1]=4 6800 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,1,0,0,0,0|1,0,0]=2 6801 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,1,0,0,0,0|2,0,1]=4 6802 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|1,0,2]=4 6803 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|1,0,2]=4 6804 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|1,0,2]=4 6805 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|1,0,2]=4 6806 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,0,0,0,0|3,0,0]=4 6807 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,0,0,0,0|3,0,0]=4 6808 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,0,0,0,0|3,0,0]=4 6809 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,1,0,0,0,0|3,0,0]=4 6810 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,1,0,0,0,0|3,0,0]=4 6811 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,1,0,0,0,0|2,0,1]=4 6812 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,1,0,0,0,0|2,0,1]=4 6813 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,1,0,0,0,0|2,0,1]=4 6814 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,1,0,0,0,0|2,0,1]=4 6815 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,1,0,0,0,0|2,0,1]=4 6816 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,1,0,0,0,0|2,0,1]=4 6817 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,1,0,0,0,0|2,0,1]=4 6818 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,1,0,0,0,0|3,0,0]=4 6819 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,1,0,0,0,0|3,0,0]=4 6820 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 6821 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 6822 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,1,0,0,0,0|2,0,1]=4 6823 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,1,0,0,0,0|2,0,1]=4 6824 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,1,0,0,0,0|1,0,0]=2 6825 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,1,0,0,0,0|1,0,0]=2 6826 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,1,0,0,0,0|2,0,1]=4 6827 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,1,0,0,0,0|2,0,1]=4 6828 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|1,0,2]=4 6829 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|1,0,2]=4 6830 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,1,0,0,0,0|3,0,0]=4 6831 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,1,0,0,0,0|3,0,0]=4 6832 B10R0.74 CCC(C)NCCCCC#N 2230a_100000209981_100000211819 [0,1,0,0,0,0|2,0,1]=4 6833 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,1,0,0,0,0|1,0,0]=2 6834 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|2,0,1]=4 6835 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|1,0,2]=4 6836 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|1,0,2]=4 6837 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|1,0,2]=4 6838 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,1,0,0,0,0|3,0,0]=4 6839 B10R0.74 CCC(C)OCCCCC#N 7a_100000210228_100000211819 [0,1,0,0,0,0|2,0,1]=4 6840 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,1,0,0,0,0|1,0,0]=2 6841 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|2,0,1]=4 6842 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|2,0,1]=4 6843 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|2,0,1]=4 6844 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|2,0,1]=4 6845 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|2,0,1]=4 6846 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|2,0,1]=4 6847 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|2,0,1]=4 6848 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|2,0,1]=4 6849 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|1,0,2]=4 6850 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,1,0,0,0,0|3,0,0]=4 6851 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,1,0,0,0,0|3,0,0]=4 6852 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,1,0,0,0,0|3,0,0]=4 6853 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,1,0,0,0,0|3,0,0]=4 6854 B10R0.74 CCC(C)SCCCCC#N 62a_100000758301_100000211819 [0,1,0,0,0,0|2,0,1]=4 6855 B10R0.74 CCC(C)SCCCCC#N 62a_100011219923_100000758301 [0,1,0,0,0,0|2,0,1]=4 6856 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,1,0,0,0,0|1,0,0]=2 6857 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,1,0,0,0,0|1,0,0]=2 6858 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|2,0,1]=4 6859 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|2,0,1]=4 6860 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|1,0,2]=4 6861 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|1,0,2]=4 6862 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,1,0,0,0,0|3,0,0]=4 6863 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,1,0,0,0,0|3,0,0]=4 6864 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,1,0,0,0,0|2,0,1]=4 6865 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|1,0,0]=2 6866 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,0,0,0,0|2,0,1]=4 6867 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 6868 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|1,0,2]=4 6869 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 6870 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,0,0,0,0|3,0,0]=4 6871 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,0,0,0,0|3,0,0]=4 6872 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,0,0,0,0|3,0,0]=4 6873 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,1,0,0,0,0|2,0,1]=4 6874 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,1,0,0,0,0|2,0,1]=4 6875 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,1,0,0,0,0|2,0,1]=4 6876 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,1,0,0,0,0|2,0,1]=4 6877 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,1,0,0,0,0|2,0,1]=4 6878 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,1,0,0,0,0|2,0,1]=4 6879 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,1]=4 6880 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,1,0,0,0,0|3,0,0]=4 6881 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,0,0,0,0|3,0,0]=4 6882 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,1,0,0,0,0|3,0,0]=4 6883 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,1,0,0,0,0|3,0,0]=4 6884 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,1,0,0,0,0|2,0,1]=4 6885 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,1,0,0,0,0|2,0,1]=4 6886 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|1,0,0]=2 6887 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|1,0,0]=2 6888 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,1,0,0,0,0|2,0,1]=4 6889 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,1,0,0,0,0|2,0,1]=4 6890 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|1,0,2]=4 6891 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|1,0,2]=4 6892 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,0,0,0,0|3,0,0]=4 6893 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,0,0,0,0|3,0,0]=4 6894 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,2]=4 6895 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,2]=4 6896 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,2]=4 6897 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,3]=4 6898 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|2,0,1]=4 6899 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6900 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6901 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6902 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|2,0,0]=3 6903 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|2,0,0]=3 6904 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|2,0,0]=3 6905 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|2,0,0]=3 6906 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|2,0,0]=3 6907 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|2,0,0]=3 6908 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|2,0,0]=3 6909 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|2,0,0]=3 6910 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|2,0,0]=3 6911 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|2,0,0]=3 6912 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|2,0,0]=3 6913 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|2,0,0]=3 6914 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|2,0,0]=3 6915 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|2,0,1]=4 6916 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|2,0,1]=4 6917 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|2,0,1]=4 6918 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|2,0,1]=4 6919 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|2,0,1]=4 6920 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|2,0,1]=4 6921 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|2,0,1]=4 6922 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|2,0,1]=4 6923 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|2,0,1]=4 6924 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,1,0,0,0,0|2,0,1]=4 6925 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,1,0,0,0,0|2,0,1]=4 6926 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,1]=4 6927 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,1]=4 6928 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|1,0,2]=4 6929 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|1,0,2]=4 6930 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,1,0,0,0,0|2,0,1]=4 6931 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,1,0,0,0,0|2,0,1]=4 6932 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,1]=4 6933 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,1]=4 6934 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,1]=4 6935 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|2,0,1]=4 6936 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|2,0,1]=4 6937 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,1]=4 6938 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|1,0,2]=4 6939 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|1,0,2]=4 6940 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,1,0,0,0,0|2,0,1]=4 6941 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,1,0,0,0,0|2,0,1]=4 6942 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,1]=4 6943 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,1]=4 6944 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|1,0,2]=4 6945 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|3,0,0]=4 6946 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|3,0,0]=4 6947 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,1,0,0,0,0|2,0,1]=4 6948 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,1,0,0,0,0|2,0,1]=4 6949 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|1,0,2]=4 6950 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|1,0,2]=4 6951 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|2,0,1]=4 6952 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|2,0,1]=4 6953 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|2,0,1]=4 6954 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,2]=4 6955 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|2,0,1]=4 6956 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|2,0,1]=4 6957 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,2]=4 6958 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|2,0,1]=4 6959 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|1,0,2]=4 6960 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|3,0,0]=4 6961 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|1,0,2]=4 6962 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|2,0,1]=4 6963 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,2]=4 6964 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,2]=4 6965 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|2,0,1]=4 6966 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|2,0,1]=4 6967 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,1]=4 6968 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|3,0,0]=4 6969 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|2,0,1]=4 6970 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|2,0,1]=4 6971 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|2,0,1]=4 6972 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 6973 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 6974 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|2,0,1]=4 6975 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|2,0,1]=4 6976 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|2,0,1]=4 6977 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,2]=4 6978 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,2]=4 6979 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|2,0,1]=4 6980 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|2,0,1]=4 6981 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 6982 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 6983 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,1]=4 6984 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|2,0,1]=4 6985 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|2,0,1]=4 6986 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|2,0,1]=4 6987 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|2,0,1]=4 6988 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,2]=4 6989 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,2]=4 6990 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|2,0,1]=4 6991 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|2,0,1]=4 6992 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,0,2]=4 6993 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,0,2]=4 6994 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|2,0,1]=4 6995 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|2,0,1]=4 6996 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,2]=4 6997 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,2]=4 6998 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|2,0,1]=4 6999 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|1,0,2]=4 7000 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,2]=4 7001 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|2,0,1]=4 7002 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|3,0,0]=4 7003 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,1]=4 7004 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|2,0,1]=4 7005 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,1,0,0,0,0|2,0,1]=4 7006 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,1,0,0,0,0|2,0,1]=4 7007 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,1,0,0,0,0|1,0,0]=2 7008 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,1,0,0,0,0|1,0,0]=2 7009 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|2,0,1]=4 7010 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|2,0,1]=4 7011 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|1,0,2]=4 7012 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|1,0,2]=4 7013 B10R0.74 CCN(C)CCCSCC=O 62a_200015260668_100015186262 [0,1,0,0,0,0|2,0,0]=3 7014 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|1,0,2]=4 7015 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|1,0,2]=4 7016 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,0,0,0,0|3,0,0]=4 7017 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,1,0,0,0,0|3,0,0]=4 7018 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,1,0,0,0,0|2,0,1]=4 7019 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,1,0,0,0,0|1,0,0]=2 7020 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,1,0,0,0,0|2,0,1]=4 7021 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,1,0,0,0,0|2,0,1]=4 7022 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,1,0,0,0,0|2,0,1]=4 7023 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,1,0,0,0,0|2,0,1]=4 7024 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,1,0,0,0,0|2,0,1]=4 7025 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,1,0,0,0,0|2,0,1]=4 7026 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,1,0,0,0,0|2,0,1]=4 7027 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,1,0,0,0,0|2,0,1]=4 7028 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|1,0,2]=4 7029 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,1,0,0,0,0|3,0,0]=4 7030 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,1,0,0,0,0|3,0,0]=4 7031 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,1,0,0,0,0|3,0,0]=4 7032 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 7033 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 7034 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,1,0,0,0,0|2,0,1]=4 7035 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,1,0,0,0,0|2,0,1]=4 7036 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,1,0,0,0,0|1,0,0]=2 7037 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,1,0,0,0,0|1,0,0]=2 7038 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,1,0,0,0,0|2,0,1]=4 7039 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,1,0,0,0,0|2,0,1]=4 7040 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|1,0,2]=4 7041 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|1,0,2]=4 7042 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,1,0,0,0,0|3,0,0]=4 7043 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,1,0,0,0,0|3,0,0]=4 7044 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,1,0,0,0,0|2,0,1]=4 7045 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,1,0,0,0,0|2,0,1]=4 7046 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,1,0,0,0,0|2,0,1]=4 7047 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,1,0,0,0,0|2,0,1]=4 7048 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,1,0,0,0,0|2,0,1]=4 7049 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,1,0,0,0,0|2,0,1]=4 7050 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,1,0,0,0,0|2,0,1]=4 7051 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,1,0,0,0,0|2,0,1]=4 7052 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,1,0,0,0,0|2,0,1]=4 7053 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,1,0,0,0,0|2,0,1]=4 7054 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,1,0,0,0,0|2,0,1]=4 7055 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,1,0,0,0,0|2,0,0]=3 7056 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,1,0,0,0,0|2,0,0]=3 7057 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [0,1,0,0,0,0|2,0,0]=3 7058 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [0,1,0,0,0,0|2,0,0]=3 7059 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,1,0,0,0,0|2,0,0]=3 7060 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,1,0,0,0,0|2,0,0]=3 7061 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,1,0,0,0,0|2,0,0]=3 7062 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,1,0,0,0,0|2,0,0]=3 7063 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,1,0,0,0,0|2,0,0]=3 7064 B10R0.74 N#CC(F)SCCCCC=O 62a_100000139335_200000117898 [0,1,0,0,0,0|2,0,1]=4 7065 B10R0.74 N#CC(F)SCCCCC=O 62a_200000117898_100000139335 [0,1,0,0,0,0|2,0,1]=4 7066 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,1,0,0,0,0|2,0,0]=3 7067 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,1,0,0,0,0|2,0,0]=3 7068 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,1,0,0,0,0|2,0,0]=3 7069 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,1,0,0,0,0|2,0,0]=3 7070 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,1,0,0,0,0|2,0,0]=3 7071 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,1,0,0,0,0|2,0,0]=3 7072 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,1,0,0,0,0|2,0,0]=3 7073 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,1,0,0,0,0|1,0,2]=4 7074 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,1,0,0,0,0|1,0,2]=4 7075 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,1,0,0,0,0|1,0,2]=4 7076 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,1,0,0,0,0|1,0,2]=4 7077 B10R0.91 C#CCCCN(C)CCCC 2230a_100000207549_100000731252 [0,1,0,0,0,0|2,0,1]=4 7078 B10R0.91 C#CCCCN(C)CCCC 269982a_100000207549_100011215417 [0,1,0,0,0,0|2,0,1]=4 7079 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,1,0,0,0,0|2,0,1]=4 7080 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,1,0,0,0,0|2,0,1]=4 7081 B10R0.91 C#CCCNC(C)CCCC 2230a_100000126638_100000688953 [0,1,0,0,0,0|2,0,1]=4 7082 B10R0.91 C#CCCNC(C)CCCC 34a_100000755551_200011215066 [0,1,0,0,0,0|2,0,1]=4 7083 B10R0.91 C#CCCOC(C)CCCC 34a_100000687866_100000688953 [0,1,0,0,0,0|2,0,1]=4 7084 B10R0.91 C#CCCOC(C)CCCC 34a_100011215631_200011215066 [0,1,0,0,0,0|2,0,1]=4 7085 B10R0.91 C#CCCOC(C)CCCC 7a_100000687866_100000688953 [0,1,0,0,0,0|2,0,1]=4 7086 B10R0.91 C#CCCSC(C)CCCC 62a_100000688953_200011215066 [0,1,0,0,0,0|2,0,1]=4 7087 B10R0.91 C#CCCSC(C)CCCC 62a_200011215066_100000688953 [0,1,0,0,0,0|2,0,1]=4 7088 B10R0.91 C#CCNC(C)CCCCC 2230a_100000211957_100000038162 [0,1,0,0,0,0|2,0,1]=4 7089 B10R0.91 C#CCNC(C)CCCCC 34a_100000212058_200011218191 [0,1,0,0,0,0|2,0,1]=4 7090 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,1,0,0,0,0|2,0,1]=4 7091 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,1,0,0,0,0|2,0,1]=4 7092 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,1,0,0,0,0|2,0,1]=4 7093 B10R0.91 C#CCOCC(C)CCCC 34a_100011995851_100000184674 [0,1,0,0,0,0|2,0,1]=4 7094 B10R0.91 C#CCOCC(C)CCCC 7a_100011995851_100000038162 [0,1,0,0,0,0|2,0,1]=4 7095 B10R0.91 C#CCOC[C@@H](N)CCCC 34a_100011934283_100000184674 [0,1,0,0,0,0|2,0,1]=4 7096 B10R0.91 C#CCSC(C)CCCCC 62a_100000038162_200011218191 [0,1,0,0,0,0|2,0,1]=4 7097 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,1,0,0,0,0|1,0,2]=4 7098 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,1,0,0,0,0|2,0,1]=4 7099 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,1,0,0,0,0|2,0,1]=4 7100 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,1,0,0,0,0|2,0,1]=4 7101 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,1,0,0,0,0|2,0,1]=4 7102 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [0,1,0,0,0,0|2,0,1]=4 7103 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [0,1,0,0,0,0|2,0,1]=4 7104 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,0,0,0,0|1,0,1]=3 7105 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,0,0,0,0|1,0,1]=3 7106 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,1,0,0,0,0|2,0,1]=4 7107 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,1,0,0,0,0|2,0,1]=4 7108 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,1,0,0,0,0|2,0,1]=4 7109 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,1,0,0,0,0|2,0,1]=4 7110 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,1,0,0,0,0|2,0,1]=4 7111 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,1,0,0,0,0|2,0,1]=4 7112 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,1,0,0,0,0|2,0,1]=4 7113 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,1,0,0,0,0|2,0,1]=4 7114 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,1,0,0,0,0|2,0,1]=4 7115 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,1,0,0,0,0|2,0,1]=4 7116 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,1,0,0,0,0|2,0,1]=4 7117 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,1,0,0,0,0|2,0,1]=4 7118 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 7119 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 7120 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 7121 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 7122 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,1,0,0,0,0|2,0,0]=3 7123 B10R0.91 C=CCCC(C)NCCCF 270004a_100015189416_100000762624 [0,1,0,0,0,0|3,0,0]=4 7124 B10R0.91 C=CCCC(C)NCCCO 270004a_100000182051_100000762624 [0,1,0,0,0,0|3,0,0]=4 7125 B10R0.91 C=CCCC(C)NCCOC 270004a_100000209980_100000762624 [0,1,0,0,0,0|3,0,0]=4 7126 B10R0.91 C=CCCC(C)NCCSC 270004a_100020590264_100000762624 [0,1,0,0,0,0|3,0,0]=4 7127 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,1,0,0,0,0|2,0,0]=3 7128 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,1,0,0,0,0|2,0,0]=3 7129 B10R0.91 C=CCCC(C)OCCCF 34a_100000765329_100011934791 [0,1,0,0,0,0|3,0,0]=4 7130 B10R0.91 C=CCCC(C)OCCCF 7a_100000765329_100011934791 [0,1,0,0,0,0|3,0,0]=4 7131 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [0,1,0,0,0,0|3,0,0]=4 7132 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [0,1,0,0,0,0|3,0,0]=4 7133 B10R0.91 C=CCCC(C)OCCOC 34a_100000765329_100011201679 [0,1,0,0,0,0|3,0,0]=4 7134 B10R0.91 C=CCCC(C)OCCOC 7a_100000765329_100000233755 [0,1,0,0,0,0|3,0,0]=4 7135 B10R0.91 C=CCCC(C)OCCSC 34a_100000765329_100000212216 [0,1,0,0,0,0|3,0,0]=4 7136 B10R0.91 C=CCCC(C)OCCSC 7a_100000765329_100000212216 [0,1,0,0,0,0|3,0,0]=4 7137 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,1,0,0,0,0|1,0,1]=3 7138 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,1,0,0,0,0|1,0,1]=3 7139 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,1,0,0,0,0|2,0,1]=4 7140 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,1,0,0,0,0|2,0,1]=4 7141 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,1,0,0,0,0|2,0,1]=4 7142 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,1,0,0,0,0|2,0,1]=4 7143 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,1,0,0,0,0|2,0,1]=4 7144 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,1,0,0,0,0|2,0,1]=4 7145 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,1,0,0,0,0|2,0,1]=4 7146 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,1,0,0,0,0|2,0,1]=4 7147 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,1,0,0,0,0|2,0,1]=4 7148 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,1,0,0,0,0|2,0,1]=4 7149 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,1,0,0,0,0|2,0,1]=4 7150 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,1,0,0,0,0|2,0,1]=4 7151 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,1,0,0,0,0|2,0,0]=3 7152 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,1,0,0,0,0|2,0,0]=3 7153 B10R0.91 C=CCCCN(C)CCCO 2230a_100000213112_100011713584 [0,1,0,0,0,0|3,0,0]=4 7154 B10R0.91 C=CCCCN(C)CCCO 269982a_100000213112_100000757094 [0,1,0,0,0,0|3,0,0]=4 7155 B10R0.91 C=CCCCN(C)CCOC 2230a_100000743101_100011713584 [0,1,0,0,0,0|3,0,0]=4 7156 B10R0.91 C=CCCCN(C)CCOC 269982a_100000743101_100000757094 [0,1,0,0,0,0|3,0,0]=4 7157 B10R0.91 C=CCCCN(C)CCSC 2230a_100000686725_100011713584 [0,1,0,0,0,0|3,0,0]=4 7158 B10R0.91 C=CCCCN(C)CCSC 269982a_100000686725_100000757094 [0,1,0,0,0,0|3,0,0]=4 7159 B10R0.91 C=CCCN(C)CCCC=O 2230a_100020639649_200011292268 [0,1,0,0,0,0|1,0,2]=4 7160 B10R0.91 C=CCCN(C)CCCC=O 269982a_100020639649_200011292268 [0,1,0,0,0,0|1,0,2]=4 7161 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,1,0,0,0,0|2,0,0]=3 7162 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,1,0,0,0,0|2,0,0]=3 7163 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,1,0,0,0,0|2,0,0]=3 7164 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,1,0,0,0,0|2,0,0]=3 7165 B10R0.91 C=CCCN(C)CCCCF 2230a_100020639649_100000729493 [0,1,0,0,0,0|3,0,0]=4 7166 B10R0.91 C=CCCN(C)CCCCF 269982a_100020639649_100000729493 [0,1,0,0,0,0|3,0,0]=4 7167 B10R0.91 C=CCCN(C)CCCCO 2230a_100000717598_100000754431 [0,1,0,0,0,0|3,0,0]=4 7168 B10R0.91 C=CCCN(C)CCCCO 2230a_100020639649_100000210776 [0,1,0,0,0,0|3,0,0]=4 7169 B10R0.91 C=CCCN(C)CCCCO 269982a_100000717598_100000754431 [0,1,0,0,0,0|3,0,0]=4 7170 B10R0.91 C=CCCN(C)CCCCO 269982a_100020639649_100000210776 [0,1,0,0,0,0|3,0,0]=4 7171 B10R0.91 C=CCCN(C)CCCOC 2230a_100000224831_100000754431 [0,1,0,0,0,0|3,0,0]=4 7172 B10R0.91 C=CCCN(C)CCCOC 2230a_100020639649_100000740836 [0,1,0,0,0,0|3,0,0]=4 7173 B10R0.91 C=CCCN(C)CCCOC 269982a_100000224831_100000754431 [0,1,0,0,0,0|3,0,0]=4 7174 B10R0.91 C=CCCN(C)CCCOC 269982a_100020639649_100000740836 [0,1,0,0,0,0|3,0,0]=4 7175 B10R0.91 C=CCCN(C)CCOCC 2230a_100020639649_100011215890 [0,1,0,0,0,0|3,0,0]=4 7176 B10R0.91 C=CCCN(C)CCOCC 269982a_100020639649_100011215890 [0,1,0,0,0,0|3,0,0]=4 7177 B10R0.91 C=CCCN(C)CCSCC 2230a_100020639649_100000757381 [0,1,0,0,0,0|3,0,0]=4 7178 B10R0.91 C=CCCN(C)CCSCC 269982a_100020639649_100000757381 [0,1,0,0,0,0|3,0,0]=4 7179 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,1,0,0,0,0|2,0,1]=4 7180 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,1,0,0,0,0|2,0,1]=4 7181 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,1,0,0,0,0|2,0,1]=4 7182 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,1,0,0,0,0|2,0,1]=4 7183 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,1,0,0,0,0|2,0,0]=3 7184 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,1,0,0,0,0|2,0,0]=3 7185 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,1,0,0,0,0|2,0,0]=3 7186 B10R0.91 C=CCCNC(C)CCOC 270004a_100015191253_100000742357 [0,1,0,0,0,0|3,0,0]=4 7187 B10R0.91 C=CCCNC(C)CCSC 270004a_100015191253_100011217047 [0,1,0,0,0,0|3,0,0]=4 7188 B10R0.91 C=CCCNC(C)CSCC 270004a_100015191253_200011216171 [0,1,0,0,0,0|3,0,0]=4 7189 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,1,0,0,0,0|2,0,0]=3 7190 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,1,0,0,0,0|2,0,0]=3 7191 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,1,0,0,0,0|2,0,0]=3 7192 B10R0.91 C=CCCOC(C)CCCCl 34a_200000718107_100000754431 [0,1,0,0,0,0|3,0,0]=4 7193 B10R0.91 C=CCCOC(C)CCCCl 7a_200000718107_100000754431 [0,1,0,0,0,0|3,0,0]=4 7194 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [0,1,0,0,0,0|3,0,0]=4 7195 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [0,1,0,0,0,0|3,0,0]=4 7196 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,1,0,0,0,0|2,0,0]=3 7197 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,1,0,0,0,0|2,0,0]=3 7198 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,1,0,0,0,0|2,0,1]=4 7199 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,1,0,0,0,0|2,0,1]=4 7200 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,1,0,0,0,0|2,0,1]=4 7201 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,1,0,0,0,0|2,0,0]=3 7202 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,1,0,0,0,0|2,0,0]=3 7203 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,1,0,0,0,0|2,0,0]=3 7204 B10R0.91 C=CCNC(C)CCCSC 270004a_100020586998_100011399439 [0,1,0,0,0,0|3,0,0]=4 7205 B10R0.91 C=CCNC(C)CCOCC 270004a_100020586998_200011216536 [0,1,0,0,0,0|3,0,0]=4 7206 B10R0.91 C=CCNC(C)CSCCC 270004a_100020586998_100011343953 [0,1,0,0,0,0|3,0,0]=4 7207 B10R0.91 C=CCNCC(C)OCCC 2230a_100015185124_100000210623 [0,1,0,0,0,0|3,0,0]=4 7208 B10R0.91 C=CCNCC(C)OCCC 34a_100015185124_100015514636 [0,1,0,0,0,0|3,0,0]=4 7209 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [0,1,0,0,0,0|3,0,0]=4 7210 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [0,1,0,0,0,0|3,0,0]=4 7211 B10R0.91 C=CCNC[C@H](C)CCCO 2230a_100160569302_100000210623 [0,1,0,0,0,0|3,0,0]=4 7212 B10R0.91 C=CCNC[C@H](C)CCCO 34a_100160569302_100015514636 [0,1,0,0,0,0|3,0,0]=4 7213 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,1,0,0,0,0|2,0,0]=3 7214 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,1,0,0,0,0|2,0,0]=3 7215 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,1,0,0,0,0|2,0,0]=3 7216 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [0,1,0,0,0,0|3,0,0]=4 7217 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [0,1,0,0,0,0|3,0,0]=4 7218 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,1,0,0,0,0|2,0,0]=3 7219 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,1,0,0,0,0|2,0,0]=3 7220 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,1,0,0,0,0|2,0,0]=3 7221 B10R0.91 C=CCOC[C@@H](N)CCSC 34a_100011827619_100015514636 [0,1,0,0,0,0|3,0,0]=4 7222 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,1,0,0,0,0|2,0,0]=3 7223 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,1,0,0,0,0|2,0,0]=3 7224 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,1,0,0,0,0|2,0,1]=4 7225 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,1,0,0,0,0|2,0,1]=4 7226 B10R0.91 C=COCCN(C)CCCC 2230a_100000207549_100000039644 [0,1,0,0,0,0|3,0,0]=4 7227 B10R0.91 C=COCCN(C)CCCC 269982a_100000207549_100000039644 [0,1,0,0,0,0|3,0,0]=4 7228 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,1,0,0,0,0|1,0,2]=4 7229 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,1,0,0,0,0|1,0,2]=4 7230 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,1,0,0,0,0|2,0,1]=4 7231 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [0,1,0,0,0,0|2,0,1]=4 7232 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,1,0,0,0,0|2,0,1]=4 7233 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,1,0,0,0,0|2,0,1]=4 7234 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [0,1,0,0,0,0|2,0,1]=4 7235 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [0,1,0,0,0,0|2,0,1]=4 7236 B10R0.91 CCC#CCC(C)OCC=O 34a_200000035118_200009817547 [0,1,0,0,0,0|1,0,2]=4 7237 B10R0.91 CCC#CCC(C)OCC=O 7a_200000035118_200015260668 [0,1,0,0,0,0|1,0,2]=4 7238 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,1,0,0,0,0|1,0,2]=4 7239 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,1,0,0,0,0|1,0,2]=4 7240 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,0,0,0,0|1,0,2]=4 7241 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|0,0,3]=4 7242 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|0,0,3]=4 7243 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,0,0,0,0|2,0,1]=4 7244 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,0,0,0,0|2,0,1]=4 7245 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,0,0,0,0|2,0,1]=4 7246 B10R0.91 CCCCC(C)COCC#N 7a_100011995851_100011215382 [0,1,0,0,0,0|2,0,1]=4 7247 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,1,0,0,0,0|1,0,0]=2 7248 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,1,0,0,0,0|1,0,0]=2 7249 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,1,0,0,0,0|2,0,1]=4 7250 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,1,0,0,0,0|2,0,1]=4 7251 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,1,0,0,0,0|2,0,1]=4 7252 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,1,0,0,0,0|2,0,1]=4 7253 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,1,0,0,0,0|1,0,2]=4 7254 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,1,0,0,0,0|1,0,2]=4 7255 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [0,1,0,0,0,0|3,0,0]=4 7256 B10R0.91 CCCCC(C)NCCC#N 2230a_100000126638_100011215226 [0,1,0,0,0,0|2,0,1]=4 7257 B10R0.91 CCCCC(C)NCCC#N 270004a_100000720768_100000210087 [0,1,0,0,0,0|2,0,1]=4 7258 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [0,1,0,0,0,0|2,0,1]=4 7259 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [0,1,0,0,0,0|2,0,1]=4 7260 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [0,1,0,0,0,0|2,0,1]=4 7261 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [0,1,0,0,0,0|2,0,1]=4 7262 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,1,0,0,0,0|1,0,2]=4 7263 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,1,0,0,0,0|1,0,2]=4 7264 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,1,0,0,0,0|3,0,0]=4 7265 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,1,0,0,0,0|3,0,0]=4 7266 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,1,0,0,0,0|3,0,0]=4 7267 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [0,1,0,0,0,0|3,0,0]=4 7268 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [0,1,0,0,0,0|3,0,0]=4 7269 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [0,1,0,0,0,0|3,0,0]=4 7270 B10R0.91 CCCCC(C)OCCC#N 7a_100000687866_100000184422 [0,1,0,0,0,0|2,0,1]=4 7271 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,1,0,0,0,0|2,0,1]=4 7272 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,1,0,0,0,0|2,0,1]=4 7273 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,1,0,0,0,0|2,0,1]=4 7274 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,1,0,0,0,0|2,0,1]=4 7275 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,1,0,0,0,0|2,0,1]=4 7276 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,1,0,0,0,0|2,0,1]=4 7277 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,1,0,0,0,0|1,0,2]=4 7278 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,1,0,0,0,0|1,0,2]=4 7279 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,1,0,0,0,0|3,0,0]=4 7280 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,1,0,0,0,0|3,0,0]=4 7281 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,1,0,0,0,0|3,0,0]=4 7282 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,1,0,0,0,0|3,0,0]=4 7283 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,1,0,0,0,0|3,0,0]=4 7284 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,1,0,0,0,0|3,0,0]=4 7285 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,1,0,0,0,0|3,0,0]=4 7286 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,1,0,0,0,0|3,0,0]=4 7287 B10R0.91 CCCCC(C)SCCC#N 62a_100011215226_200011215066 [0,1,0,0,0,0|2,0,1]=4 7288 B10R0.91 CCCCC(C)SCCC#N 62a_200011215066_100011215226 [0,1,0,0,0,0|2,0,1]=4 7289 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [0,1,0,0,0,0|2,0,1]=4 7290 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [0,1,0,0,0,0|2,0,1]=4 7291 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,1,0,0,0,0|1,0,2]=4 7292 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,1,0,0,0,0|1,0,2]=4 7293 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,1,0,0,0,0|3,0,0]=4 7294 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,1,0,0,0,0|3,0,0]=4 7295 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [0,1,0,0,0,0|3,0,0]=4 7296 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [0,1,0,0,0,0|3,0,0]=4 7297 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,1,0,0,0,0|1,0,2]=4 7298 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,1,0,0,0,0|1,0,2]=4 7299 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,2]=4 7300 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,2]=4 7301 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|1,0,2]=4 7302 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|0,0,3]=4 7303 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|2,0,1]=4 7304 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|2,0,1]=4 7305 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|2,0,1]=4 7306 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|2,0,1]=4 7307 B10R0.91 CCCCCC(C)NCC#N 2230a_100000211957_100011215382 [0,1,0,0,0,0|2,0,1]=4 7308 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,1,0,0,0,0|1,0,0]=2 7309 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,1,0,0,0,0|2,0,1]=4 7310 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,1,0,0,0,0|2,0,1]=4 7311 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,1,0,0,0,0|2,0,1]=4 7312 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,1,0,0,0,0|2,0,1]=4 7313 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|1,0,2]=4 7314 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|1,0,2]=4 7315 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|1,0,2]=4 7316 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|1,0,2]=4 7317 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,1,0,0,0,0|3,0,0]=4 7318 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,1,0,0,0,0|3,0,0]=4 7319 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,1,0,0,0,0|2,0,1]=4 7320 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,1,0,0,0,0|1,0,0]=2 7321 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,1,0,0,0,0|1,0,0]=2 7322 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,1,0,0,0,0|2,0,1]=4 7323 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|2,0,1]=4 7324 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|2,0,1]=4 7325 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|2,0,1]=4 7326 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,1,0,0,0,0|2,0,1]=4 7327 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,1,0,0,0,0|2,0,1]=4 7328 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,1,0,0,0,0|2,0,1]=4 7329 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|1,0,2]=4 7330 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|1,0,2]=4 7331 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,1,0,0,0,0|3,0,0]=4 7332 B10R0.91 CCCCCC(C)SCC#N 62a_100011215382_200011218191 [0,1,0,0,0,0|2,0,1]=4 7333 B10R0.91 CCCCCC(C)SCC#N 62a_200011218191_100011215382 [0,1,0,0,0,0|2,0,1]=4 7334 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,1,0,0,0,0|1,0,0]=2 7335 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,1,0,0,0,0|1,0,0]=2 7336 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,1,0,0,0,0|2,0,1]=4 7337 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,1,0,0,0,0|2,0,1]=4 7338 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,1,0,0,0,0|2,0,1]=4 7339 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,1,0,0,0,0|2,0,1]=4 7340 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|1,0,2]=4 7341 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|1,0,2]=4 7342 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,1,0,0,0,0|3,0,0]=4 7343 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,1,0,0,0,0|3,0,0]=4 7344 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,1,0,0,0,0|3,0,0]=4 7345 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,1,0,0,0,0|3,0,0]=4 7346 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,1,0,0,0,0|2,0,1]=4 7347 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,1,0,0,0,0|2,0,1]=4 7348 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,1,0,0,0,0|2,0,1]=4 7349 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,1,0,0,0,0|2,0,1]=4 7350 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,1,0,0,0,0|2,0,1]=4 7351 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,1,0,0,0,0|2,0,1]=4 7352 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,1,0,0,0,0|2,0,1]=4 7353 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,1,0,0,0,0|2,0,1]=4 7354 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,1,0,0,0,0|2,0,1]=4 7355 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,1,0,0,0,0|2,0,1]=4 7356 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,1,0,0,0,0|1,0,2]=4 7357 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,1,0,0,0,0|1,0,2]=4 7358 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,1,0,0,0,0|1,0,2]=4 7359 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,1,0,0,0,0|1,0,2]=4 7360 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,1,0,0,0,0|3,0,0]=4 7361 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,1,0,0,0,0|3,0,0]=4 7362 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,1,0,0,0,0|3,0,0]=4 7363 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,1,0,0,0,0|3,0,0]=4 7364 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,1,0,0,0,0|3,0,0]=4 7365 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,1,0,0,0,0|3,0,0]=4 7366 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,1,0,0,0,0|3,0,0]=4 7367 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,1,0,0,0,0|3,0,0]=4 7368 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,1,0,0,0,0|2,0,1]=4 7369 B10R0.91 CCCCN(C)CCCC#N 2230a_100000207549_100000687738 [0,1,0,0,0,0|2,0,1]=4 7370 B10R0.91 CCCCN(C)CCCC#N 269982a_100000207549_100000687738 [0,1,0,0,0,0|2,0,1]=4 7371 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,0,0,0,0|1,0,0]=2 7372 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,0,0,0,0|1,0,0]=2 7373 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [0,1,0,0,0,0|2,0,1]=4 7374 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [0,1,0,0,0,0|2,0,1]=4 7375 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,1,0,0,0,0|1,0,2]=4 7376 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,1,0,0,0,0|1,0,2]=4 7377 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 7378 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,1,0,0,0,0|1,0,2]=4 7379 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,1,0,0,0,0|1,0,2]=4 7380 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 7381 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,1,0,0,0,0|3,0,0]=4 7382 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,1,0,0,0,0|3,0,0]=4 7383 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,1,0,0,0,0|3,0,0]=4 7384 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,1,0,0,0,0|3,0,0]=4 7385 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 7386 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 7387 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,1,0,0,0,0|2,0,1]=4 7388 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,1,0,0,0,0|2,0,1]=4 7389 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,1,0,0,0,0|2,0,1]=4 7390 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,1,0,0,0,0|2,0,1]=4 7391 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,1,0,0,0,0|3,0,0]=4 7392 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [0,1,0,0,0,0|3,0,0]=4 7393 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,1,0,0,0,0|2,0,1]=4 7394 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,1,0,0,0,0|2,0,1]=4 7395 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,1,0,0,0,0|2,0,1]=4 7396 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,1,0,0,0,0|2,0,1]=4 7397 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,1,0,0,0,0|2,0,1]=4 7398 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,1,0,0,0,0|2,0,1]=4 7399 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,1,0,0,0,0|2,0,1]=4 7400 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,1,0,0,0,0|2,0,1]=4 7401 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,1,0,0,0,0|1,0,0]=2 7402 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,1,0,0,0,0|2,0,1]=4 7403 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,1,0,0,0,0|2,0,1]=4 7404 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,1,0,0,0,0|1,0,2]=4 7405 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [0,1,0,0,0,0|3,0,0]=4 7406 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [0,1,0,0,0,0|2,0,1]=4 7407 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [0,1,0,0,0,0|2,0,1]=4 7408 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [0,1,0,0,0,0|2,0,1]=4 7409 B10R0.91 CCCNC(C)CCCC#N 270004a_100020643023_200000032708 [0,1,0,0,0,0|2,0,1]=4 7410 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,1,0,0,0,0|3,0,0]=4 7411 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,1,0,0,0,0|1,0,2]=4 7412 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,1,0,0,0,0|1,0,2]=4 7413 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,1,0,0,0,0|2,0,1]=4 7414 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,1,0,0,0,0|2,0,1]=4 7415 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,1,0,0,0,0|3,0,0]=4 7416 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,1,0,0,0,0|3,0,0]=4 7417 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,1,0,0,0,0|2,0,0]=3 7418 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,1,0,0,0,0|2,0,0]=3 7419 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,1,0,0,0,0|3,0,0]=4 7420 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,1,0,0,0,0|2,0,0]=3 7421 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,1,0,0,0,0|2,0,0]=3 7422 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,1,0,0,0,0|2,0,1]=4 7423 B10R0.91 CN(CCC#N)CCCC=O 2230a_100000184479_200011292268 [0,1,0,0,0,0|2,0,1]=4 7424 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,1,0,0,0,0|2,0,0]=3 7425 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,1,0,0,0,0|2,0,0]=3 7426 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,1,0,0,0,0|2,0,0]=3 7427 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,1,0,0,0,0|2,0,0]=3 7428 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [0,1,0,0,0,0|2,0,0]=3 7429 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [0,1,0,0,0,0|2,0,0]=3 7430 B10R0.91 COCO[C@H](C)COCC=O 34a_100016172286_200009817547 [0,1,0,0,0,0|3,0,0]=4 7431 B10R0.91 COCO[C@H](C)COCC=O 7a_100016172286_200015260668 [0,1,0,0,0,0|3,0,0]=4 7432 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [0,1,0,0,0,0|2,0,0]=3 7433 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [0,1,0,0,0,0|2,0,0]=3 7434 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [0,1,0,0,0,0|2,0,0]=3 7435 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,1,0,0,0,0|2,0,0]=3 7436 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,1,0,0,0,0|2,0,0]=3 7437 B10R1.4 C#CCN1CCCCC1C 2230a_100000211376_100000038162 [0,0,0,1,0,0|2,0,1]=4 7438 B10R1.4 C#CCN1CCCCC1C 34a_100000211376_100000184674 [0,0,0,1,0,0|2,0,1]=4 7439 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,0,0,1,0,0|2,0,0]=3 7440 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,0,0,1,0,0|2,0,0]=3 7441 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,0,0,1,0,0|2,0,0]=3 7442 B10R1.4 C=CCN1CCOC[C@@H]1C 2230a_100009815349_100000210623 [0,0,0,1,0,0|3,0,0]=4 7443 B10R1.4 C=CCN1CCOC[C@@H]1C 269982a_100009815349_100000210623 [0,0,0,1,0,0|3,0,0]=4 7444 B10R1.4 C=CCN1CCOC[C@@H]1C 34a_100009815349_100015514636 [0,0,0,1,0,0|3,0,0]=4 7445 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,0,0,1,0,0|2,0,1]=4 7446 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,0,0,1,0,0|2,0,1]=4 7447 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,0,0,1,0,0|2,0,1]=4 7448 B10R1.4 CC1CCCCN1CC#N 2230a_100000211376_100011215382 [0,0,0,1,0,0|2,0,1]=4 7449 B10R1.4 CC1CCCCN1CC#N 269982a_100000211376_100011214920 [0,0,0,1,0,0|2,0,1]=4 7450 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,0,0,1,0,0|1,0,0]=2 7451 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,0,0,1,0,0|1,0,0]=2 7452 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,0,0,1,0,0|1,0,0]=2 7453 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [0,0,0,1,0,0|2,0,1]=4 7454 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [0,0,0,1,0,0|2,0,1]=4 7455 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [0,0,0,1,0,0|2,0,1]=4 7456 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,0,0,1,0,0|1,0,2]=4 7457 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,0,0,1,0,0|1,0,2]=4 7458 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,0,0,1,0,0|1,0,2]=4 7459 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7460 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7461 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7462 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7463 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7464 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7465 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [0,0,0,1,0,0|3,0,0]=4 7466 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [0,0,0,1,0,0|3,0,0]=4 7467 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [0,0,0,1,0,0|3,0,0]=4 7468 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [0,0,0,1,0,0|3,0,0]=4 7469 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [0,0,0,1,0,0|3,0,0]=4 7470 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [0,0,0,1,0,0|3,0,0]=4 7471 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 7472 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 7473 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 7474 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,0,0,1,0,0|2,0,1]=4 7475 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,0,0,1,0,0|2,0,1]=4 7476 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,0,0,1,0,0|2,0,1]=4 7477 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,0,0,1,0,0|2,0,1]=4 7478 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,0,0,1,0,0|2,0,0]=3 7479 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,0,0,1,0,0|2,0,0]=3 7480 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,0,0,1,0,0|2,0,0]=3 7481 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,0,0,1,0,0|2,0,1]=4 7482 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,0,0,1,0,0|2,0,1]=4 7483 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|1,0,0]=2 7484 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|1,0,0]=2 7485 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,0,0,1,0,0|2,0,1]=4 7486 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,0,0,1,0,0|2,0,1]=4 7487 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,0,0,1,0,0|2,0,1]=4 7488 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,0,0,1,0,0|2,0,1]=4 7489 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,0,0,1,0,0|2,0,1]=4 7490 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|1,0,2]=4 7491 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,0,0,1,0,0|2,0,0]=3 7492 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,0,0,1,0,0|2,0,0]=3 7493 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,0,0,1,0,0|2,0,0]=3 7494 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,0,0,1,0,0|2,0,1]=4 7495 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,0,0,1,0,0|2,0,1]=4 7496 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,0,0,1,0,0|2,0,1]=4 7497 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|1,0,0]=2 7498 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|1,0,0]=2 7499 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,0,0,1,0,0|2,0,1]=4 7500 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,0,0,1,0,0|2,0,1]=4 7501 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|1,0,2]=4 7502 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|1,0,2]=4 7503 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,0,0,1,0,0|2,0,0]=3 7504 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,0,0,1,0,0|2,0,0]=3 7505 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,0,0,1,0,0|2,0,0]=3 7506 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,0,0,1,0,0|2,0,0]=3 7507 B10R1.4 CN1CCCCC1CC#N 2230a_100000133382_200000210301 [0,0,0,1,0,0|2,0,1]=4 7508 B10R1.4 CN1CCCCC1CC#N 34a_100000133382_200000210301 [0,0,0,1,0,0|2,0,1]=4 7509 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 7510 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 7511 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 7512 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [0,0,0,1,0,0|3,0,0]=4 7513 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [0,0,0,1,0,0|3,0,0]=4 7514 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [0,0,0,1,0,0|3,0,0]=4 7515 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [0,0,0,1,0,0|3,0,0]=4 7516 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|1,0,2]=4 7517 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [0,0,0,1,0,0|3,0,0]=4 7518 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [0,0,0,1,0,0|3,0,0]=4 7519 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [0,0,0,1,0,0|3,0,0]=4 7520 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|1,0,0]=2 7521 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|1,0,0]=2 7522 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7523 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7524 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [0,0,0,1,0,0|3,0,0]=4 7525 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7526 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [0,0,0,1,0,0|3,0,0]=4 7527 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7528 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7529 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7530 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,0,0,1,0,0|3,0,0]=4 7531 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,0,0,1,0,0|3,0,0]=4 7532 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [0,0,0,1,0,0|3,0,0]=4 7533 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [0,0,0,1,0,0|3,0,0]=4 7534 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7535 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7536 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7537 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,0,0,1,0,0|2,0,0]=3 7538 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,0,0,1,0,0|2,0,0]=3 7539 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,0,0,1,0,0|2,0,0]=3 7540 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,0,0,1,0,0|2,0,0]=3 7541 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,0,0,1,0,0|2,0,0]=3 7542 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,0,0,1,0,0|2,0,0]=3 7543 B10R1.4 O=C1CCOCC1SCF 62a_100012180262_100015361967 [0,0,0,1,0,0|3,0,0]=4 7544 B10R1.4 O=C1CCOCC1SCF 62a_100015361967_100012180262 [0,0,0,1,0,0|3,0,0]=4 7545 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,0,0,1,0,0|3,0,0]=4 7546 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,0,0,1,0,0|3,0,0]=4 7547 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,0,0,1,0,0|3,0,0]=4 7548 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,0,0,1,0,0|3,0,0]=4 7549 B10R1.4 [13CH3]N1CCCCC1CC#N 2230a_100000133382_200025704644 [0,0,0,1,0,0|2,0,1]=4 7550 B10R1.4 [13CH3]N1CCCCC1CC#N 34a_100000133382_200025704644 [0,0,0,1,0,0|2,0,1]=4 7551 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 7552 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 7553 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 7554 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|1,0,2]=4 7555 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|1,0,0]=2 7556 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|1,0,0]=2 7557 B10R1.5 C#CCN1CCCC1CC 2230a_100000754278_100000038162 [0,0,0,1,0,0|2,0,1]=4 7558 B10R1.5 C#CCN1CCCC1CC 34a_100000754278_100000184674 [0,0,0,1,0,0|2,0,1]=4 7559 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [0,0,0,1,0,0|2,0,0]=3 7560 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [0,0,0,1,0,0|2,0,0]=3 7561 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [0,0,0,1,0,0|2,0,0]=3 7562 B10R1.5 C=CCN1CCC[C@@H]1CO 2230a_100000745186_100000210623 [0,0,0,1,0,0|3,0,0]=4 7563 B10R1.5 C=CCN1CCC[C@@H]1CO 269982a_100000745186_100000210623 [0,0,0,1,0,0|3,0,0]=4 7564 B10R1.5 C=CCN1CCC[C@@H]1CO 34a_100000745186_100015514636 [0,0,0,1,0,0|3,0,0]=4 7565 B10R1.5 CCC1C=CCN1CC=O 2230a_100000730860_200015260668 [0,0,0,1,0,0|1,0,2]=4 7566 B10R1.5 CCC1C=CCN1CC=O 269982a_100000730860_200015260668 [0,0,0,1,0,0|1,0,2]=4 7567 B10R1.5 CCC1C=CCN1CC=O 34a_100000730860_200009817547 [0,0,0,1,0,0|1,0,2]=4 7568 B10R1.5 CCC1CCCN1CC#N 2230a_100000754278_100011215382 [0,0,0,1,0,0|2,0,1]=4 7569 B10R1.5 CCC1CCCN1CC#N 269982a_100000754278_100011214920 [0,0,0,1,0,0|2,0,1]=4 7570 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,0,0,1,0,0|1,0,0]=2 7571 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,0,0,1,0,0|1,0,0]=2 7572 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,0,0,1,0,0|1,0,0]=2 7573 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [0,0,0,1,0,0|2,0,1]=4 7574 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [0,0,0,1,0,0|2,0,1]=4 7575 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [0,0,0,1,0,0|2,0,1]=4 7576 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,0,0,1,0,0|1,0,2]=4 7577 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,0,0,1,0,0|1,0,2]=4 7578 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,0,0,1,0,0|1,0,2]=4 7579 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,0,0,1,0,0|3,0,0]=4 7580 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,0,0,1,0,0|3,0,0]=4 7581 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 7582 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 7583 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 7584 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,0,0,1,0,0|2,0,0]=3 7585 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,0,0,1,0,0|2,0,0]=3 7586 B10R1.5 CCCN1CCCC1C#N 2230a_100000701862_100000210303 [0,0,0,1,0,0|2,0,1]=4 7587 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 7588 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 7589 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 7590 B10R1.5 CCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210303 [0,0,0,1,0,0|2,0,1]=4 7591 B10R1.5 CCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210303 [0,0,0,1,0,0|2,0,1]=4 7592 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,0,0,1,0,0|1,0,2]=4 7593 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,0,0,1,0,0|1,0,2]=4 7594 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,0,0,1,0,0|1,0,2]=4 7595 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [0,0,0,1,0,0|3,0,0]=4 7596 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [0,0,0,1,0,0|3,0,0]=4 7597 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,0,0,1,0,0|3,0,0]=4 7598 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,0,0,1,0,0|3,0,0]=4 7599 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,0,0,1,0,0|3,0,0]=4 7600 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,0,0,1,0,0|3,0,0]=4 7601 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,0,0,1,0,0|3,0,0]=4 7602 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,0,0,1,0,0|3,0,0]=4 7603 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,0,0,1,0,0|3,0,0]=4 7604 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,0,0,1,0,0|2,0,1]=4 7605 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,0,0,1,0,0|2,0,1]=4 7606 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210202 [0,0,0,1,0,0|2,0,1]=4 7607 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210202 [0,0,0,1,0,0|2,0,1]=4 7608 B10R1.5 N#CC1CCCN1CC=O 2230a_100000701862_200015260668 [0,0,0,1,0,0|2,0,1]=4 7609 B10R1.5 N#C[C@H]1CCCN1CC=O 2230a_106645074975_200015260668 [0,0,0,1,0,0|2,0,1]=4 7610 B10R1.5 N#C[C@H]1CCCN1CC=O 269982a_106645074975_200015260668 [0,0,0,1,0,0|2,0,1]=4 7611 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [0,0,0,1,0,0|2,0,0]=3 7612 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [0,0,0,1,0,0|2,0,0]=3 7613 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [0,0,0,1,0,0|2,0,0]=3 7614 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,0,0,1,0,0|2,0,1]=4 7615 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [0,0,0,1,0,0|2,0,1]=4 7616 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [0,0,0,1,0,0|2,0,1]=4 7617 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [0,0,0,1,0,0|2,0,1]=4 7618 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,0,0,1,0,0|2,0,1]=4 7619 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,0,0,1,0,0|2,0,1]=4 7620 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,0,0,1,0,0|2,0,1]=4 7621 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [0,0,0,1,0,0|2,0,1]=4 7622 B10R1.17 C=CCCN1CCCOC1 2230a_100000131196_100000754431 [0,0,0,1,0,0|3,0,0]=4 7623 B10R1.17 C=CCCN1CCCOC1 269982a_100000131196_100000754431 [0,0,0,1,0,0|3,0,0]=4 7624 B10R1.17 C=CCCN1CCCOC1 34a_100000131196_100000754431 [0,0,0,1,0,0|3,0,0]=4 7625 B10R1.17 C=CCCN1CCOCC1 2230a_100015191051_100000754431 [0,0,0,1,0,0|3,0,0]=4 7626 B10R1.17 C=CCCN1CCOCC1 269982a_100015191051_100000754431 [0,0,0,1,0,0|3,0,0]=4 7627 B10R1.17 C=CCCN1CCOCC1 34a_100015191051_100000754431 [0,0,0,1,0,0|3,0,0]=4 7628 B10R1.17 C=CCCN1CCSCC1 2230a_100000737611_100000754431 [0,0,0,1,0,0|3,0,0]=4 7629 B10R1.17 C=CCCN1CCSCC1 269982a_100000737611_100000754431 [0,0,0,1,0,0|3,0,0]=4 7630 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,0,0,1,0,0|2,0,0]=3 7631 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,0,0,1,0,0|2,0,0]=3 7632 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,0,0,1,0,0|2,0,0]=3 7633 B10R1.17 C=CCNC1CCCOC1 2230a_100000719290_100000210623 [0,0,0,1,0,0|3,0,0]=4 7634 B10R1.17 C=CCNC1CCCOC1 270004a_100020586998_100000753404 [0,0,0,1,0,0|3,0,0]=4 7635 B10R1.17 C=CCNC1CCCOC1 34a_100000719290_100015514636 [0,0,0,1,0,0|3,0,0]=4 7636 B10R1.17 C=CCNC1CCCSC1 270004a_100020586998_100000057913 [0,0,0,1,0,0|3,0,0]=4 7637 B10R1.17 C=CCNC1CCNCC1 270004a_100020586998_100015192401 [0,0,0,1,0,0|3,0,0]=4 7638 B10R1.17 C=CCNC1CCOCC1 2230a_100000741149_100000210623 [0,0,0,1,0,0|3,0,0]=4 7639 B10R1.17 C=CCNC1CCOCC1 270004a_100020586998_100011217826 [0,0,0,1,0,0|3,0,0]=4 7640 B10R1.17 C=CCNC1CCOCC1 34a_100000741149_100015514636 [0,0,0,1,0,0|3,0,0]=4 7641 B10R1.17 C=CCNC1CCSCC1 2230a_100000748639_100000210623 [0,0,0,1,0,0|3,0,0]=4 7642 B10R1.17 C=CCNC1CCSCC1 270004a_100020586998_100000203788 [0,0,0,1,0,0|3,0,0]=4 7643 B10R1.17 C=CCNC1CCSCC1 34a_100000748639_100015514636 [0,0,0,1,0,0|3,0,0]=4 7644 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,0,0,1,0,0|2,0,0]=3 7645 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,0,0,1,0,0|2,0,0]=3 7646 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,0,0,1,0,0|2,0,0]=3 7647 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,0,0,1,0,0|3,0,0]=4 7648 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [0,0,0,1,0,0|3,0,0]=4 7649 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [0,0,0,1,0,0|3,0,0]=4 7650 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [0,0,0,1,0,0|3,0,0]=4 7651 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [0,0,0,1,0,0|3,0,0]=4 7652 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [0,0,0,1,0,0|3,0,0]=4 7653 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [0,0,0,1,0,0|3,0,0]=4 7654 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [0,0,0,1,0,0|3,0,0]=4 7655 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,0,0,1,0,0|2,0,0]=3 7656 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,0,0,1,0,0|2,0,0]=3 7657 B10R1.17 C=CCSC1CCCOC1 62a_100000210623_100000693364 [0,0,0,1,0,0|3,0,0]=4 7658 B10R1.17 C=CCSC1CCOCC1 62a_100000210623_100011324220 [0,0,0,1,0,0|3,0,0]=4 7659 B10R1.17 C=CCSC1CCSCC1 62a_100000210623_100000069128 [0,0,0,1,0,0|3,0,0]=4 7660 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [0,0,0,1,0,0|3,0,0]=4 7661 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,0,0,1,0,0|2,0,1]=4 7662 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,0,0,1,0,0|2,0,1]=4 7663 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,0,0,1,0,0|2,0,1]=4 7664 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [0,0,0,1,0,0|3,0,0]=4 7665 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [0,0,0,1,0,0|3,0,0]=4 7666 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [0,0,0,1,0,0|3,0,0]=4 7667 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,0,0,1,0,0|2,0,1]=4 7668 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,0,0,1,0,0|2,0,1]=4 7669 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,0,0,1,0,0|2,0,1]=4 7670 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 7671 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,0,0,1,0,0|3,0,0]=4 7672 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 7673 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [0,0,0,1,0,0|3,0,0]=4 7674 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,0,0,1,0,0|2,0,0]=3 7675 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,0,0,1,0,0|2,0,1]=4 7676 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,0,0,1,0,0|2,0,1]=4 7677 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,0,0,1,0,0|2,0,1]=4 7678 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,0,0,1,0,0|2,0,1]=4 7679 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,0,0,1,0,0|1,0,2]=4 7680 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,0,0,1,0,0|3,0,0]=4 7681 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,0,0,1,0,0|3,0,0]=4 7682 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,0,0,1,0,0|3,0,0]=4 7683 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,0,0,1,0,0|2,0,0]=3 7684 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,0,0,1,0,0|2,0,0]=3 7685 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,0,0,1,0,0|2,0,1]=4 7686 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,0,0,1,0,0|2,0,1]=4 7687 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,0,0,1,0,0|3,0,0]=4 7688 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,0,0,1,0,0|2,0,1]=4 7689 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,0,0,1,0,0|2,0,1]=4 7690 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,0,0,1,0,0|2,0,1]=4 7691 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,0,0,1,0,0|2,0,1]=4 7692 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,0,0,1,0,0|2,0,1]=4 7693 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,0,0,1,0,0|1,0,2]=4 7694 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,0,0,1,0,0|1,0,2]=4 7695 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,0,0,1,0,0|1,0,2]=4 7696 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,0,0,1,0,0|3,0,0]=4 7697 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,0,0,1,0,0|3,0,0]=4 7698 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,0,0,1,0,0|3,0,0]=4 7699 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,0,0,1,0,0|2,0,1]=4 7700 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,1,0,0|1,0,2]=4 7701 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,0,0,1,0,0|2,0,1]=4 7702 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,0,0,1,0,0|2,0,1]=4 7703 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,0,0,1,0,0|2,0,1]=4 7704 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,0,0,1,0,0|2,0,1]=4 7705 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,0,0,1,0,0|1,0,2]=4 7706 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,0,0,1,0,0|1,0,2]=4 7707 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,0,0,1,0,0|1,0,2]=4 7708 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,0,0,1,0,0|3,0,0]=4 7709 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,0,0,1,0,0|3,0,0]=4 7710 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,0,0,1,0,0|3,0,0]=4 7711 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,0,0,1,0,0|2,0,1]=4 7712 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,0,0,1,0,0|2,0,1]=4 7713 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,0,0,1,0,0|1,0,2]=4 7714 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,0,0,1,0,0|1,0,2]=4 7715 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [0,0,0,1,0,0|3,0,0]=4 7716 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [0,0,0,1,0,0|3,0,0]=4 7717 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,0,0,1,0,0|2,0,0]=3 7718 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,0,0,1,0,0|2,0,0]=3 7719 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,0,0,1,0,0|2,0,0]=3 7720 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,0,0,1,0,0|2,0,0]=3 7721 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,0,0,1,0,0|2,0,0]=3 7722 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,0,0,1,0,0|2,0,0]=3 7723 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,0,0,1,0,0|1,0,2]=4 7724 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,0,0,1,0,0|1,0,2]=4 7725 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,0,0,1,0,0|3,0,0]=4 7726 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,0,0,1,0,0|3,0,0]=4 7727 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,0,0,1,0,0|3,0,0]=4 7728 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,0,0,1,0,0|3,0,0]=4 7729 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,0,0,1,0,0|3,0,0]=4 7730 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [0,0,0,1,0,0|3,0,0]=4 7731 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [0,0,0,1,0,0|3,0,0]=4 7732 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [0,0,0,1,0,0|3,0,0]=4 7733 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,0,0,1,0,0|3,0,0]=4 7734 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,0,0,1,0,0|3,0,0]=4 7735 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,0,0,1,0,0|3,0,0]=4 7736 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,0,0,1,0,0|2,0,0]=3 7737 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,0,0,1,0,0|2,0,0]=3 7738 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,0,0,1,0,0|2,0,0]=3 7739 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [0,0,0,1,0,0|2,0,1]=4 7740 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [0,0,0,1,0,0|3,0,0]=4 7741 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,0,0,1,0,0|3,0,0]=4 7742 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,0,0,1,0,0|3,0,0]=4 7743 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,0,0,1,0,0|3,0,0]=4 7744 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,0,0,1,0,0|3,0,0]=4 7745 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,0,0,1,0,0|3,0,0]=4 7746 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,0,0,1,0,0|3,0,0]=4 7747 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,0,0,1,0,0|3,0,0]=4 7748 B10R1.17 COCSC1C=CCCC1 62a_100000751183_100000766300 [0,0,0,1,0,0|3,0,0]=4 7749 B10R1.17 COCSC1C=CCCC1 62a_100000766300_100000751183 [0,0,0,1,0,0|3,0,0]=4 7750 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,0,0,1,0,0|3,0,0]=4 7751 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,0,0,1,0,0|3,0,0]=4 7752 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,0,0,1,0,0|2,0,0]=3 7753 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,0,0,1,0,0|2,0,0]=3 7754 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,0,0,1,0,0|3,0,0]=4 7755 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,0,0,1,0,0|3,0,0]=4 7756 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [0,0,0,1,0,0|3,0,0]=4 7757 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [0,0,0,1,0,0|3,0,0]=4 7758 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,0,0,1,0,0|3,0,0]=4 7759 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,0,0,1,0,0|3,0,0]=4 7760 B10R1.17 CSCOC1C=CCCC1 34a_100011215024_100011218213 [0,0,0,1,0,0|3,0,0]=4 7761 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,0,0,1,0,0|3,0,0]=4 7762 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,0,0,1,0,0|3,0,0]=4 7763 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,0,0,1,0,0|3,0,0]=4 7764 B10R1.17 CSCSC1C=CCCC1 62a_100000751183_100011218213 [0,0,0,1,0,0|3,0,0]=4 7765 B10R1.17 CSCSC1C=CCCC1 62a_100011218213_100000751183 [0,0,0,1,0,0|3,0,0]=4 7766 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,0,0,1,0,0|3,0,0]=4 7767 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,0,0,1,0,0|3,0,0]=4 7768 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,0,0,1,0,0|2,0,1]=4 7769 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,0,0,1,0,0|2,0,1]=4 7770 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,0,0,1,0,0|2,0,1]=4 7771 B10R1.17 FCCOC1C=CCCC1 34a_100011215024_100011217306 [0,0,0,1,0,0|3,0,0]=4 7772 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,0,0,1,0,0|2,0,1]=4 7773 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,0,0,1,0,0|2,0,1]=4 7774 B10R1.17 FCCSC1C=CCCC1 62a_100000751183_100011217306 [0,0,0,1,0,0|3,0,0]=4 7775 B10R1.17 FCCSC1C=CCCC1 62a_100011217306_100000751183 [0,0,0,1,0,0|3,0,0]=4 7776 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,0,0,1,0,0|2,0,1]=4 7777 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,0,0,1,0,0|2,0,1]=4 7778 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,0,0,1,0,0|2,0,1]=4 7779 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,0,0,1,0,0|2,0,1]=4 7780 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,0,0,1,0,0|2,0,1]=4 7781 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,0,0,1,0,0|2,0,1]=4 7782 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,0,0,1,0,0|2,0,1]=4 7783 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [0,0,0,1,0,0|2,0,1]=4 7784 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,0,0,1,0,0|2,0,1]=4 7785 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [0,0,0,1,0,0|2,0,1]=4 7786 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [0,0,0,1,0,0|2,0,1]=4 7787 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,0,0,1,0,0|2,0,1]=4 7788 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,0,0,1,0,0|1,0,0]=2 7789 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,0,0,1,0,0|1,0,0]=2 7790 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,0,0,1,0,0|2,0,0]=3 7791 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,0,0,1,0,0|2,0,0]=3 7792 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,0,0,1,0,0|2,0,0]=3 7793 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,0,0,1,0,0|2,0,0]=3 7794 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,0,0,1,0,0|2,0,0]=3 7795 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,0,0,1,0,0|2,0,0]=3 7796 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [0,0,0,1,0,0|1,0,2]=4 7797 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,0,0,1,0,0|1,0,2]=4 7798 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,0,0,1,0,0|1,0,0]=2 7799 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,0,0,1,0,0|1,0,0]=2 7800 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,0,0,1,0,0|2,0,0]=3 7801 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,0,0,1,0,0|2,0,0]=3 7802 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,0,0,1,0,0|2,0,0]=3 7803 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,0,0,1,0,0|2,0,0]=3 7804 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,0,0,1,0,0|2,0,0]=3 7805 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,0,0,1,0,0|2,0,0]=3 7806 B10R1.17 O=CCSC1C=CCCC1 62a_100000751183_200015260668 [0,0,0,1,0,0|1,0,2]=4 7807 B10R1.17 O=CCSC1C=CCCC1 62a_200015260668_100000751183 [0,0,0,1,0,0|1,0,2]=4 7808 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,0,0,1,0,0|1,0,0]=2 7809 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,0,0,1,0,0|1,0,0]=2 7810 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,0,0,1,0,0|2,0,0]=3 7811 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,0,0,1,0,0|2,0,0]=3 7812 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,0,0,1,0,0|2,0,0]=3 7813 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [0,0,0,1,0,0|3,0,0]=4 7814 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,0,0,1,0,0|1,0,2]=4 7815 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,0,0,1,0,0|1,0,2]=4 7816 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,0,0,1,0,0|1,0,2]=4 7817 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,0,0,1,0,0|1,0,2]=4 7818 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,0,0,1,0,0|3,0,0]=4 7819 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,0,0,1,0,0|1,0,2]=4 7820 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,0,0,1,0,0|1,0,2]=4 7821 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [0,0,0,1,0,0|3,0,0]=4 7822 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [0,0,0,1,0,0|3,0,0]=4 7823 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,0,0,1,0,0|1,0,2]=4 7824 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,0,0,1,0,0|1,0,2]=4 7825 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,0,0,1,0,0|2,0,0]=3 7826 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,0,0,1,0,0|2,0,0]=3 7827 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,0,0,1,0,0|1,0,2]=4 7828 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,0,0,1,0,0|1,0,2]=4 7829 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,0,0,1,0,0|3,0,0]=4 7830 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,0,0,1,0,0|3,0,0]=4 7831 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,0,0,1,0,0|2,0,0]=3 7832 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,0,0,1,0,0|2,0,0]=3 7833 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [0,0,0,1,0,0|2,0,1]=4 7834 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [0,0,0,1,0,0|3,0,0]=4 7835 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,0,0,1,0,0|3,0,0]=4 7836 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,0,0,1,0,0|3,0,0]=4 7837 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,0,0,1,0,0|3,0,0]=4 7838 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,0,0,1,0,0|2,0,0]=3 7839 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,0,0,1,0,0|2,0,0]=3 7840 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,0,0,1,0,0|3,0,0]=4 7841 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,0,0,1,0,0|3,0,0]=4 7842 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [0,0,0,1,0,0|3,0,0]=4 7843 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [0,0,0,1,0,0|3,0,0]=4 7844 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,0,0,1,0,0|3,0,0]=4 7845 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,0,0,1,0,0|3,0,0]=4 7846 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|1,0,0]=2 7847 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,0,0,1,0,0|2,0,0]=3 7848 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,0,0,1,0,0|2,0,0]=3 7849 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,0,0,1,0,0|2,0,0]=3 7850 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,0,0,1,0,0|2,0,0]=3 7851 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|1,0,0]=2 7852 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|1,0,0]=2 7853 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,0,0,1,0,0|2,0,0]=3 7854 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,0,0,1,0,0|2,0,0]=3 7855 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,0,0,1,0,0|2,0,0]=3 7856 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,0,0,1,0,0|2,0,0]=3 7857 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|1,0,0]=2 7858 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|1,0,0]=2 7859 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,0,0,1,0,0|2,0,0]=3 7860 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,0,0,1,0,0|2,0,0]=3 7861 B10R1.20 C#CC1CCCCN1CC 2230a_200020621307_100000210202 [0,0,0,1,0,0|2,0,1]=4 7862 B10R1.20 C#CC1CCCCN1CC 269982a_200020621307_100000204670 [0,0,0,1,0,0|2,0,1]=4 7863 B10R1.20 C#CC1CCCCN1CC 34a_200020621307_100000210202 [0,0,0,1,0,0|2,0,1]=4 7864 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [0,0,0,1,0,0|2,0,0]=3 7865 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [0,0,0,1,0,0|2,0,0]=3 7866 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,0,0,1,0,0|2,0,0]=3 7867 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,0,0,1,0,0|2,0,0]=3 7868 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,0,0,1,0,0|2,0,0]=3 7869 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,0,0,1,0,0|2,0,0]=3 7870 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,0,0,1,0,0|2,0,1]=4 7871 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,0,0,1,0,0|2,0,1]=4 7872 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,0,0,1,0,0|2,0,1]=4 7873 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [0,0,0,1,0,0|2,0,1]=4 7874 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [0,0,0,1,0,0|2,0,1]=4 7875 B10R1.20 CCN1CCCCC1C#N 34a_100016989756_100000210202 [0,0,0,1,0,0|2,0,1]=4 7876 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,0,0,1,0,0|1,0,2]=4 7877 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,0,0,1,0,0|1,0,2]=4 7878 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,0,0,1,0,0|1,0,2]=4 7879 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,0,0,1,0,0|1,0,2]=4 7880 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [0,0,0,1,0,0|3,0,0]=4 7881 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [0,0,0,1,0,0|3,0,0]=4 7882 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [0,0,0,1,0,0|3,0,0]=4 7883 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [0,0,0,1,0,0|3,0,0]=4 7884 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [0,0,0,1,0,0|2,0,1]=4 7885 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [0,0,0,1,0,0|3,0,0]=4 7886 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,0,0,1,0,0|3,0,0]=4 7887 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,0,0,1,0,0|3,0,0]=4 7888 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,0,0,1,0,0|3,0,0]=4 7889 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,0,0,1,0,0|3,0,0]=4 7890 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [0,0,0,1,0,0|2,0,1]=4 7891 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,0,0,1,0,0|2,0,1]=4 7892 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,0,0,1,0,0|2,0,1]=4 7893 B10R1.21 C#CCCCN1CCCC1 2230a_100000188435_100000731252 [0,0,0,1,0,0|2,0,1]=4 7894 B10R1.21 C#CCCCN1CCCC1 269982a_100000188435_100011215417 [0,0,0,1,0,0|2,0,1]=4 7895 B10R1.21 C#CCCNC1CCCC1 2230a_100000211070_100000688953 [0,0,0,1,0,0|2,0,1]=4 7896 B10R1.21 C#CCCNC1CCCC1 34a_100000211070_100000688953 [0,0,0,1,0,0|2,0,1]=4 7897 B10R1.21 C#CCCNC1CCCC1 34a_100000755551_100000179811 [0,0,0,1,0,0|2,0,1]=4 7898 B10R1.21 C#CCCOC1CCCC1 34a_100000210269_100000688953 [0,0,0,1,0,0|2,0,1]=4 7899 B10R1.21 C#CCCOC1CCCC1 34a_100011215631_100000179811 [0,0,0,1,0,0|2,0,1]=4 7900 B10R1.21 C#CCCOC1CCCC1 7a_100000210269_100000688953 [0,0,0,1,0,0|2,0,1]=4 7901 B10R1.21 C#CCCSC1CCCC1 62a_100000688953_100000179811 [0,0,0,1,0,0|2,0,1]=4 7902 B10R1.21 C#CCCSC1CCCC1 62a_100011217020_100000688953 [0,0,0,1,0,0|2,0,1]=4 7903 B10R1.21 C#CCNCC1CCCC1 2230a_100000737975_100000038162 [0,0,0,1,0,0|2,0,1]=4 7904 B10R1.21 C#CCNCC1CCCC1 34a_100000212058_100000740388 [0,0,0,1,0,0|2,0,1]=4 7905 B10R1.21 C#CCNCC1CCCC1 34a_100000737975_100000184674 [0,0,0,1,0,0|2,0,1]=4 7906 B10R1.21 C#CCOCC1CCCC1 34a_100000210247_100000740388 [0,0,0,1,0,0|2,0,1]=4 7907 B10R1.21 C#CCOCC1CCCC1 34a_100000742336_100000184674 [0,0,0,1,0,0|2,0,1]=4 7908 B10R1.21 C#CCOCC1CCCC1 7a_100000742336_100000038162 [0,0,0,1,0,0|2,0,1]=4 7909 B10R1.21 C#CCSCC1CCCC1 62a_100000038162_100000740388 [0,0,0,1,0,0|2,0,1]=4 7910 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [0,0,0,1,0,0|2,0,1]=4 7911 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [0,0,0,1,0,0|2,0,1]=4 7912 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [0,0,0,1,0,0|2,0,1]=4 7913 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [0,0,0,1,0,0|2,0,1]=4 7914 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [0,0,0,1,0,0|2,0,1]=4 7915 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [0,0,0,1,0,0|2,0,1]=4 7916 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,0,0,1,0,0|2,0,0]=3 7917 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,0,0,1,0,0|2,0,0]=3 7918 B10R1.21 C=CCCCN1CCSC1 2230a_100011215254_100011713584 [0,0,0,1,0,0|3,0,0]=4 7919 B10R1.21 C=CCCCN1CCSC1 269982a_100011215254_100000757094 [0,0,0,1,0,0|3,0,0]=4 7920 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,0,0,1,0,0|2,0,0]=3 7921 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,0,0,1,0,0|2,0,0]=3 7922 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,0,0,1,0,0|2,0,0]=3 7923 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,0,0,1,0,0|2,0,0]=3 7924 B10R1.21 C=CCCNC1CCOC1 2230a_100015191253_100000731011 [0,0,0,1,0,0|3,0,0]=4 7925 B10R1.21 C=CCCNC1CCOC1 270004a_100015191253_100000752484 [0,0,0,1,0,0|3,0,0]=4 7926 B10R1.21 C=CCCNC1CCSC1 270004a_100015191253_100000212027 [0,0,0,1,0,0|3,0,0]=4 7927 B10R1.21 C=CCCN[C@@H]1CCOC1 2230a_200015188469_100000754431 [0,0,0,1,0,0|3,0,0]=4 7928 B10R1.21 C=CCCN[C@H]1CCOC1 2230a_100015188467_100000754431 [0,0,0,1,0,0|3,0,0]=4 7929 B10R1.21 C=CCCN[C@H]1CCOC1 34a_100015188467_100000754431 [0,0,0,1,0,0|3,0,0]=4 7930 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,0,0,1,0,0|2,0,0]=3 7931 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,0,0,1,0,0|2,0,0]=3 7932 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,0,0,1,0,0|2,0,0]=3 7933 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,0,0,1,0,0|3,0,0]=4 7934 B10R1.21 C=CCCOC1CCOC1 34a_100011205117_100000690089 [0,0,0,1,0,0|3,0,0]=4 7935 B10R1.21 C=CCCOC1CCSC1 7a_100011232664_100000754431 [0,0,0,1,0,0|3,0,0]=4 7936 B10R1.21 C=CCCO[C@H]1CCOC1 34a_100000717292_100000754431 [0,0,0,1,0,0|3,0,0]=4 7937 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,0,0,1,0,0|2,0,0]=3 7938 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,0,0,1,0,0|2,0,0]=3 7939 B10R1.21 C=CCCSC1CCOC1 62a_100000754431_100000690089 [0,0,0,1,0,0|3,0,0]=4 7940 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [0,0,0,1,0,0|2,0,0]=3 7941 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [0,0,0,1,0,0|2,0,0]=3 7942 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [0,0,0,1,0,0|2,0,0]=3 7943 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,0,0,1,0,0|3,0,0]=4 7944 B10R1.21 C=CCNCC1CCOC1 2230a_100000737293_100000210623 [0,0,0,1,0,0|3,0,0]=4 7945 B10R1.21 C=CCNCC1CCOC1 2230a_100020586998_100000702531 [0,0,0,1,0,0|3,0,0]=4 7946 B10R1.21 C=CCNCC1CCOC1 34a_100000737293_100015514636 [0,0,0,1,0,0|3,0,0]=4 7947 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,0,0,1,0,0|3,0,0]=4 7948 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,0,0,1,0,0|3,0,0]=4 7949 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,0,0,1,0,0|2,0,0]=3 7950 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,0,0,1,0,0|2,0,0]=3 7951 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,0,0,1,0,0|2,0,0]=3 7952 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,0,0,1,0,0|3,0,0]=4 7953 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,0,0,1,0,0|3,0,0]=4 7954 B10R1.21 C=CCOCC1CCNC1 34a_100000748654_100015514636 [0,0,0,1,0,0|3,0,0]=4 7955 B10R1.21 C=CCOCC1CCOC1 34a_100000740260_100015514636 [0,0,0,1,0,0|3,0,0]=4 7956 B10R1.21 C=CCOCC1CCOC1 34a_200000210373_100011261433 [0,0,0,1,0,0|3,0,0]=4 7957 B10R1.21 C=CCOC[C@H]1CCCN1 34a_100000745186_100015514636 [0,0,0,1,0,0|3,0,0]=4 7958 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [0,0,0,1,0,0|2,0,0]=3 7959 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [0,0,0,1,0,0|2,0,0]=3 7960 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,0,0,1,0,0|3,0,0]=4 7961 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,0,0,1,0,0|3,0,0]=4 7962 B10R1.21 C=CCSCC1CCOC1 62a_100000210623_100000702531 [0,0,0,1,0,0|3,0,0]=4 7963 B10R1.21 C=CCSCC1CCOC1 62a_100000702531_100000210623 [0,0,0,1,0,0|3,0,0]=4 7964 B10R1.21 C=COCCN1CCCC1 2230a_100000188435_100000039644 [0,0,0,1,0,0|3,0,0]=4 7965 B10R1.21 C=COCCN1CCCC1 269982a_100000188435_100000039644 [0,0,0,1,0,0|3,0,0]=4 7966 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [0,0,0,1,0,0|2,0,1]=4 7967 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [0,0,0,1,0,0|2,0,1]=4 7968 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [0,0,0,1,0,0|2,0,1]=4 7969 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [0,0,0,1,0,0|2,0,1]=4 7970 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [0,0,0,1,0,0|2,0,1]=4 7971 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [0,0,0,1,0,0|2,0,1]=4 7972 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,0,0,1,0,0|2,0,1]=4 7973 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,0,0,1,0,0|2,0,1]=4 7974 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,0,0,1,0,0|2,0,1]=4 7975 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,0,0,1,0,0|3,0,0]=4 7976 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,0,0,1,0,0|3,0,0]=4 7977 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,0,0,1,0,0|2,0,1]=4 7978 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,0,0,1,0,0|2,0,1]=4 7979 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,0,0,1,0,0|2,0,1]=4 7980 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,0,0,1,0,0|2,0,1]=4 7981 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,0,0,1,0,0|2,0,1]=4 7982 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,0,0,1,0,0|2,0,1]=4 7983 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,0,0,1,0,0|3,0,0]=4 7984 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,0,0,1,0,0|3,0,0]=4 7985 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,0,0,1,0,0|3,0,0]=4 7986 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [0,0,0,1,0,0|3,0,0]=4 7987 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,0,0,1,0,0|3,0,0]=4 7988 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,0,0,1,0,0|3,0,0]=4 7989 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,0,0,1,0,0|3,0,0]=4 7990 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,0,0,1,0,0|2,0,1]=4 7991 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,0,0,1,0,0|2,0,1]=4 7992 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,0,0,1,0,0|2,0,1]=4 7993 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,0,0,1,0,0|2,0,1]=4 7994 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,0,1,0,0|1,0,2]=4 7995 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,0,0,1,0,0|3,0,0]=4 7996 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,0,0,1,0,0|3,0,0]=4 7997 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,0,0,1,0,0|3,0,0]=4 7998 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,0,0,1,0,0|3,0,0]=4 7999 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,0,0,1,0,0|2,0,1]=4 8000 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,0,0,1,0,0|2,0,1]=4 8001 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,0,0,1,0,0|3,0,0]=4 8002 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,0,0,1,0,0|2,0,1]=4 8003 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,0,0,1,0,0|2,0,1]=4 8004 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,0,0,1,0,0|2,0,1]=4 8005 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,0,0,1,0,0|3,0,0]=4 8006 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,0,0,1,0,0|3,0,0]=4 8007 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|1,0,2]=4 8008 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|1,0,2]=4 8009 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,0,0,1,0,0|2,0,1]=4 8010 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,0,0,1,0,0|2,0,1]=4 8011 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,0,0,1,0,0|2,0,1]=4 8012 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,0,0,1,0,0|2,0,1]=4 8013 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|1,0,2]=4 8014 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|1,0,2]=4 8015 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,0,0,1,0,0|3,0,0]=4 8016 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,0,0,1,0,0|3,0,0]=4 8017 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,0,0,1,0,0|3,0,0]=4 8018 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,0,0,1,0,0|2,0,1]=4 8019 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,0,0,1,0,0|2,0,1]=4 8020 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,0,0,1,0,0|2,0,1]=4 8021 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|1,0,2]=4 8022 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|1,0,2]=4 8023 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,0,0,1,0,0|3,0,0]=4 8024 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,0,0,1,0,0|3,0,0]=4 8025 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,0,0,1,0,0|2,0,1]=4 8026 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,0,0,1,0,0|2,0,1]=4 8027 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,0,0,1,0,0|2,0,1]=4 8028 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,0,0,1,0,0|2,0,1]=4 8029 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,0,0,1,0,0|2,0,1]=4 8030 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,0,0,1,0,0|2,0,1]=4 8031 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,0,0,1,0,0|3,0,0]=4 8032 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,0,0,1,0,0|3,0,0]=4 8033 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,0,0,1,0,0|2,0,1]=4 8034 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,0,0,1,0,0|2,0,1]=4 8035 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,0,0,1,0,0|2,0,0]=3 8036 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,0,0,1,0,0|2,0,0]=3 8037 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,0,0,1,0,0|2,0,0]=3 8038 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,0,0,1,0,0|2,0,0]=3 8039 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,0,0,1,0,0|2,0,0]=3 8040 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [0,0,0,1,0,0|3,0,0]=4 8041 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [0,0,0,1,0,0|3,0,0]=4 8042 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [0,0,0,1,0,0|3,0,0]=4 8043 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,0,0,1,0,0|3,0,0]=4 8044 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,0,0,1,0,0|2,0,0]=3 8045 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,0,0,1,0,0|2,0,0]=3 8046 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,0,0,1,0,0|2,0,0]=3 8047 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [0,0,0,1,0,0|3,0,0]=4 8048 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [0,0,0,1,0,0|3,0,0]=4 8049 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [0,0,0,1,0,0|3,0,0]=4 8050 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,0,0,1,0,0|3,0,0]=4 8051 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,0,0,1,0,0|3,0,0]=4 8052 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,0,0,1,0,0|3,0,0]=4 8053 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,0,0,1,0,0|3,0,0]=4 8054 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,0,0,1,0,0|3,0,0]=4 8055 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,0,0,1,0,0|3,0,0]=4 8056 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,0,0,1,0,0|3,0,0]=4 8057 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,0,0,1,0,0|3,0,0]=4 8058 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,0,0,1,0,0|3,0,0]=4 8059 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,0,0,1,0,0|3,0,0]=4 8060 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,0,0,1,0,0|3,0,0]=4 8061 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,0,0,1,0,0|3,0,0]=4 8062 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,0,0,1,0,0|3,0,0]=4 8063 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,0,0,1,0,0|3,0,0]=4 8064 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,0,0,1,0,0|3,0,0]=4 8065 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8066 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,0,0,1,0,0|2,0,0]=3 8067 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [0,0,0,1,0,0|3,0,0]=4 8068 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [0,0,0,1,0,0|3,0,0]=4 8069 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [0,0,0,1,0,0|3,0,0]=4 8070 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [0,0,0,1,0,0|3,0,0]=4 8071 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [0,0,0,1,0,0|3,0,0]=4 8072 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [0,0,0,1,0,0|3,0,0]=4 8073 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,0,0,1,0,0|3,0,0]=4 8074 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,0,0,1,0,0|3,0,0]=4 8075 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,0,0,1,0,0|3,0,0]=4 8076 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,0,0,1,0,0|3,0,0]=4 8077 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [0,0,0,1,0,0|3,0,0]=4 8078 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [0,0,0,1,0,0|3,0,0]=4 8079 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [0,0,0,1,0,0|3,0,0]=4 8080 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [0,0,0,1,0,0|3,0,0]=4 8081 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [0,0,0,1,0,0|3,0,0]=4 8082 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [0,0,0,1,0,0|3,0,0]=4 8083 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [0,0,0,1,0,0|3,0,0]=4 8084 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,0,0,1,0,0|2,0,1]=4 8085 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [0,0,0,1,0,0|2,0,1]=4 8086 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [0,0,0,1,0,0|2,0,1]=4 8087 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [0,0,0,1,0,0|2,0,1]=4 8088 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [0,0,0,1,0,0|2,0,1]=4 8089 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [0,0,0,1,0,0|2,0,1]=4 8090 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [0,0,0,1,0,0|2,0,1]=4 8091 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [0,0,0,1,0,0|2,0,1]=4 8092 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,0,0,1,0,0|2,0,1]=4 8093 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,0,0,1,0,0|2,0,1]=4 8094 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,0,0,1,0,0|2,0,1]=4 8095 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [0,0,0,1,0,0|2,0,1]=4 8096 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [0,0,0,1,0,0|2,0,1]=4 8097 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [0,0,0,1,0,0|2,0,1]=4 8098 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [0,0,0,1,0,0|2,0,1]=4 8099 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [0,0,0,1,0,0|2,0,1]=4 8100 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [0,0,0,1,0,0|2,0,1]=4 8101 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,0,0,1,0,0|2,0,1]=4 8102 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,0,0,1,0,0|2,0,1]=4 8103 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [0,0,0,1,0,0|2,0,1]=4 8104 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [0,0,0,1,0,0|2,0,1]=4 8105 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [0,0,0,1,0,0|2,0,1]=4 8106 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,0,0,1,0,0|2,0,1]=4 8107 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,0,0,1,0,0|2,0,1]=4 8108 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [0,0,0,1,0,0|2,0,1]=4 8109 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [0,0,0,1,0,0|2,0,1]=4 8110 B10R1.21 N#CCCCN1CCCC1 2230a_100000188435_100000687738 [0,0,0,1,0,0|2,0,1]=4 8111 B10R1.21 N#CCCCN1CCCC1 269982a_100000188435_100000687738 [0,0,0,1,0,0|2,0,1]=4 8112 B10R1.21 N#CCCNC1CCCC1 2230a_100000211070_100011215226 [0,0,0,1,0,0|2,0,1]=4 8113 B10R1.21 N#CCCNC1CCCC1 270004a_100000720768_100000210133 [0,0,0,1,0,0|2,0,1]=4 8114 B10R1.21 N#CCCOC1CCCC1 7a_100000210269_100000184422 [0,0,0,1,0,0|2,0,1]=4 8115 B10R1.21 N#CCCSC1CCCC1 62a_100011215226_100000179811 [0,0,0,1,0,0|2,0,1]=4 8116 B10R1.21 N#CCCSC1CCCC1 62a_100011217020_100011215226 [0,0,0,1,0,0|2,0,1]=4 8117 B10R1.21 N#CCNCC1CCCC1 2230a_100000737975_100011215382 [0,0,0,1,0,0|2,0,1]=4 8118 B10R1.21 N#CCOCC1CCCC1 7a_100000742336_100011215382 [0,0,0,1,0,0|2,0,1]=4 8119 B10R1.21 N#CCSCC1CCCC1 62a_100000740388_100011215382 [0,0,0,1,0,0|2,0,1]=4 8120 B10R1.21 N#CCSCC1CCCC1 62a_100011215382_100000740388 [0,0,0,1,0,0|2,0,1]=4 8121 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,0,0,1,0,0|2,0,1]=4 8122 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,0,0,1,0,0|2,0,1]=4 8123 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,0,0,1,0,0|3,0,0]=4 8124 B10R1.21 O=CCCCN1CC=CC1 269982a_100015195280_200011292268 [0,0,0,1,0,0|1,0,2]=4 8125 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,0,0,1,0,0|1,0,0]=2 8126 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,0,0,1,0,0|1,0,0]=2 8127 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [0,0,0,1,0,0|2,0,0]=3 8128 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [0,0,0,1,0,0|2,0,0]=3 8129 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,0,0,1,0,0|1,0,0]=2 8130 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,0,0,1,0,0|1,0,0]=2 8131 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [0,0,0,1,0,0|2,0,0]=3 8132 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [0,0,0,1,0,0|2,0,0]=3 8133 B10R1.21 O=CCNCC1OCCO1 2230a_100000036311_200015260668 [0,0,0,1,0,0|3,0,0]=4 8134 B10R1.21 O=CCNCC1OCCO1 34a_100000036311_200009817547 [0,0,0,1,0,0|3,0,0]=4 8135 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,0,0,1,0,0|2,0,0]=3 8136 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,0,0,1,0,0|2,0,0]=3 8137 B10R1.21 O=CCOCC1CC=CC1 34a_100000688395_200009817547 [0,0,0,1,0,0|1,0,2]=4 8138 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,0,0,1,0,0|1,0,0]=2 8139 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,0,0,1,0,0|1,0,0]=2 8140 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,0,0,1,0,0|2,0,0]=3 8141 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,0,0,1,0,0|2,0,0]=3 8142 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [0,0,0,1,0,0|2,0,0]=3 8143 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [0,0,0,1,0,0|2,0,0]=3 8144 B10R1.21 O=CCOCC1COCO1 34a_100011216627_200009817547 [0,0,0,1,0,0|3,0,0]=4 8145 B10R1.21 O=CCOCC1OCCO1 34a_100000087154_200009817547 [0,0,0,1,0,0|3,0,0]=4 8146 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,0,0,1,0,0|2,0,0]=3 8147 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,0,0,1,0,0|1,0,0]=2 8148 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,0,0,1,0,0|1,0,0]=2 8149 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,0,0,1,0,0|2,0,0]=3 8150 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,0,0,1,0,0|2,0,0]=3 8151 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [0,0,0,1,0,0|2,0,0]=3 8152 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [0,0,0,1,0,0|2,0,0]=3 8153 B10R1.21 O=CCSCC1OCCO1 62a_100000755774_200015260668 [0,0,0,1,0,0|3,0,0]=4 8154 B10R1.21 O=CCSCC1OCCO1 62a_200015260668_100000755774 [0,0,0,1,0,0|3,0,0]=4 8155 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,0,0,1,0,0|1,0,2]=4 8156 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,0,0,1,0,0|1,0,2]=4 8157 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,0,0,1,0,0|1,0,2]=4 8158 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,0,0,1,0,0|1,0,2]=4 8159 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,0,0,1,0,0|1,0,2]=4 8160 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,0,0,1,0,0|1,0,2]=4 8161 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,0,0,1,0,0|1,0,2]=4 8162 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,0,0,1,0,0|1,0,2]=4 8163 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,0,0,1,0,0|1,0,2]=4 8164 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,0,1,0,0|1,0,2]=4 8165 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,0,1,0,0|1,0,2]=4 8166 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,0,1,0,0|1,0,2]=4 8167 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,0,1,0,0|1,0,2]=4 8168 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,0,1,0,0|1,0,2]=4 8169 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,0,0,1,0,0|1,0,2]=4 8170 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,0,0,1,0,0|1,0,2]=4 8171 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,0,0,1,0,0|1,0,2]=4 8172 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,0,0,1,0,0|1,0,2]=4 8173 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,0,0,1,0,0|2,0,0]=3 8174 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,0,0,1,0,0|2,0,0]=3 8175 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,0,0,1,0,0|3,0,0]=4 8176 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,0,0,1,0,0|2,0,0]=3 8177 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,0,0,1,0,0|2,0,0]=3 8178 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,0,0,1,0,0|3,0,0]=4 8179 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,0,0,1,0,0|3,0,0]=4 8180 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,0,0,1,0,0|3,0,0]=4 8181 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8182 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,0,0,1,0,0|2,0,0]=3 8183 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [0,0,0,1,0,0|3,0,0]=4 8184 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [0,0,0,1,0,0|3,0,0]=4 8185 B10R1.29 C#CCCN1CCC[C@@H]1C 2230a_100020605311_100000688953 [0,0,0,1,0,0|2,0,1]=4 8186 B10R1.29 C#CCCN1CCC[C@@H]1C 269982a_100020605311_100000730999 [0,0,0,1,0,0|2,0,1]=4 8187 B10R1.29 C#CCCN1CCC[C@H]1C 2230a_100015189458_100000688953 [0,0,0,1,0,0|2,0,1]=4 8188 B10R1.29 C#CCCN1CCC[C@H]1C 269982a_100015189458_100000730999 [0,0,0,1,0,0|2,0,1]=4 8189 B10R1.29 C#CCCN1CCC[C@H]1C 34a_100015189458_100000688953 [0,0,0,1,0,0|2,0,1]=4 8190 B10R1.29 C#CCNC1CCCC1=O 34a_100000212058_100000709159 [0,0,0,1,0,0|1,0,2]=4 8191 B10R1.29 C#CCOC1CCCC1=O 34a_100000210247_100000709159 [0,0,0,1,0,0|1,0,2]=4 8192 B10R1.29 C#CCOC1CCCC1=O 34a_200000719330_100000184674 [0,0,0,1,0,0|1,0,2]=4 8193 B10R1.29 C#CCOC1CCCC1C 34a_100011216460_100000184674 [0,0,0,1,0,0|2,0,1]=4 8194 B10R1.29 C#CCOC1CCCC1C 7a_100011216460_100000038162 [0,0,0,1,0,0|2,0,1]=4 8195 B10R1.29 C#CCSC1CCCC1=O 62a_100000038162_100000211823 [0,0,0,1,0,0|1,0,2]=4 8196 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [0,0,0,1,0,0|2,0,1]=4 8197 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [0,0,0,1,0,0|2,0,1]=4 8198 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [0,0,0,1,0,0|2,0,1]=4 8199 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,0,0,1,0,0|2,0,0]=3 8200 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,0,0,1,0,0|2,0,0]=3 8201 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,0,0,1,0,0|2,0,0]=3 8202 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,0,0,1,0,0|2,0,0]=3 8203 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,0,0,1,0,0|2,0,0]=3 8204 B10R1.29 C=CCCN1CCSC1C 2230a_200011216479_100000754431 [0,0,0,1,0,0|3,0,0]=4 8205 B10R1.29 C=CCCN1CCSC1C 269982a_200011216479_100000754431 [0,0,0,1,0,0|3,0,0]=4 8206 B10R1.29 C=CCCN1CCSC1C 34a_200011216479_100000754431 [0,0,0,1,0,0|3,0,0]=4 8207 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [0,0,0,1,0,0|1,0,2]=4 8208 B10R1.29 C=CCNC1CCOC1C 270004a_100020586998_100000691750 [0,0,0,1,0,0|3,0,0]=4 8209 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [0,0,0,1,0,0|1,0,2]=4 8210 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [0,0,0,1,0,0|1,0,2]=4 8211 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,0,0,1,0,0|2,0,0]=3 8212 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,0,0,1,0,0|2,0,0]=3 8213 B10R1.29 C=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015514636 [0,0,0,1,0,0|3,0,0]=4 8214 B10R1.29 C=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015514636 [0,0,0,1,0,0|3,0,0]=4 8215 B10R1.29 C=CCO[C@H]1CNC[C@H]1C 34a_200015306588_100015514636 [0,0,0,1,0,0|3,0,0]=4 8216 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [0,0,0,1,0,0|1,0,2]=4 8217 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [0,0,0,1,0,0|1,0,2]=4 8218 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_100000210623_200016002552 [0,0,0,1,0,0|3,0,0]=4 8219 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210623 [0,0,0,1,0,0|3,0,0]=4 8220 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [0,0,0,1,0,0|2,0,1]=4 8221 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,0,0,1,0,0|1,0,2]=4 8222 B10R1.29 CC1CCCC1OCC#N 7a_100011216460_100011215382 [0,0,0,1,0,0|2,0,1]=4 8223 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,0,0,1,0,0|1,0,0]=2 8224 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,0,0,1,0,0|1,0,0]=2 8225 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,0,0,1,0,0|2,0,1]=4 8226 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,0,0,1,0,0|2,0,1]=4 8227 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,0,0,1,0,0|1,0,2]=4 8228 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,0,0,1,0,0|1,0,2]=4 8229 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [0,0,0,1,0,0|2,0,1]=4 8230 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [0,0,0,1,0,0|2,0,1]=4 8231 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [0,0,0,1,0,0|2,0,1]=4 8232 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,0,0,1,0,0|2,0,1]=4 8233 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,0,0,1,0,0|2,0,1]=4 8234 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,0,0,1,0,0|2,0,1]=4 8235 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,0,0,1,0,0|2,0,1]=4 8236 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,0,0,1,0,0|2,0,1]=4 8237 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,0,0,1,0,0|2,0,1]=4 8238 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,0,0,1,0,0|2,0,0]=3 8239 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,0,0,1,0,0|2,0,0]=3 8240 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,0,0,1,0,0|3,0,0]=4 8241 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,0,0,1,0,0|3,0,0]=4 8242 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|1,0,0]=2 8243 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|1,0,0]=2 8244 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,0,0,1,0,0|2,0,1]=4 8245 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,0,0,1,0,0|2,0,1]=4 8246 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|2,0,0]=3 8247 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,0,0,1,0,0|2,0,1]=4 8248 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,0,0,1,0,0|2,0,1]=4 8249 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,0,0,1,0,0|2,0,0]=3 8250 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|1,0,0]=2 8251 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|1,0,0]=2 8252 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|2,0,0]=3 8253 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|2,0,0]=3 8254 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,0,0,1,0,0|1,0,2]=4 8255 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,0,0,1,0,0|1,0,2]=4 8256 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,0,0,1,0,0|1,0,2]=4 8257 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,0,0,1,0,0|3,0,0]=4 8258 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,0,0,1,0,0|2,0,0]=3 8259 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,0,0,1,0,0|2,0,0]=3 8260 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,0,0,1,0,0|2,0,0]=3 8261 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,0,0,1,0,0|3,0,0]=4 8262 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,0,0,1,0,0|3,0,0]=4 8263 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [0,0,0,1,0,0|3,0,0]=4 8264 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [0,0,0,1,0,0|3,0,0]=4 8265 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [0,0,0,1,0,0|3,0,0]=4 8266 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [0,0,0,1,0,0|3,0,0]=4 8267 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [0,0,0,1,0,0|3,0,0]=4 8268 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,0,0,1,0,0|2,0,0]=3 8269 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,0,0,1,0,0|2,0,0]=3 8270 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,0,0,1,0,0|2,0,0]=3 8271 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,0,0,1,0,0|2,0,0]=3 8272 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,0,0,1,0,0|3,0,0]=4 8273 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,0,0,1,0,0|3,0,0]=4 8274 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,0,0,1,0,0|3,0,0]=4 8275 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,0,0,1,0,0|3,0,0]=4 8276 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,0,0,1,0,0|3,0,0]=4 8277 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,0,0,1,0,0|3,0,0]=4 8278 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,0,0,1,0,0|2,0,0]=3 8279 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,0,0,1,0,0|2,0,0]=3 8280 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,0,0,1,0,0|2,0,0]=3 8281 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,0,0,1,0,0|3,0,0]=4 8282 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,0,0,1,0,0|3,0,0]=4 8283 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,0,0,1,0,0|3,0,0]=4 8284 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,0,0,1,0,0|3,0,0]=4 8285 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,0,0,1,0,0|3,0,0]=4 8286 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,0,0,1,0,0|3,0,0]=4 8287 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,0,0,1,0,0|3,0,0]=4 8288 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,0,0,1,0,0|2,0,0]=3 8289 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,0,0,1,0,0|2,0,0]=3 8290 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,0,0,1,0,0|3,0,0]=4 8291 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,0,0,1,0,0|3,0,0]=4 8292 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [0,0,0,1,0,0|3,0,0]=4 8293 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [0,0,0,1,0,0|3,0,0]=4 8294 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,0,0,1,0,0|2,0,0]=3 8295 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,0,0,1,0,0|2,0,0]=3 8296 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [0,0,0,1,0,0|3,0,0]=4 8297 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [0,0,0,1,0,0|3,0,0]=4 8298 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [0,0,0,1,0,0|3,0,0]=4 8299 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [0,0,0,1,0,0|3,0,0]=4 8300 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [0,0,0,1,0,0|3,0,0]=4 8301 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,0,0,1,0,0|3,0,0]=4 8302 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,0,0,1,0,0|3,0,0]=4 8303 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,0,0,1,0,0|3,0,0]=4 8304 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,0,0,1,0,0|3,0,0]=4 8305 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,0,0,1,0,0|2,0,0]=3 8306 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,0,0,1,0,0|3,0,0]=4 8307 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,0,0,1,0,0|3,0,0]=4 8308 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,0,0,1,0,0|2,0,0]=3 8309 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,0,0,1,0,0|2,0,0]=3 8310 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,0,0,1,0,0|3,0,0]=4 8311 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,0,0,1,0,0|3,0,0]=4 8312 B10R1.29 C[C@@H]1CCCN1CCC#N 2230a_100015189458_100011215226 [0,0,0,1,0,0|2,0,1]=4 8313 B10R1.29 C[C@@H]1CCCN1CCC#N 269982a_100015189458_100011215226 [0,0,0,1,0,0|2,0,1]=4 8314 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [0,0,0,1,0,0|2,0,1]=4 8315 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [0,0,0,1,0,0|2,0,1]=4 8316 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [0,0,0,1,0,0|2,0,1]=4 8317 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,0,0,1,0,0|1,0,2]=4 8318 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,0,0,1,0,0|1,0,2]=4 8319 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,0,0,1,0,0|1,0,2]=4 8320 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [0,0,0,1,0,0|2,0,0]=3 8321 B10R1.29 C[C@H]1CCCN1CCC#N 2230a_100020605311_100011215226 [0,0,0,1,0,0|2,0,1]=4 8322 B10R1.29 C[C@H]1CCCN1CCC#N 269982a_100020605311_100011215226 [0,0,0,1,0,0|2,0,1]=4 8323 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [0,0,0,1,0,0|2,0,1]=4 8324 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [0,0,0,1,0,0|2,0,1]=4 8325 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,0,0,1,0,0|1,0,2]=4 8326 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,0,0,1,0,0|1,0,2]=4 8327 B10R1.29 N#CCSC1CCCC1=O 62a_100000211823_100011215382 [0,0,0,1,0,0|2,0,1]=4 8328 B10R1.29 N#CCSC1CCCC1=O 62a_100011215382_100000211823 [0,0,0,1,0,0|2,0,1]=4 8329 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,0,0,1,0,0|2,0,0]=3 8330 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,0,0,1,0,0|3,0,0]=4 8331 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [0,0,0,1,0,0|2,0,0]=3 8332 B10R1.29 N[C@H]1COC[C@@H]1OCC=O 34a_100015191717_200009817547 [0,0,0,1,0,0|3,0,0]=4 8333 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,0,0,1,0,0|2,0,0]=3 8334 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,0,0,1,0,0|2,0,0]=3 8335 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,0,0,1,0,0|2,0,0]=3 8336 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,0,0,1,0,0|2,0,0]=3 8337 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,0,0,1,0,0|2,0,0]=3 8338 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|2,0,0]=3 8339 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,0,0,1,0,0|2,0,0]=3 8340 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,0,0,1,0,0|2,0,0]=3 8341 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,0,0,1,0,0|2,0,0]=3 8342 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,0,0,1,0,0|2,0,0]=3 8343 B10R1.29 O=C1CCCN1CSCF 62a_100000026320_100015361967 [0,0,0,1,0,0|3,0,0]=4 8344 B10R1.29 O=C1CCCN1CSCF 62a_100015361967_100000026320 [0,0,0,1,0,0|3,0,0]=4 8345 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,0,0,1,0,0|3,0,0]=4 8346 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,0,0,1,0,0|3,0,0]=4 8347 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,0,0,1,0,0|3,0,0]=4 8348 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,0,0,1,0,0|3,0,0]=4 8349 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,0,0,1,0,0|3,0,0]=4 8350 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,0,0,1,0,0|3,0,0]=4 8351 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,0,0,1,0,0|3,0,0]=4 8352 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,0,0,1,0,0|3,0,0]=4 8353 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,0,0,1,0,0|3,0,0]=4 8354 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,0,0,1,0,0|3,0,0]=4 8355 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,0,0,1,0,0|3,0,0]=4 8356 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,0,0,1,0,0|3,0,0]=4 8357 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,0,0,1,0,0|3,0,0]=4 8358 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,0,0,1,0,0|3,0,0]=4 8359 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,0,0,1,0,0|3,0,0]=4 8360 B10R1.29 O=CCN[C@H]1COC[C@@H]1O 2230a_100015191717_200015260668 [0,0,0,1,0,0|3,0,0]=4 8361 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,0,0,1,0,0|2,0,1]=4 8362 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [0,0,0,1,0,0|2,0,0]=3 8363 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [0,0,0,1,0,0|2,0,1]=4 8364 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [0,0,0,1,0,0|2,0,1]=4 8365 B10R1.29 O=CCSC1COCC1O 62a_200000725654_200015260668 [0,0,0,1,0,0|3,0,0]=4 8366 B10R1.29 O=CCSC1COCC1O 62a_200015260668_200000725654 [0,0,0,1,0,0|3,0,0]=4 8367 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,0,0,1,0,0|2,0,0]=3 8368 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,0,0,1,0,0|2,0,0]=3 8369 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,0,0,1,0,0|2,0,0]=3 8370 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,0,0,1,0,0|3,0,0]=4 8371 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,0,0,1,0,0|2,0,0]=3 8372 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,0,0,1,0,0|2,0,0]=3 8373 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,0,0,1,0,0|3,0,0]=4 8374 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,0,0,1,0,0|2,0,0]=3 8375 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,0,0,1,0,0|2,0,0]=3 8376 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,0,0,1,0,0|3,0,0]=4 8377 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,0,0,1,0,0|3,0,0]=4 8378 B10R1.37 C#CCCCN1CCC1C 269982a_100000755817_100011215417 [0,0,0,1,0,0|2,0,1]=4 8379 B10R1.37 C#CCCCN1CCC1C 34a_100000755817_100000695029 [0,0,0,1,0,0|2,0,1]=4 8380 B10R1.37 C#CCCNC1CCC1=O 34a_100000755551_100009892977 [0,0,0,1,0,0|1,0,2]=4 8381 B10R1.37 C#CCCOC1CCC1=O 34a_100011215631_100009892977 [0,0,0,1,0,0|1,0,2]=4 8382 B10R1.37 C#CCCSC1CCC1=O 62a_100000688953_100009892977 [0,0,0,1,0,0|1,0,2]=4 8383 B10R1.37 C#CCCSC1CCC1=O 62a_100009892977_100000688953 [0,0,0,1,0,0|1,0,2]=4 8384 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [0,0,0,1,0,0|1,0,2]=4 8385 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [0,0,0,1,0,0|1,0,2]=4 8386 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [0,0,0,1,0,0|1,0,2]=4 8387 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,0,0,1,0,0|2,0,0]=3 8388 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,0,0,1,0,0|2,0,0]=3 8389 B10R1.37 C=CCCOC1CCC1=O 34a_100011205117_100009892977 [0,0,0,1,0,0|1,0,2]=4 8390 B10R1.37 C=CCCSC1CCC1=O 62a_100000754431_100009892977 [0,0,0,1,0,0|1,0,2]=4 8391 B10R1.37 C=CCCSC1CCC1=O 62a_100009892977_100000754431 [0,0,0,1,0,0|1,0,2]=4 8392 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [0,0,0,1,0,0|3,0,0]=4 8393 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [0,0,0,1,0,0|3,0,0]=4 8394 B10R1.37 CC#CCNC1CCC1=O 34a_100000685387_100009892977 [0,0,0,1,0,0|1,0,2]=4 8395 B10R1.37 CC#CCOC1CCC1=O 34a_100000761923_100009892977 [0,0,0,1,0,0|1,0,2]=4 8396 B10R1.37 CC#CCSC1CCC1=O 62a_100000748600_100009892977 [0,0,0,1,0,0|1,0,2]=4 8397 B10R1.37 CC#CCSC1CCC1=O 62a_100009892977_100000748600 [0,0,0,1,0,0|1,0,2]=4 8398 B10R1.37 CC1CCN1CCCC#N 269982a_100000755817_100000687738 [0,0,0,1,0,0|2,0,1]=4 8399 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,0,0,1,0,0|1,0,0]=2 8400 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,0,0,1,0,0|2,0,1]=4 8401 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,0,0,1,0,0|2,0,1]=4 8402 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,0,0,1,0,0|1,0,2]=4 8403 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,0,0,1,0,0|1,0,2]=4 8404 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [0,0,0,1,0,0|1,0,2]=4 8405 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [0,0,0,1,0,0|1,0,2]=4 8406 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,0,0,1,0,0|2,0,1]=4 8407 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,0,0,1,0,0|2,0,1]=4 8408 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|1,0,0]=2 8409 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|1,0,0]=2 8410 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|1,0,0]=2 8411 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|1,0,0]=2 8412 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|1,0,0]=2 8413 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,1,0,0|1,0,0]=2 8414 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,0,0,1,0,0|2,0,0]=3 8415 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,0,0,1,0,0|2,0,0]=3 8416 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,1,0,0|1,0,0]=2 8417 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,1,0,0|1,0,0]=2 8418 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,0,0,1,0,0|3,0,0]=4 8419 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,0,0,1,0,0|3,0,0]=4 8420 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,0,0,1,0,0|2,0,0]=3 8421 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,0,0,1,0,0|2,0,0]=3 8422 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,0,0,1,0,0|2,0,0]=3 8423 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,0,0,1,0,0|2,0,0]=3 8424 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,0,0,1,0,0|2,0,0]=3 8425 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,0,0,1,0,0|2,0,0]=3 8426 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,0,0,1,0,0|2,0,0]=3 8427 B10R1.37 N#CCCSC1CCC1=O 62a_100009892977_100011215226 [0,0,0,1,0,0|2,0,1]=4 8428 B10R1.37 N#CCCSC1CCC1=O 62a_100011215226_100009892977 [0,0,0,1,0,0|2,0,1]=4 8429 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|2,0,0]=3 8430 B10R1.37 NOCCOC1CCC1=O 34a_100000700252_100009892977 [0,0,0,1,0,0|3,0,0]=4 8431 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,0,0,1,0,0|2,0,0]=3 8432 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,0,0,1,0,0|2,0,0]=3 8433 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,0,0,1,0,0|2,0,0]=3 8434 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,0,0,1,0,0|2,0,0]=3 8435 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,0,0,1,0,0|2,0,0]=3 8436 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,0,0,1,0,0|2,0,0]=3 8437 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,0,0,1,0,0|2,0,0]=3 8438 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,0,0,1,0,0|2,0,0]=3 8439 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,1,0,0|2,0,0]=3 8440 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,1,0,0|2,0,0]=3 8441 B10R1.56 C#CCCOCC1CC1C 34a_100000744939_100000688953 [0,0,0,1,0,0|2,0,1]=4 8442 B10R1.56 C#CCCOCC1CC1C 7a_100000744939_100000688953 [0,0,0,1,0,0|2,0,1]=4 8443 B10R1.56 C/C=C/COCC1CC1C 34a_100000744939_100102629194 [0,0,0,1,0,0|2,0,1]=4 8444 B10R1.56 C/C=C/COCC1CC1C 7a_100000744939_100102629194 [0,0,0,1,0,0|2,0,1]=4 8445 B10R1.56 C=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011713584 [0,0,0,1,0,0|3,0,0]=4 8446 B10R1.56 C=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011713584 [0,0,0,1,0,0|3,0,0]=4 8447 B10R1.56 C=CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757094 [0,0,0,1,0,0|3,0,0]=4 8448 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,0,0,1,0,0|2,0,0]=3 8449 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,0,0,1,0,0|2,0,0]=3 8450 B10R1.56 CC1CC1COCCC#N 7a_100000744939_100000184422 [0,0,0,1,0,0|2,0,1]=4 8451 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,0,0,1,0,0|2,0,1]=4 8452 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,0,0,1,0,0|2,0,1]=4 8453 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,0,0,1,0,0|1,0,2]=4 8454 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,0,0,1,0,0|1,0,2]=4 8455 B10R1.56 CC=CCOCC1CC1C 34a_100000744939_100000070051 [0,0,0,1,0,0|2,0,1]=4 8456 B10R1.56 CC=CCOCC1CC1C 7a_100000744939_100000070051 [0,0,0,1,0,0|2,0,1]=4 8457 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,0,0,1,0,0|2,0,1]=4 8458 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,0,0,1,0,0|2,0,1]=4 8459 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,0,0,1,0,0|2,0,1]=4 8460 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|2,0,1]=4 8461 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|2,0,1]=4 8462 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,0,0,1,0,0|3,0,0]=4 8463 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,0,0,1,0,0|3,0,0]=4 8464 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,0,0,1,0,0|3,0,0]=4 8465 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,0,0,1,0,0|3,0,0]=4 8466 B10R1.56 O=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200011292268 [0,0,0,1,0,0|2,0,0]=3 8467 B10R1.56 O=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200011292268 [0,0,0,1,0,0|2,0,0]=3 8468 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,0,0,1,0,0|2,0,1]=4 8469 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,0,0,1,0,0|2,0,1]=4 8470 B10R1.57 C#CCCCCN1CCC1 269982a_100000754969_100010269958 [0,0,0,1,0,0|2,0,1]=4 8471 B10R1.57 C#CCCCNC1CCC1 2230a_100000749019_100000731252 [0,0,0,1,0,0|2,0,1]=4 8472 B10R1.57 C#CCCCNC1CCC1 270004a_100000718082_100000241760 [0,0,0,1,0,0|2,0,1]=4 8473 B10R1.57 C#CCCCNC1CCC1 34a_100000718082_100000749161 [0,0,0,1,0,0|2,0,1]=4 8474 B10R1.57 C#CCCCNC1CCC1 34a_100000749019_100000695029 [0,0,0,1,0,0|2,0,1]=4 8475 B10R1.57 C#CCCCOC1CCC1 34a_100000215630_100000749161 [0,0,0,1,0,0|2,0,1]=4 8476 B10R1.57 C#CCCCOC1CCC1 34a_100000748187_100000695029 [0,0,0,1,0,0|2,0,1]=4 8477 B10R1.57 C#CCCCSC1CCC1 62a_100011215417_100000749161 [0,0,0,1,0,0|2,0,1]=4 8478 B10R1.57 C#CCCNCC1CCC1 2230a_100000738700_100000688953 [0,0,0,1,0,0|2,0,1]=4 8479 B10R1.57 C#CCCNCC1CCC1 34a_100000738700_100000688953 [0,0,0,1,0,0|2,0,1]=4 8480 B10R1.57 C#CCCNCC1CCC1 34a_100000755551_100000763275 [0,0,0,1,0,0|2,0,1]=4 8481 B10R1.57 C#CCCOCC1CCC1 34a_100000760304_100000688953 [0,0,0,1,0,0|2,0,1]=4 8482 B10R1.57 C#CCCOCC1CCC1 34a_100011215631_100000763275 [0,0,0,1,0,0|2,0,1]=4 8483 B10R1.57 C#CCCSCC1CCC1 62a_100000688953_100000763275 [0,0,0,1,0,0|2,0,1]=4 8484 B10R1.57 C#CCCSCC1CCC1 62a_100000763275_100000688953 [0,0,0,1,0,0|2,0,1]=4 8485 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [0,0,0,1,0,0|2,0,1]=4 8486 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [0,0,0,1,0,0|2,0,1]=4 8487 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [0,0,0,1,0,0|2,0,1]=4 8488 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [0,0,0,1,0,0|2,0,1]=4 8489 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [0,0,0,1,0,0|2,0,1]=4 8490 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [0,0,0,1,0,0|2,0,1]=4 8491 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,0,0,1,0,0|2,0,0]=3 8492 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,0,0,1,0,0|2,0,0]=3 8493 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,0,0,1,0,0|2,0,0]=3 8494 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,0,0,1,0,0|2,0,0]=3 8495 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,0,0,1,0,0|2,0,0]=3 8496 B10R1.57 C=CCCCNC1COC1 2230a_100016991112_100011713584 [0,0,0,1,0,0|3,0,0]=4 8497 B10R1.57 C=CCCCNC1COC1 34a_100000700776_100009818527 [0,0,0,1,0,0|3,0,0]=4 8498 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,0,0,1,0,0|2,0,0]=3 8499 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,0,0,1,0,0|2,0,0]=3 8500 B10R1.57 C=CCCCOC1COC1 34a_100000758997_100009818527 [0,0,0,1,0,0|3,0,0]=4 8501 B10R1.57 C=CCCCOC1COC1 7a_100000758997_100009818527 [0,0,0,1,0,0|3,0,0]=4 8502 B10R1.57 C=CCCCOC1CSC1 7a_100000072292_100000757094 [0,0,0,1,0,0|3,0,0]=4 8503 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,0,0,1,0,0|2,0,0]=3 8504 B10R1.57 C=CCCCSC1COC1 62a_100011713584_100009818527 [0,0,0,1,0,0|3,0,0]=4 8505 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,0,0,1,0,0|2,0,0]=3 8506 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,0,0,1,0,0|2,0,0]=3 8507 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,0,0,1,0,0|2,0,0]=3 8508 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,0,0,1,0,0|2,0,0]=3 8509 B10R1.57 C=CCCNCC1CCO1 2230a_100015191253_100000103362 [0,0,0,1,0,0|3,0,0]=4 8510 B10R1.57 C=CCCNCC1COC1 2230a_100015191253_100010264016 [0,0,0,1,0,0|3,0,0]=4 8511 B10R1.57 C=CCCNCC1COC1 2230a_100015281925_100000754431 [0,0,0,1,0,0|3,0,0]=4 8512 B10R1.57 C=CCCNCC1COC1 34a_100015281925_100000754431 [0,0,0,1,0,0|3,0,0]=4 8513 B10R1.57 C=CCCNC[C@@H]1CCO1 2230a_100020831831_100000754431 [0,0,0,1,0,0|3,0,0]=4 8514 B10R1.57 C=CCCNC[C@@H]1CCO1 34a_100020831831_100000754431 [0,0,0,1,0,0|3,0,0]=4 8515 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,0,0,1,0,0|2,0,0]=3 8516 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,0,0,1,0,0|2,0,0]=3 8517 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,0,0,1,0,0|3,0,0]=4 8518 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,0,0,1,0,0|3,0,0]=4 8519 B10R1.57 C=CCCOCC1CNC1 34a_100016987283_100000754431 [0,0,0,1,0,0|3,0,0]=4 8520 B10R1.57 C=CCCOCC1COC1 34a_100000060846_100000754431 [0,0,0,1,0,0|3,0,0]=4 8521 B10R1.57 C=CCCOCC1COC1 34a_100011205117_100010264016 [0,0,0,1,0,0|3,0,0]=4 8522 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,0,0,1,0,0|2,0,0]=3 8523 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,0,0,1,0,0|2,0,0]=3 8524 B10R1.57 C=CCCSCC1CCO1 62a_100000103362_100000754431 [0,0,0,1,0,0|3,0,0]=4 8525 B10R1.57 C=CCCSCC1CCO1 62a_100000754431_100000103362 [0,0,0,1,0,0|3,0,0]=4 8526 B10R1.57 C=CCCSCC1COC1 62a_100000754431_100010264016 [0,0,0,1,0,0|3,0,0]=4 8527 B10R1.57 C=CCCSCC1COC1 62a_100010264016_100000754431 [0,0,0,1,0,0|3,0,0]=4 8528 B10R1.57 C=CCOCCC1COC1 34a_100009855314_100015514636 [0,0,0,1,0,0|3,0,0]=4 8529 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [0,0,0,1,0,0|3,0,0]=4 8530 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [0,0,0,1,0,0|3,0,0]=4 8531 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,0,0,1,0,0|3,0,0]=4 8532 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,0,0,1,0,0|3,0,0]=4 8533 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [0,0,0,1,0,0|3,0,0]=4 8534 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [0,0,0,1,0,0|2,0,1]=4 8535 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [0,0,0,1,0,0|2,0,1]=4 8536 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [0,0,0,1,0,0|2,0,1]=4 8537 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [0,0,0,1,0,0|2,0,1]=4 8538 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [0,0,0,1,0,0|2,0,1]=4 8539 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|2,0,1]=4 8540 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,0,0,1,0,0|2,0,1]=4 8541 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,0,0,1,0,0|2,0,1]=4 8542 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,0,0,1,0,0|2,0,1]=4 8543 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,0,0,1,0,0|3,0,0]=4 8544 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,0,1,0,0|2,0,1]=4 8545 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,0,1,0,0|2,0,1]=4 8546 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,0,0,1,0,0|3,0,0]=4 8547 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,0,0,1,0,0|3,0,0]=4 8548 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,0,0,1,0,0|3,0,0]=4 8549 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,0,0,1,0,0|2,0,1]=4 8550 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,0,0,1,0,0|3,0,0]=4 8551 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,0,0,1,0,0|2,0,1]=4 8552 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,0,0,1,0,0|2,0,1]=4 8553 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,0,0,1,0,0|2,0,1]=4 8554 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,0,0,1,0,0|2,0,1]=4 8555 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,0,0,1,0,0|2,0,1]=4 8556 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|1,0,2]=4 8557 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|1,0,2]=4 8558 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,0,0,1,0,0|3,0,0]=4 8559 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,0,0,1,0,0|3,0,0]=4 8560 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,0,0,1,0,0|3,0,0]=4 8561 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,0,0,1,0,0|3,0,0]=4 8562 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|1,0,2]=4 8563 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|1,0,2]=4 8564 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,0,0,1,0,0|2,0,1]=4 8565 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,0,0,1,0,0|2,0,1]=4 8566 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,0,0,1,0,0|2,0,1]=4 8567 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|1,0,2]=4 8568 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 8569 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 8570 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,0,0,1,0,0|3,0,0]=4 8571 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,0,0,1,0,0|3,0,0]=4 8572 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,0,0,1,0,0|3,0,0]=4 8573 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,0,0,1,0,0|3,0,0]=4 8574 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,0,0,1,0,0|2,0,1]=4 8575 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,0,0,1,0,0|2,0,1]=4 8576 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|1,0,2]=4 8577 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|1,0,2]=4 8578 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,0,0,1,0,0|3,0,0]=4 8579 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,0,0,1,0,0|3,0,0]=4 8580 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,0,0,1,0,0|3,0,0]=4 8581 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,0,0,1,0,0|3,0,0]=4 8582 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,0,0,1,0,0|3,0,0]=4 8583 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,0,0,1,0,0|3,0,0]=4 8584 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,0,0,1,0,0|3,0,0]=4 8585 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,0,0,1,0,0|3,0,0]=4 8586 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,0,0,1,0,0|3,0,0]=4 8587 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,0,0,1,0,0|3,0,0]=4 8588 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,0,0,1,0,0|3,0,0]=4 8589 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,0,0,1,0,0|3,0,0]=4 8590 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,0,0,1,0,0|3,0,0]=4 8591 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,0,0,1,0,0|3,0,0]=4 8592 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,0,0,1,0,0|3,0,0]=4 8593 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,0,0,1,0,0|3,0,0]=4 8594 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,0,0,1,0,0|3,0,0]=4 8595 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,0,0,1,0,0|3,0,0]=4 8596 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,0,0,1,0,0|3,0,0]=4 8597 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,0,0,1,0,0|3,0,0]=4 8598 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [0,0,0,1,0,0|3,0,0]=4 8599 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,0,0,1,0,0|3,0,0]=4 8600 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [0,0,0,1,0,0|3,0,0]=4 8601 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [0,0,0,1,0,0|3,0,0]=4 8602 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [0,0,0,1,0,0|3,0,0]=4 8603 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [0,0,0,1,0,0|3,0,0]=4 8604 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,0,0,1,0,0|3,0,0]=4 8605 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,0,0,1,0,0|3,0,0]=4 8606 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,0,0,1,0,0|3,0,0]=4 8607 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [0,0,0,1,0,0|3,0,0]=4 8608 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [0,0,0,1,0,0|3,0,0]=4 8609 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,0,0,1,0,0|2,0,1]=4 8610 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,0,0,1,0,0|2,0,1]=4 8611 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,0,0,1,0,0|2,0,1]=4 8612 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [0,0,0,1,0,0|2,0,1]=4 8613 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [0,0,0,1,0,0|2,0,1]=4 8614 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,0,0,1,0,0|2,0,1]=4 8615 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,0,0,1,0,0|2,0,1]=4 8616 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [0,0,0,1,0,0|2,0,1]=4 8617 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,0,0,1,0,0|2,0,1]=4 8618 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,0,0,1,0,0|2,0,1]=4 8619 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,0,0,1,0,0|2,0,1]=4 8620 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,0,0,1,0,0|2,0,1]=4 8621 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,0,0,1,0,0|2,0,1]=4 8622 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,0,0,1,0,0|2,0,1]=4 8623 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,0,0,1,0,0|2,0,1]=4 8624 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,0,0,1,0,0|2,0,1]=4 8625 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,0,0,1,0,0|2,0,1]=4 8626 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,0,0,1,0,0|2,0,1]=4 8627 B10R1.57 N#CCCCCN1CCC1 269982a_100000754969_100011219923 [0,0,0,1,0,0|2,0,1]=4 8628 B10R1.57 N#CCCCNC1CCC1 2230a_100000749019_100000687738 [0,0,0,1,0,0|2,0,1]=4 8629 B10R1.57 N#CCCCSC1CCC1 62a_100000687738_100000749161 [0,0,0,1,0,0|2,0,1]=4 8630 B10R1.57 N#CCCNCC1CCC1 2230a_100000738700_100011215226 [0,0,0,1,0,0|2,0,1]=4 8631 B10R1.57 N#CCCSCC1CCC1 62a_100000763275_100011215226 [0,0,0,1,0,0|2,0,1]=4 8632 B10R1.57 N#CCCSCC1CCC1 62a_100011215226_100000763275 [0,0,0,1,0,0|2,0,1]=4 8633 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|2,0,1]=4 8634 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,0,0,1,0,0|2,0,1]=4 8635 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,0,0,1,0,0|3,0,0]=4 8636 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,0,0,1,0,0|1,0,0]=2 8637 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,0,0,1,0,0|1,0,0]=2 8638 B10R1.57 O=CCCCNC1COC1 2230a_100016991112_200011292268 [0,0,0,1,0,0|2,0,0]=3 8639 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [0,0,0,1,0,0|2,0,0]=3 8640 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,0,0,1,0,0|1,0,0]=2 8641 B10R1.57 O=CCCCSC1COC1 62a_200011292268_100009818527 [0,0,0,1,0,0|2,0,0]=3 8642 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [0,0,0,1,0,0|2,0,0]=3 8643 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|1,0,2]=4 8644 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,0,0,1,0,0|1,0,2]=4 8645 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,0,0,1,0,0|1,0,2]=4 8646 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,0,0,1,0,0|1,0,2]=4 8647 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|1,0,2]=4 8648 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,0,0,1,0,0|1,0,2]=4 8649 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,0,0,1,0,0|1,0,2]=4 8650 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,0,0,1,0,0|1,0,2]=4 8651 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,0,0,1,0,0|1,0,2]=4 8652 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,0,0,1,0,0|1,0,2]=4 8653 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,0,0,1,0,0|1,0,2]=4 8654 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,0,0,1,0,0|1,0,2]=4 8655 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,0,0,1,0,0|1,0,2]=4 8656 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 8657 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 8658 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 8659 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 8660 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 8661 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 8662 B10R1.85 C#CCN1CCCCCC1 2230a_100000185865_100000038162 [0,0,0,1,0,0|2,0,1]=4 8663 B10R1.85 C#CCN1CCCCCC1 34a_100000185865_100000184674 [0,0,0,1,0,0|2,0,1]=4 8664 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,0,0,1,0,0|2,0,0]=3 8665 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,0,0,1,0,0|2,0,0]=3 8666 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,0,0,1,0,0|2,0,0]=3 8667 B10R1.85 C=CCN1CCCOCC1 2230a_100000685342_100000210623 [0,0,0,1,0,0|3,0,0]=4 8668 B10R1.85 C=CCN1CCCOCC1 269982a_100000685342_100000210623 [0,0,0,1,0,0|3,0,0]=4 8669 B10R1.85 C=CCN1CCCOCC1 34a_100000685342_100015514636 [0,0,0,1,0,0|3,0,0]=4 8670 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 8671 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 8672 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 8673 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,1,0,0|2,0,1]=4 8674 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,1,0,0|2,0,1]=4 8675 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,1,0,0|2,0,1]=4 8676 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,1,0,0|2,0,1]=4 8677 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,1,0,0|2,0,1]=4 8678 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,1,0,0|2,0,1]=4 8679 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,1,0,0|2,0,1]=4 8680 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,1,0,0|2,0,1]=4 8681 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,0,0,1,0,0|2,0,0]=3 8682 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,0,0,1,0,0|2,0,0]=3 8683 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,0,0,1,0,0|2,0,0]=3 8684 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,0,0,1,0,0|2,0,0]=3 8685 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,0,0,1,0,0|2,0,0]=3 8686 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,0,0,1,0,0|2,0,0]=3 8687 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,0,0,1,0,0|2,0,0]=3 8688 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,0,0,1,0,0|2,0,0]=3 8689 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,0,0,1,0,0|2,0,0]=3 8690 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,0,0,1,0,0|3,0,0]=4 8691 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,0,0,1,0,0|3,0,0]=4 8692 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,0,0,1,0,0|2,0,0]=3 8693 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,0,0,1,0,0|2,0,0]=3 8694 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 8695 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 8696 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 8697 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,0,0,1,0,0|2,0,1]=4 8698 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,0,0,1,0,0|2,0,1]=4 8699 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,0,0,1,0,0|2,0,1]=4 8700 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,0,0,1,0,0|2,0,1]=4 8701 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,1,0,0|2,0,1]=4 8702 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,1,0,0|2,0,1]=4 8703 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,0,0,1,0,0|2,0,1]=4 8704 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,0,0,1,0,0|2,0,1]=4 8705 B10R1.85 N#CCN1CCCCCC1 2230a_100000185865_100011215382 [0,0,0,1,0,0|2,0,1]=4 8706 B10R1.85 N#CCN1CCCCCC1 269982a_100000185865_100011214920 [0,0,0,1,0,0|2,0,1]=4 8707 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,0,1,0,0|1,0,0]=2 8708 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,0,1,0,0|1,0,0]=2 8709 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,0,1,0,0|1,0,0]=2 8710 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,0,0,1,0,0|2,0,0]=3 8711 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,0,0,1,0,0|2,0,0]=3 8712 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,0,0,1,0,0|2,0,0]=3 8713 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,0,0,1,0,0|1,0,2]=4 8714 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,0,0,1,0,0|1,0,2]=4 8715 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,0,0,1,0,0|1,0,2]=4 8716 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,0,0,1,0,0|2,0,0]=3 8717 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,0,0,1,0,0|2,0,0]=3 8718 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,0,0,1,0,0|2,0,0]=3 8719 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,0,0,1,0,0|2,0,0]=3 8720 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,0,0,1,0,0|2,0,0]=3 8721 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,0,0,1,0,0|2,0,0]=3 8722 B10R1.132 C=CCN1CCC1COC 2230a_100015195929_100000210623 [0,0,0,1,0,0|3,0,0]=4 8723 B10R1.132 C=CCN1CCC1COC 269982a_100015195929_100000210623 [0,0,0,1,0,0|3,0,0]=4 8724 B10R1.132 C=CCN1CCC1COC 34a_100015195929_100015514636 [0,0,0,1,0,0|3,0,0]=4 8725 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 8726 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 8727 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 8728 B10R1.132 COCC1CCN1CC=O 2230a_100015195929_200015260668 [0,0,0,1,0,0|2,0,0]=3 8729 B10R1.132 COCC1CCN1CC=O 269982a_100015195929_200015260668 [0,0,0,1,0,0|2,0,0]=3 8730 B10R1.132 COCC1CCN1CC=O 34a_100015195929_200009817547 [0,0,0,1,0,0|2,0,0]=3 8731 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|2,0,1]=4 8732 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|2,0,1]=4 8733 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|2,0,1]=4 8734 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,0,0,1,0,0|2,0,0]=3 8735 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,0,0,1,0,0|2,0,0]=3 8736 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,0,0,1,0,0|2,0,0]=3 8737 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,0,0,1,0,0|2,0,0]=3 8738 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,0,0,1,0,0|2,0,0]=3 8739 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,0,0,1,0,0|2,0,0]=3 8740 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,0,0,1,0,0|2,0,1]=4 8741 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,0,0,1,0,0|2,0,1]=4 8742 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,0,0,1,0,0|2,0,0]=3 8743 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,0,0,1,0,0|2,0,0]=3 8744 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,0,0,1,0,0|2,0,0]=3 8745 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,0,0,1,0,0|2,0,0]=3 8746 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,0,0,1,0,0|2,0,0]=3 8747 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,0,0,1,0,0|2,0,1]=4 8748 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,0,0,1,0,0|2,0,1]=4 8749 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,0,0,1,0,0|2,0,1]=4 8750 B10R1.177 C#CCCCCNC1CC1 34a_100000212008_100010269958 [0,0,0,1,0,0|2,0,1]=4 8751 B10R1.177 C#CCCCCNC1CC1 34a_100000706060_100000211595 [0,0,0,1,0,0|2,0,1]=4 8752 B10R1.177 C#CCCCCOC1CC1 34a_100000766709_100000211595 [0,0,0,1,0,0|2,0,1]=4 8753 B10R1.177 C#CCCCCSC1CC1 62a_100010269958_100000211595 [0,0,0,1,0,0|2,0,1]=4 8754 B10R1.177 C#CCCCNCC1CC1 2230a_100000735609_100000731252 [0,0,0,1,0,0|2,0,1]=4 8755 B10R1.177 C#CCCCNCC1CC1 34a_100000718082_100000742324 [0,0,0,1,0,0|2,0,1]=4 8756 B10R1.177 C#CCCCNCC1CC1 34a_100000735609_100000695029 [0,0,0,1,0,0|2,0,1]=4 8757 B10R1.177 C#CCCCOCC1CC1 34a_100000211283_100000695029 [0,0,0,1,0,0|2,0,1]=4 8758 B10R1.177 C#CCCCOCC1CC1 34a_100000215630_100000742324 [0,0,0,1,0,0|2,0,1]=4 8759 B10R1.177 C#CCCCOCC1CC1 7a_100000215630_100000742324 [0,0,0,1,0,0|2,0,1]=4 8760 B10R1.177 C#CCCCSCC1CC1 62a_100000756562_100011215417 [0,0,0,1,0,0|2,0,1]=4 8761 B10R1.177 C#CCCCSCC1CC1 62a_100011215417_100000742324 [0,0,0,1,0,0|2,0,1]=4 8762 B10R1.177 C#CCCNCCC1CC1 34a_100000755551_100000694398 [0,0,0,1,0,0|2,0,1]=4 8763 B10R1.177 C#CCCNCCC1CC1 34a_100000764129_100000688953 [0,0,0,1,0,0|2,0,1]=4 8764 B10R1.177 C#CCCOCCC1CC1 34a_100000754188_100000688953 [0,0,0,1,0,0|2,0,1]=4 8765 B10R1.177 C#CCCOCCC1CC1 34a_100011215631_100000694398 [0,0,0,1,0,0|2,0,1]=4 8766 B10R1.177 C#CCCOCCC1CC1 7a_100000754188_100000688953 [0,0,0,1,0,0|2,0,1]=4 8767 B10R1.177 C#CCCSCCC1CC1 62a_100000688953_100000764125 [0,0,0,1,0,0|2,0,1]=4 8768 B10R1.177 C#CCCSCCC1CC1 62a_100000764125_100000688953 [0,0,0,1,0,0|2,0,1]=4 8769 B10R1.177 C/C=C/CCOCC1CC1 34a_100016278192_100000742324 [0,0,0,1,0,0|2,0,1]=4 8770 B10R1.177 C/C=C/CNCCC1CC1 34a_100000764129_100102629194 [0,0,0,1,0,0|2,0,1]=4 8771 B10R1.177 C/C=C/COCCC1CC1 34a_100000754188_100102629194 [0,0,0,1,0,0|2,0,1]=4 8772 B10R1.177 C/C=C/COCCC1CC1 34a_100016270725_100000694398 [0,0,0,1,0,0|2,0,1]=4 8773 B10R1.177 C/C=C/COCCC1CC1 7a_100000754188_100102629194 [0,0,0,1,0,0|2,0,1]=4 8774 B10R1.177 C/C=C/CSCCC1CC1 62a_100000764125_100102629194 [0,0,0,1,0,0|2,0,1]=4 8775 B10R1.177 C/C=C/CSCCC1CC1 62a_100102629194_100000764125 [0,0,0,1,0,0|2,0,1]=4 8776 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,0,0,1,0,0|2,0,0]=3 8777 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,0,0,1,0,0|2,0,0]=3 8778 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,0,0,1,0,0|2,0,0]=3 8779 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,0,0,1,0,0|2,0,0]=3 8780 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,0,0,1,0,0|2,0,0]=3 8781 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,0,0,1,0,0|2,0,0]=3 8782 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,0,0,1,0,0|2,0,0]=3 8783 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,0,0,1,0,0|2,0,0]=3 8784 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,0,0,1,0,0|2,0,0]=3 8785 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,0,0,1,0,0|3,0,0]=4 8786 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,0,0,1,0,0|3,0,0]=4 8787 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,0,0,1,0,0|2,0,0]=3 8788 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,0,0,1,0,0|2,0,0]=3 8789 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,0,0,1,0,0|2,0,0]=3 8790 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,0,0,1,0,0|3,0,0]=4 8791 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,0,0,1,0,0|3,0,0]=4 8792 B10R1.177 C=CCCCOCC1CS1 7a_100000758997_100000031435 [0,0,0,1,0,0|3,0,0]=4 8793 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,0,0,1,0,0|3,0,0]=4 8794 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,0,0,1,0,0|3,0,0]=4 8795 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,0,0,1,0,0|2,0,0]=3 8796 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,0,0,1,0,0|2,0,0]=3 8797 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,0,0,1,0,0|3,0,0]=4 8798 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,0,0,1,0,0|3,0,0]=4 8799 B10R1.177 C=CCCCSCC1CS1 62a_100000031435_100000757094 [0,0,0,1,0,0|3,0,0]=4 8800 B10R1.177 C=CCCCSCC1CS1 62a_100011713584_100000031435 [0,0,0,1,0,0|3,0,0]=4 8801 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,0,0,1,0,0|3,0,0]=4 8802 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,0,0,1,0,0|3,0,0]=4 8803 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,0,0,1,0,0|2,0,0]=3 8804 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,0,0,1,0,0|2,0,0]=3 8805 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,0,0,1,0,0|3,0,0]=4 8806 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,0,0,1,0,0|2,0,0]=3 8807 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,0,0,1,0,0|2,0,0]=3 8808 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,0,0,1,0,0|2,0,0]=3 8809 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,0,0,1,0,0|3,0,0]=4 8810 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,0,0,1,0,0|3,0,0]=4 8811 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,0,0,1,0,0|2,0,0]=3 8812 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,0,0,1,0,0|2,0,0]=3 8813 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,0,0,1,0,0|3,0,0]=4 8814 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,0,0,1,0,0|3,0,0]=4 8815 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,0,0,1,0,0|3,0,0]=4 8816 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,0,0,1,0,0|3,0,0]=4 8817 B10R1.177 C=CCOCCNC1CC1 34a_100000738766_100015514636 [0,0,0,1,0,0|3,0,0]=4 8818 B10R1.177 C=CCOCCOC1CC1 34a_100000037705_100000211595 [0,0,0,1,0,0|3,0,0]=4 8819 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,0,0,1,0,0|3,0,0]=4 8820 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,0,0,1,0,0|3,0,0]=4 8821 B10R1.177 C=COCCCNC1CC1 34a_100000210767_100000211595 [0,0,0,1,0,0|3,0,0]=4 8822 B10R1.177 C=COCCNCC1CC1 2230a_100000735609_100000039644 [0,0,0,1,0,0|3,0,0]=4 8823 B10R1.177 C=COCCNCC1CC1 34a_100000735609_100000039644 [0,0,0,1,0,0|3,0,0]=4 8824 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,0,0,1,0,0|3,0,0]=4 8825 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,0,0,1,0,0|3,0,0]=4 8826 B10R1.177 C=COCCSCC1CC1 62a_100000039644_100000742324 [0,0,0,1,0,0|3,0,0]=4 8827 B10R1.177 C=COCCSCC1CC1 62a_100000756562_100000039644 [0,0,0,1,0,0|3,0,0]=4 8828 B10R1.177 CC=CCCCOC1CC1 34a_100020645299_100000211595 [0,0,0,1,0,0|2,0,1]=4 8829 B10R1.177 CC=CCNCCC1CC1 34a_100000764129_100000070051 [0,0,0,1,0,0|2,0,1]=4 8830 B10R1.177 CC=CCOCCC1CC1 34a_100000754188_100000070051 [0,0,0,1,0,0|2,0,1]=4 8831 B10R1.177 CC=CCOCCC1CC1 7a_100000754188_100000070051 [0,0,0,1,0,0|2,0,1]=4 8832 B10R1.177 CC=CCSCCC1CC1 62a_100000070051_100000764125 [0,0,0,1,0,0|2,0,1]=4 8833 B10R1.177 CC=CCSCCC1CC1 62a_100000764125_100000070051 [0,0,0,1,0,0|2,0,1]=4 8834 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,0,0,1,0,0|2,0,1]=4 8835 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|2,0,1]=4 8836 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,0,0,1,0,0|2,0,1]=4 8837 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,0,0,1,0,0|2,0,1]=4 8838 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,0,0,1,0,0|2,0,1]=4 8839 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,0,0,1,0,0|2,0,1]=4 8840 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,0,0,1,0,0|2,0,1]=4 8841 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|1,0,2]=4 8842 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,0,0,1,0,0|2,0,1]=4 8843 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,0,0,1,0,0|2,0,1]=4 8844 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,0,0,1,0,0|2,0,1]=4 8845 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|1,0,2]=4 8846 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|1,0,2]=4 8847 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,0,0,1,0,0|1,1,1]=4 8848 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|1,0,2]=4 8849 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|1,0,2]=4 8850 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,0,0,1,0,0|2,0,1]=4 8851 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,0,0,1,0,0|2,0,1]=4 8852 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|1,0,2]=4 8853 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|1,0,2]=4 8854 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,0,0,1,0,0|1,1,1]=4 8855 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,0,0,1,0,0|1,1,1]=4 8856 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|1,0,2]=4 8857 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|1,0,2]=4 8858 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,0,0,1,0,0|2,0,1]=4 8859 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,0,0,1,0,0|2,0,1]=4 8860 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,0,0,1,0,0|2,0,1]=4 8861 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|1,0,2]=4 8862 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|1,0,2]=4 8863 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,0,0,1,0,0|2,0,1]=4 8864 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,0,0,1,0,0|2,0,1]=4 8865 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,0,0,1,0,0|2,0,1]=4 8866 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,0,0,1,0,0|2,0,1]=4 8867 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|1,0,2]=4 8868 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|1,0,2]=4 8869 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|1,0,2]=4 8870 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,0,0,1,0,0|2,0,1]=4 8871 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,0,0,1,0,0|2,0,1]=4 8872 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|1,0,2]=4 8873 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|1,0,2]=4 8874 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|1,0,2]=4 8875 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|1,0,2]=4 8876 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|1,0,2]=4 8877 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,0,0,1,0,0|3,0,0]=4 8878 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,0,0,1,0,0|3,0,0]=4 8879 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,0,0,1,0,0|3,0,0]=4 8880 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,0,0,1,0,0|3,0,0]=4 8881 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,0,0,1,0,0|3,0,0]=4 8882 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,0,0,1,0,0|3,0,0]=4 8883 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,0,0,1,0,0|3,0,0]=4 8884 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,0,0,1,0,0|3,0,0]=4 8885 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,0,0,1,0,0|3,0,0]=4 8886 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,0,0,1,0,0|3,0,0]=4 8887 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,0,0,1,0,0|3,0,0]=4 8888 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,0,0,1,0,0|3,0,0]=4 8889 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,0,0,1,0,0|3,0,0]=4 8890 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,0,0,1,0,0|3,0,0]=4 8891 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,0,0,1,0,0|3,0,0]=4 8892 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,0,0,1,0,0|3,0,0]=4 8893 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,0,0,1,0,0|3,0,0]=4 8894 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,0,0,1,0,0|3,0,0]=4 8895 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,0,0,1,0,0|3,0,0]=4 8896 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,0,0,1,0,0|3,0,0]=4 8897 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,0,0,1,0,0|3,0,0]=4 8898 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,0,0,1,0,0|3,0,0]=4 8899 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,0,0,1,0,0|3,0,0]=4 8900 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,0,0,1,0,0|3,0,0]=4 8901 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,0,0,1,0,0|3,0,0]=4 8902 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,0,0,1,0,0|3,0,0]=4 8903 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,0,0,1,0,0|3,0,0]=4 8904 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,0,0,1,0,0|3,0,0]=4 8905 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,0,0,1,0,0|3,0,0]=4 8906 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,0,0,1,0,0|3,0,0]=4 8907 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,0,0,1,0,0|3,0,0]=4 8908 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,0,0,1,0,0|3,0,0]=4 8909 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,0,0,1,0,0|2,0,1]=4 8910 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,0,0,1,0,0|2,0,1]=4 8911 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,0,0,1,0,0|2,0,1]=4 8912 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,0,0,1,0,0|2,0,1]=4 8913 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,0,0,1,0,0|2,0,1]=4 8914 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,0,0,1,0,0|2,0,1]=4 8915 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,0,0,1,0,0|2,0,1]=4 8916 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,0,0,1,0,0|2,0,1]=4 8917 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,0,0,1,0,0|2,0,1]=4 8918 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,0,0,1,0,0|2,0,1]=4 8919 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,0,0,1,0,0|2,0,1]=4 8920 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,0,0,1,0,0|2,0,1]=4 8921 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,0,0,1,0,0|2,0,1]=4 8922 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,0,0,1,0,0|2,0,1]=4 8923 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,0,0,1,0,0|2,0,1]=4 8924 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,0,0,1,0,0|2,0,1]=4 8925 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,0,0,1,0,0|2,0,1]=4 8926 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,0,0,1,0,0|2,0,1]=4 8927 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,0,0,1,0,0|2,0,1]=4 8928 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,0,0,1,0,0|2,0,1]=4 8929 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,0,0,1,0,0|2,0,1]=4 8930 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,0,0,1,0,0|2,0,1]=4 8931 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,0,0,1,0,0|2,0,1]=4 8932 B10R1.177 N#CCCCCSC1CC1 62a_100011219923_100000211595 [0,0,0,1,0,0|2,0,1]=4 8933 B10R1.177 N#CCCCNCC1CC1 2230a_100000735609_100000687738 [0,0,0,1,0,0|2,0,1]=4 8934 B10R1.177 N#CCCCSCC1CC1 62a_100000687738_100000742324 [0,0,0,1,0,0|2,0,1]=4 8935 B10R1.177 N#CCCCSCC1CC1 62a_100000756562_100000687738 [0,0,0,1,0,0|2,0,1]=4 8936 B10R1.177 N#CCCOCCC1CC1 7a_100000754188_100000184422 [0,0,0,1,0,0|2,0,1]=4 8937 B10R1.177 N#CCCSCCC1CC1 62a_100000764125_100011215226 [0,0,0,1,0,0|2,0,1]=4 8938 B10R1.177 N#CCCSCCC1CC1 62a_100011215226_100000764125 [0,0,0,1,0,0|2,0,1]=4 8939 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|2,0,1]=4 8940 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|2,0,1]=4 8941 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,0,0,1,0,0|2,0,1]=4 8942 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,0,0,1,0,0|3,0,0]=4 8943 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,0,0,1,0,0|1,0,0]=2 8944 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,0,0,1,0,0|1,0,0]=2 8945 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,0,0,1,0,0|1,0,0]=2 8946 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,0,0,1,0,0|1,0,0]=2 8947 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,0,0,1,0,0|2,0,0]=3 8948 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,0,0,1,0,0|2,0,0]=3 8949 B10R1.177 O=CCCCSCC1CS1 62a_100000031435_200011292268 [0,0,0,1,0,0|2,0,0]=3 8950 B10R1.177 O=CCCCSCC1CS1 62a_200011292268_100000031435 [0,0,0,1,0,0|2,0,0]=3 8951 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,0,0,1,0,0|2,0,0]=3 8952 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,0,0,1,0,0|2,0,0]=3 8953 B10R1.177 O=CCOCC#CC1CC1 34a_100000083941_200009817547 [0,0,0,1,0,0|1,0,2]=4 8954 B10R1.177 O=CCOCC#CC1CC1 7a_100000083941_200015260668 [0,0,0,1,0,0|1,0,2]=4 8955 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [0,0,0,1,0,0|2,0,0]=3 8956 B10R1.177 O=CCSCC#CC1CC1 62a_100009895102_200015260668 [0,0,0,1,0,0|1,0,2]=4 8957 B10R1.177 O=CCSCC#CC1CC1 62a_200015260668_100009895102 [0,0,0,1,0,0|1,0,2]=4 8958 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,0,0,1,0,0|2,0,0]=3 8959 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,0,0,1,0,0|2,0,0]=3 8960 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|1,0,2]=4 8961 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|1,0,2]=4 8962 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|1,0,2]=4 8963 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,0,0,1,0,0|1,0,2]=4 8964 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,0,0,1,0,0|1,0,2]=4 8965 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,0,0,1,0,0|1,0,2]=4 8966 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,0,0,1,0,0|1,0,2]=4 8967 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|1,0,2]=4 8968 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,0,0,1,0,0|1,0,2]=4 8969 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,0,0,1,0,0|1,0,2]=4 8970 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,0,0,1,0,0|1,0,2]=4 8971 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,0,0,1,0,0|1,0,2]=4 8972 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,0,0,1,0,0|1,0,2]=4 8973 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,0,0,1,0,0|1,0,2]=4 8974 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,0,0,1,0,0|1,0,2]=4 8975 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,0,0,1,0,0|1,0,2]=4 8976 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 8977 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 8978 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 8979 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,1]=4 8980 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 8981 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 8982 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 8983 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 8984 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,1]=4 8985 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 8986 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 8987 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 8988 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|1,0,1]=4 8989 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|1,0,1]=4 8990 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|1,0,1]=4 8991 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|1,0,1]=4 8992 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 8993 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,1]=4 8994 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 8995 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 8996 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 8997 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 8998 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,1]=4 8999 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,1]=4 9000 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,1]=4 9001 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,1]=4 9002 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,1]=4 9003 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,1]=4 9004 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,1]=4 9005 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,1]=4 9006 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,1]=4 9007 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,1]=4 9008 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 9009 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 9010 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 9011 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 9012 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 9013 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,0]=3 9014 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 9015 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,0]=3 9016 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 9017 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,0]=3 9018 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 9019 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,0]=3 9020 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 9021 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 9022 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 9023 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,0]=3 9024 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,0]=3 9025 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,0]=3 9026 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,0]=3 9027 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 9028 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 9029 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 9030 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 9031 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 9032 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 9033 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 9034 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 9035 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 9036 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 9037 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 9038 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,0]=3 9039 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,0]=3 9040 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 9041 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 9042 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 9043 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 9044 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 9045 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,1]=4 9046 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,1]=4 9047 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,1]=4 9048 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,1]=4 9049 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 9050 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 9051 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,0]=3 9052 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,0]=3 9053 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 9054 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 9055 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 9056 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 9057 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 9058 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 9059 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 9060 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 9061 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 9062 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 9063 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 9064 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 9065 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 9066 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 9067 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 9068 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 9069 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 9070 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,0]=3 9071 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,0]=3 9072 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,0]=3 9073 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,0]=3 9074 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 9075 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 9076 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,1]=4 9077 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,1]=4 9078 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|2,0,0]=4 9079 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|2,0,0]=4 9080 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|2,0,0]=4 9081 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|2,0,0]=4 9082 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 9083 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 9084 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 9085 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 9086 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 9087 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 9088 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 9089 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 9090 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 9091 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,1]=4 9092 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 9093 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 9094 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 9095 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 9096 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 9097 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 9098 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 9099 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|2,0,0]=4 9100 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|2,0,0]=4 9101 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 9102 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|2,0,0]=4 9103 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 9104 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 9105 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 9106 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|2,0,0]=4 9107 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 9108 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|2,0,0]=4 9109 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|2,0,0]=4 9110 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 9111 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|2,0,0]=4 9112 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|2,0,0]=4 9113 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 9114 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 9115 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,1]=4 9116 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,1]=4 9117 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|2,0,0]=4 9118 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|2,0,0]=4 9119 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 9120 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|2,0,0]=4 9121 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|2,0,0]=4 9122 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 9123 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 9124 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 9125 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|2,0,0]=4 9126 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|2,0,0]=4 9127 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 9128 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 9129 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,0]=3 9130 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 9131 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 9132 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,1]=4 9133 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 9134 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 9135 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 9136 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 9137 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 9138 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 9139 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 9140 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 9141 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 9142 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 9143 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 9144 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 9145 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 9146 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 9147 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 9148 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 9149 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 9150 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 9151 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 9152 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 9153 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 9154 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 9155 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 9156 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 9157 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 9158 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 9159 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 9160 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 9161 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 9162 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 9163 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 9164 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 9165 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 9166 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 9167 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 9168 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 9169 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 9170 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 9171 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 9172 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 9173 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 9174 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 9175 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 9176 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 9177 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 9178 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 9179 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 9180 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 9181 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 9182 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,0]=3 9183 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,0]=3 9184 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 9185 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 9186 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,1]=4 9187 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 9188 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 9189 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 9190 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 9191 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 9192 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 9193 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 9194 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 9195 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 9196 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 9197 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 9198 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 9199 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 9200 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 9201 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 9202 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,1]=4 9203 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 9204 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,1]=4 9205 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,1]=4 9206 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 9207 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|2,0,0]=4 9208 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 9209 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 9210 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 9211 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9212 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9213 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 9214 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9215 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9216 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 9217 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,1]=4 9218 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|2,0,0]=4 9219 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|2,0,0]=4 9220 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|2,0,0]=4 9221 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 9222 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|2,0,0]=4 9223 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|2,0,0]=4 9224 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 9225 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|2,0,0]=4 9226 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|2,0,0]=4 9227 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|2,0,0]=4 9228 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|2,0,0]=4 9229 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|2,0,0]=4 9230 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|2,0,0]=4 9231 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,0]=3 9232 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,0]=3 9233 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 9234 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 9235 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,1]=4 9236 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,1]=4 9237 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 9238 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 9239 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [2,0,0,0,0,0|2,0,0]=4 9240 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [2,0,0,0,0,0|2,0,0]=4 9241 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [2,0,0,0,0,0|2,0,0]=4 9242 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [2,0,0,0,0,0|2,0,0]=4 9243 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [2,0,0,0,0,0|2,0,0]=4 9244 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 9245 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 9246 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 9247 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 9248 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 9249 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 9250 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 9251 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 9252 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 9253 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 9254 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 9255 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 9256 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 9257 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 9258 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 9259 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 9260 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9261 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9262 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9263 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9264 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 9265 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,0]=3 9266 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,0]=3 9267 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 9268 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 9269 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,1]=4 9270 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,1]=4 9271 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,1,0,0,0,0|0,0,2]=4 9272 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,1,0,0,0,0|0,0,2]=4 9273 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,1,0,0,0,0|0,0,2]=4 9274 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,1,0,0,0,0|1,0,1]=4 9275 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,1,0,0,0,0|1,0,1]=4 9276 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,1,0,0,0,0|1,0,1]=4 9277 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,1,0,0,0,0|1,0,1]=4 9278 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,1,0,0,0,0|1,0,1]=4 9279 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,1,0,0,0,0|1,0,1]=4 9280 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,1,0,0,0,0|1,0,1]=4 9281 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,1,0,0,0,0|1,0,1]=4 9282 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,1,0,0,0,0|1,0,1]=4 9283 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,1,0,0,0,0|1,0,1]=4 9284 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,1,0,0,0,0|1,0,1]=4 9285 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,1,0,0,0,0|1,0,1]=4 9286 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,1,0,0,0,0|1,0,1]=4 9287 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,1,0,0,0,0|1,0,1]=4 9288 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,1,0,0,0,0|1,0,1]=4 9289 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,1,0,0,0,0|1,0,1]=4 9290 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,1,0,0,0,0|1,0,1]=4 9291 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,1,0,0,0,0|1,0,1]=4 9292 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,1,0,0,0,0|1,0,1]=4 9293 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,1,0,0,0,0|1,0,1]=4 9294 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,1,0,0,0,0|1,0,1]=4 9295 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,1,0,0,0,0|1,0,1]=4 9296 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|0,0,2]=4 9297 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|0,0,2]=4 9298 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|0,0,2]=4 9299 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [1,1,0,0,0,0|1,0,1]=4 9300 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [1,1,0,0,0,0|1,0,1]=4 9301 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [1,1,0,0,0,0|1,0,1]=4 9302 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [1,1,0,0,0,0|1,0,1]=4 9303 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [1,1,0,0,0,0|1,0,1]=4 9304 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [1,1,0,0,0,0|1,0,1]=4 9305 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [1,1,0,0,0,0|1,0,1]=4 9306 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [1,1,0,0,0,0|1,0,1]=4 9307 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [1,1,0,0,0,0|1,0,1]=4 9308 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [1,1,0,0,0,0|1,0,1]=4 9309 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [1,1,0,0,0,0|1,0,1]=4 9310 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [1,1,0,0,0,0|1,0,1]=4 9311 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [1,1,0,0,0,0|1,0,1]=4 9312 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [1,1,0,0,0,0|1,0,1]=4 9313 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [1,1,0,0,0,0|1,0,1]=4 9314 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [1,1,0,0,0,0|1,0,1]=4 9315 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [1,1,0,0,0,0|1,0,1]=4 9316 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [1,1,0,0,0,0|1,0,1]=4 9317 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [1,1,0,0,0,0|1,0,1]=4 9318 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [1,1,0,0,0,0|1,0,1]=4 9319 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [1,1,0,0,0,0|1,0,1]=4 9320 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [1,1,0,0,0,0|1,0,1]=4 9321 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [1,1,0,0,0,0|1,0,1]=4 9322 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [1,1,0,0,0,0|1,0,1]=4 9323 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [1,1,0,0,0,0|1,0,1]=4 9324 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [1,1,0,0,0,0|1,0,1]=4 9325 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [1,1,0,0,0,0|1,0,1]=4 9326 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,1,0,0,0,0|1,0,1]=4 9327 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,1,0,0,0,0|1,0,1]=4 9328 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [1,1,0,0,0,0|1,0,1]=4 9329 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [1,1,0,0,0,0|1,0,1]=4 9330 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,1,0,0,0,0|1,0,1]=4 9331 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,1,0,0,0,0|1,0,1]=4 9332 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [1,1,0,0,0,0|1,0,1]=4 9333 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [1,1,0,0,0,0|1,0,1]=4 9334 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [1,1,0,0,0,0|1,0,1]=4 9335 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [1,1,0,0,0,0|1,0,1]=4 9336 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [1,1,0,0,0,0|1,0,1]=4 9337 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [1,1,0,0,0,0|1,0,1]=4 9338 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [1,1,0,0,0,0|1,0,1]=4 9339 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [1,1,0,0,0,0|1,0,1]=4 9340 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [1,1,0,0,0,0|1,0,1]=4 9341 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [1,1,0,0,0,0|1,0,1]=4 9342 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [1,1,0,0,0,0|1,0,1]=4 9343 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,1,0,0,0,0|1,0,1]=4 9344 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,1,0,0,0,0|1,0,1]=4 9345 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,1,0,0,0,0|1,0,1]=4 9346 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [1,1,0,0,0,0|1,0,1]=4 9347 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [1,1,0,0,0,0|1,0,1]=4 9348 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [1,1,0,0,0,0|1,0,1]=4 9349 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [1,1,0,0,0,0|1,0,1]=4 9350 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [1,1,0,0,0,0|1,0,1]=4 9351 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [1,1,0,0,0,0|1,0,1]=4 9352 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [1,1,0,0,0,0|1,0,1]=4 9353 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [1,1,0,0,0,0|1,0,1]=4 9354 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [1,1,0,0,0,0|1,0,1]=4 9355 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [1,1,0,0,0,0|1,0,1]=4 9356 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [1,1,0,0,0,0|1,0,1]=4 9357 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [1,1,0,0,0,0|1,0,1]=4 9358 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [1,1,0,0,0,0|1,0,1]=4 9359 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [1,1,0,0,0,0|1,0,1]=4 9360 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [1,1,0,0,0,0|1,0,1]=4 9361 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [1,1,0,0,0,0|1,0,1]=4 9362 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [1,1,0,0,0,0|1,0,1]=4 9363 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [1,1,0,0,0,0|1,0,1]=4 9364 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,1,0,0,0,0|1,0,1]=4 9365 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,0]=3 9366 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,0]=3 9367 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,0]=3 9368 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,1,0,0,0,0|2,0,0]=4 9369 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,1,0,0,0,0|2,0,0]=4 9370 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,1,0,0,0,0|2,0,0]=4 9371 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|2,0,0]=4 9372 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|1,0,1]=4 9373 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|1,0,1]=4 9374 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|2,0,0]=4 9375 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 9376 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 9377 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|2,0,0]=4 9378 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 9379 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 9380 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|1,0,1]=4 9381 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|1,0,1]=4 9382 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|2,0,0]=4 9383 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|2,0,0]=4 9384 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|2,0,0]=4 9385 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|2,0,0]=4 9386 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 9387 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 9388 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|2,0,0]=4 9389 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|2,0,0]=4 9390 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 9391 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 9392 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|2,0,0]=4 9393 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|2,0,0]=4 9394 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,1,0,0,0,0|2,0,0]=4 9395 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|2,0,0]=4 9396 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|2,0,0]=4 9397 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,1,0,0,0,0|2,0,0]=4 9398 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,1,0,0,0,0|2,0,0]=4 9399 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 9400 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 9401 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,1,0,0,0,0|2,0,0]=4 9402 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,1,0,0,0,0|2,0,0]=4 9403 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,1,0,0,0,0|2,0,0]=4 9404 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,1,0,0,0,0|2,0,0]=4 9405 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,1,0,0,0,0|2,0,0]=4 9406 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,1]=4 9407 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 9408 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,1]=4 9409 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 9410 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 9411 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 9412 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 9413 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,1]=4 9414 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,1]=4 9415 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 9416 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 9417 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,1,0,0,0,0|2,0,0]=4 9418 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,1,0,0,0,0|2,0,0]=4 9419 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [1,1,0,0,0,0|1,0,0]=3 9420 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [1,1,0,0,0,0|1,0,0]=3 9421 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 9422 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|2,0,0]=4 9423 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 9424 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|1,0,1]=4 9425 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|1,0,1]=4 9426 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|1,0,1]=4 9427 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|1,0,1]=4 9428 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,1,0,0,0,0|1,0,0]=3 9429 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,1,0,0,0,0|1,0,0]=3 9430 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|2,0,0]=4 9431 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 9432 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 9433 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|2,0,0]=4 9434 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,1]=4 9435 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,1]=4 9436 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [1,1,0,0,0,0|1,0,0]=3 9437 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [1,1,0,0,0,0|1,0,0]=3 9438 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|2,0,0]=4 9439 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|2,0,0]=4 9440 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,0,1]=4 9441 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,0,1]=4 9442 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 9443 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,1,0,0,0,0|2,0,0]=4 9444 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 9445 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|1,0,1]=4 9446 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,1,0,0,0,0|2,0,0]=4 9447 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,1,0,0,0,0|2,0,0]=4 9448 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 9449 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,1,0,0,0,0|2,0,0]=4 9450 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 9451 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,1,0,0,0,0|2,0,0]=4 9452 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|1,0,1]=4 9453 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|1,0,1]=4 9454 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,1,0,0,0,0|2,0,0]=4 9455 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,1,0,0,0,0|2,0,0]=4 9456 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|1,0,1]=4 9457 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|1,0,1]=4 9458 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [1,1,0,0,0,0|1,0,0]=3 9459 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 9460 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 9461 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|1,0,1]=4 9462 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|1,0,1]=4 9463 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|1,0,1]=4 9464 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|1,0,1]=4 9465 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,1]=4 9466 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,1,0,0,0,0|2,0,0]=4 9467 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,1,0,0,0,0|2,0,0]=4 9468 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,1,0,0,0,0|2,0,0]=4 9469 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,1,0,0,0,0|2,0,0]=4 9470 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,1,0,0,0,0|2,0,0]=4 9471 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,1,0,0,0,0|2,0,0]=4 9472 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,1,0,0,0,0|2,0,0]=4 9473 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,1,0,0,0,0|2,0,0]=4 9474 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,1]=4 9475 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [1,1,0,0,0,0|1,0,0]=3 9476 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [1,1,0,0,0,0|1,0,0]=3 9477 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,1,0,0,0,0|2,0,0]=4 9478 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,1,0,0,0,0|2,0,0]=4 9479 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,0,1]=4 9480 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,0,1]=4 9481 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,1,0,0,0,0|1,0,0]=3 9482 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 9483 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 9484 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|1,0,1]=4 9485 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|1,0,1]=4 9486 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|1,0,1]=4 9487 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|1,0,1]=4 9488 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [1,1,0,0,0,0|2,0,0]=4 9489 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 9490 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 9491 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 9492 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 9493 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 9494 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 9495 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 9496 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 9497 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,1]=4 9498 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [1,1,0,0,0,0|2,0,0]=4 9499 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [1,1,0,0,0,0|2,0,0]=4 9500 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [1,1,0,0,0,0|2,0,0]=4 9501 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [1,1,0,0,0,0|2,0,0]=4 9502 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [1,1,0,0,0,0|2,0,0]=4 9503 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [1,1,0,0,0,0|2,0,0]=4 9504 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [1,1,0,0,0,0|1,0,0]=3 9505 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [1,1,0,0,0,0|1,0,0]=3 9506 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,1,0,0,0,0|2,0,0]=4 9507 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,1,0,0,0,0|2,0,0]=4 9508 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|1,0,1]=4 9509 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|1,0,1]=4 9510 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [1,1,0,0,0,0|2,0,0]=4 9511 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [1,1,0,0,0,0|2,0,0]=4 9512 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [1,1,0,0,0,0|2,0,0]=4 9513 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [1,1,0,0,0,0|2,0,0]=4 9514 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [1,1,0,0,0,0|2,0,0]=4 9515 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [1,1,0,0,0,0|2,0,0]=4 9516 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,1,0,0,0,0|2,0,0]=4 9517 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,1]=4 9518 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,1,0,0,0,0|2,0,0]=4 9519 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,1]=4 9520 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,1]=4 9521 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|2,0,0]=4 9522 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|2,0,0]=4 9523 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,1,0,0,0,0|1,0,0]=3 9524 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,1,0,0,0,0|1,0,0]=3 9525 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,1,0,0,0,0|2,0,0]=4 9526 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 9527 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,0,1]=4 9528 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,0,1]=4 9529 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 9530 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,1,0,0,0,0|2,0,0]=4 9531 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 9532 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|1,0,1]=4 9533 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,1,0,0,0,0|2,0,0]=4 9534 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,1,0,0,0,0|2,0,0]=4 9535 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,1,0,0,0,0|2,0,0]=4 9536 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|2,0,0]=4 9537 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,1,0,0,0,0|2,0,0]=4 9538 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,1,0,0,0,0|2,0,0]=4 9539 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,0,1]=4 9540 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,0,1]=4 9541 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,1,0,0,0,0|1,0,0]=3 9542 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 9543 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 9544 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,1]=4 9545 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 9546 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,1]=4 9547 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 9548 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|2,0,0]=4 9549 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 9550 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 9551 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 9552 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 9553 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|2,0,0]=4 9554 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|2,0,0]=4 9555 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,1,0,0,0,0|1,0,0]=3 9556 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,1,0,0,0,0|1,0,0]=3 9557 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|2,0,0]=4 9558 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|2,0,0]=4 9559 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,0,1]=4 9560 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,0,1]=4 9561 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,1,0,0,0,0|0,0,2]=4 9562 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,1,0,0,0,0|0,0,2]=4 9563 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,1,0,0,0,0|0,0,2]=4 9564 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,1,0,0,0,0|0,0,2]=4 9565 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|0,0,2]=4 9566 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|0,0,2]=4 9567 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,0]=2 9568 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,0]=2 9569 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,0]=2 9570 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,1,0,0,0,0|1,0,1]=4 9571 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,1,0,0,0,0|1,0,1]=4 9572 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,1,0,0,0,0|1,0,1]=4 9573 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,1,0,0,0,0|1,0,1]=4 9574 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,1,0,0,0,0|1,0,1]=4 9575 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,1,0,0,0,0|1,0,1]=4 9576 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,0]=3 9577 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,0]=3 9578 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,0]=3 9579 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,0]=3 9580 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 9581 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 9582 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 9583 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 9584 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,1]=4 9585 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 9586 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,1]=4 9587 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,1]=4 9588 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,1,0,0,0,0|1,0,0]=3 9589 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,1,0,0,0,0|1,0,0]=3 9590 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,0]=3 9591 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,1]=4 9592 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,1]=4 9593 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,1]=4 9594 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,1]=4 9595 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,1]=4 9596 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,1]=4 9597 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,1]=4 9598 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,1,0,0,0,0|2,0,0]=4 9599 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,1,0,0,0,0|2,0,0]=4 9600 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,1]=4 9601 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,1,0,0,0,0|2,0,0]=4 9602 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|1,0,0]=3 9603 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|1,0,0]=3 9604 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|1,0,0]=3 9605 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|1,0,0]=3 9606 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|1,0,1]=4 9607 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 9608 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 9609 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 9610 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|1,0,1]=4 9611 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 9612 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 9613 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 9614 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,1,0,0,0,0|2,0,0]=4 9615 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 9616 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|1,0,1]=4 9617 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|1,0,1]=4 9618 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 9619 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 9620 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,1,0,0,0,0|2,0,0]=4 9621 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,1,0,0,0,0|1,0,0]=3 9622 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,1,0,0,0,0|1,0,0]=3 9623 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,1,0,0,0,0|1,0,0]=3 9624 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,1,0,0,0,0|1,0,0]=3 9625 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,1]=4 9626 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,1]=4 9627 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,1]=4 9628 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,1]=4 9629 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,1,0,0,0,0|2,0,0]=4 9630 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,1,0,0,0,0|2,0,0]=4 9631 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,1]=4 9632 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,1]=4 9633 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,1,0,0,0,0|2,0,0]=4 9634 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,0]=3 9635 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,1,0,0,0,0|1,0,0]=3 9636 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,1,0,0,0,0|1,0,0]=3 9637 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|1,0,1]=4 9638 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|1,0,1]=4 9639 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|1,0,1]=4 9640 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,1]=4 9641 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,1]=4 9642 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,1]=4 9643 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,1,0,0,0,0|2,0,0]=4 9644 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|1,0,0]=3 9645 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|1,0,0]=3 9646 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|1,0,0]=3 9647 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|1,0,0]=3 9648 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|1,0,0]=3 9649 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|1,0,0]=3 9650 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|1,0,0]=3 9651 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|1,0,0]=3 9652 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 9653 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|1,0,1]=4 9654 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|1,0,1]=4 9655 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|1,0,1]=4 9656 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|1,0,1]=4 9657 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 9658 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 9659 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,1,0,0,0,0|2,0,0]=4 9660 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 9661 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,1,0,0,0,0|2,0,0]=4 9662 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|1,0,0]=3 9663 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|1,0,0]=3 9664 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|1,0,0]=3 9665 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|1,0,0]=3 9666 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|1,0,1]=4 9667 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|1,0,1]=4 9668 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,1]=4 9669 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 9670 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,1,0,0,0,0|2,0,0]=4 9671 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,1,0,0,0,0|2,0,0]=4 9672 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,1,0,0,0,0|1,0,0]=3 9673 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 9674 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 9675 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,1,0,0,0,0|2,0,0]=4 9676 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,1,0,0,0,0|2,0,0]=4 9677 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,1,0,0,0,0|2,0,0]=4 9678 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|1,0,0]=3 9679 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|1,0,0]=3 9680 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|1,0,0]=3 9681 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|1,0,0]=3 9682 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|1,0,1]=4 9683 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 9684 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 9685 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 9686 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,1,0,0,0,0|2,0,0]=4 9687 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,1,0,0,0,0|2,0,0]=4 9688 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,1,0,0,0,0|2,0,0]=4 9689 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,1,0,0,0,0|2,0,0]=4 9690 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,1,0,0,0,0|2,0,0]=4 9691 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,1,0,0,0,0|2,0,0]=4 9692 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,1,0,0,0,0|2,0,0]=4 9693 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,1,0,0,0,0|2,0,0]=4 9694 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,1,0,0,0,0|2,0,0]=4 9695 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|1,0,0]=3 9696 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|1,0,0]=3 9697 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|1,0,0]=3 9698 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|1,0,0]=3 9699 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|1,0,1]=4 9700 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|1,0,1]=4 9701 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,1]=4 9702 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,1]=4 9703 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 9704 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 9705 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,1,0,0,0,0|2,0,0]=4 9706 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,1,0,0,0,0|2,0,0]=4 9707 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,1,0,0,0,0|2,0,0]=4 9708 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,1,0,0,0,0|2,0,0]=4 9709 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,1,0,0,0,0|2,0,0]=4 9710 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,1,0,0,0,0|2,0,0]=4 9711 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,1,0,0,0,0|2,0,0]=4 9712 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,1,0,0,0,0|2,0,0]=4 9713 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,1,0,0,0,0|2,0,0]=4 9714 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,1,0,0,0,0|1,0,0]=3 9715 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 9716 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,1,0,0,0,0|2,0,0]=4 9717 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,1,0,0,0,0|2,0,0]=4 9718 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,1,0,0,0,0|2,0,0]=4 9719 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|2,0,0]=4 9720 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,0]=3 9721 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 9722 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 9723 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 9724 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,1]=4 9725 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 9726 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,1,0,0,0,0|2,0,0]=4 9727 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,1,0,0,0,0|2,0,0]=4 9728 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 9729 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 9730 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 9731 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,1,0,0,0,0|2,0,0]=4 9732 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,1,0,0,0,0|2,0,0]=4 9733 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,1,0,0,0,0|2,0,0]=4 9734 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,1,0,0,0,0|2,0,0]=4 9735 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,1,0,0,0,0|2,0,0]=4 9736 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,1,0,0,0,0|2,0,0]=4 9737 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,1,0,0,0,0|2,0,0]=4 9738 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|2,0,0]=4 9739 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,1,0,0,0,0|2,0,0]=4 9740 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|2,0,0]=4 9741 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 9742 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,1,0,0,0,0|2,0,0]=4 9743 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 9744 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,1,0,0,0,0|2,0,0]=4 9745 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,1,0,0,0,0|2,0,0]=4 9746 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,1,0,0,0,0|2,0,0]=4 9747 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,1,0,0,0,0|2,0,0]=4 9748 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,1,0,0,0,0|2,0,0]=4 9749 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,1,0,0,0,0|2,0,0]=4 9750 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,1,0,0,0,0|2,0,0]=4 9751 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,1,0,0,0,0|2,0,0]=4 9752 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,1,0,0,0,0|2,0,0]=4 9753 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,0]=3 9754 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,0]=3 9755 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,1]=4 9756 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,1]=4 9757 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,1,0,0,0,0|2,0,0]=4 9758 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,1,0,0,0,0|2,0,0]=4 9759 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,1,0,0,0,0|2,0,0]=4 9760 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,1,0,0,0,0|2,0,0]=4 9761 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,1,0,0,0,0|2,0,0]=4 9762 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,1,0,0,0,0|2,0,0]=4 9763 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|2,0,0]=4 9764 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,1,0,0,0,0|2,0,0]=4 9765 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 9766 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,1,0,0,0,0|2,0,0]=4 9767 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,1,0,0,0,0|2,0,0]=4 9768 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 9769 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,1,0,0,0,0|2,0,0]=4 9770 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,1,0,0,0,0|2,0,0]=4 9771 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,1,0,0,0,0|2,0,0]=4 9772 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,1,0,0,0,0|2,0,0]=4 9773 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,1,0,0,0,0|2,0,0]=4 9774 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,1,0,0,0,0|1,0,0]=3 9775 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,1,0,0,0,0|1,0,0]=3 9776 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 9777 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 9778 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 9779 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 9780 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [1,1,0,0,0,0|2,0,0]=4 9781 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 9782 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|1,0,0]=3 9783 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 9784 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 9785 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 9786 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 9787 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|1,0,1]=4 9788 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 9789 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,1,0,0,0,0|2,0,0]=4 9790 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,1,0,0,0,0|2,0,0]=4 9791 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,1,0,0,0,0|2,0,0]=4 9792 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,1,0,0,0,0|2,0,0]=4 9793 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 9794 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,1,0,0,0,0|2,0,0]=4 9795 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 9796 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,1,0,0,0,0|2,0,0]=4 9797 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,1,0,0,0,0|2,0,0]=4 9798 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,0]=3 9799 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 9800 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,0]=3 9801 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 9802 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,0]=3 9803 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 9804 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 9805 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,1]=4 9806 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 9807 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 9808 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,1,0,0,0,0|2,0,0]=4 9809 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 9810 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,1,0,0,0,0|2,0,0]=4 9811 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,1,0,0,0,0|2,0,0]=4 9812 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,1,0,0,0,0|2,0,0]=4 9813 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|2,0,0]=4 9814 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,1,0,0,0,0|2,0,0]=4 9815 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,1,0,0,0,0|2,0,0]=4 9816 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,1,0,0,0,0|2,0,0]=4 9817 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,1,0,0,0,0|2,0,0]=4 9818 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,1,0,0,0,0|2,0,0]=4 9819 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,1,0,0,0,0|2,0,0]=4 9820 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,1,0,0,0,0|2,0,0]=4 9821 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,1,0,0,0,0|2,0,0]=4 9822 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,1,0,0,0,0|2,0,0]=4 9823 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|2,0,0]=4 9824 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|2,0,0]=4 9825 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|2,0,0]=4 9826 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|2,0,0]=4 9827 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,1,0,0,0,0|2,0,0]=4 9828 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,1,0,0,0,0|2,0,0]=4 9829 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,1,0,0,0,0|2,0,0]=4 9830 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|2,0,0]=4 9831 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|2,0,0]=4 9832 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|2,0,0]=4 9833 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,1,0,0,0,0|2,0,0]=4 9834 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,1,0,0,0,0|2,0,0]=4 9835 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,1,0,0,0,0|2,0,0]=4 9836 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,1,0,0,0,0|2,0,0]=4 9837 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,1,0,0,0,0|2,0,0]=4 9838 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,1,0,0,0,0|2,0,0]=4 9839 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [1,1,0,0,0,0|2,0,0]=4 9840 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,1,0,0,0,0|1,0,0]=3 9841 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,1,0,0,0,0|1,0,0]=3 9842 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,1]=4 9843 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,1]=4 9844 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,1,0,0,0,0|2,0,0]=4 9845 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,1,0,0,0,0|2,0,0]=4 9846 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,1,0,0,0,0|2,0,0]=4 9847 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,1,0,0,0,0|2,0,0]=4 9848 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,1,0,0,0,0|2,0,0]=4 9849 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,1,0,0,0,0|2,0,0]=4 9850 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,1,0,0,0,0|2,0,0]=4 9851 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,1,0,0,0,0|2,0,0]=4 9852 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,1,0,0,0,0|2,0,0]=4 9853 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 9854 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,1,0,0,0,0|2,0,0]=4 9855 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 9856 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,1,0,0,0,0|2,0,0]=4 9857 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,1,0,0,0,0|2,0,0]=4 9858 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,1,0,0,0,0|2,0,0]=4 9859 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,1,0,0,0,0|2,0,0]=4 9860 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,1,0,0,0,0|2,0,0]=4 9861 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,1,0,0,0,0|2,0,0]=4 9862 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,1,0,0,0,0|2,0,0]=4 9863 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,1,0,0,0,0|2,0,0]=4 9864 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,1,0,0,0,0|2,0,0]=4 9865 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,1,0,0,0,0|2,0,0]=4 9866 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,1,0,0,0,0|2,0,0]=4 9867 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,1,0,0,0,0|2,0,0]=4 9868 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,1,0,0,0,0|2,0,0]=4 9869 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,1,0,0,0,0|2,0,0]=4 9870 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 9871 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,1]=4 9872 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 9873 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,1]=4 9874 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 9875 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,1]=4 9876 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 9877 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 9878 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|2,0,0]=4 9879 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 9880 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 9881 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 9882 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 9883 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|2,0,0]=4 9884 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|2,0,0]=4 9885 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,1,0,0,0,0|1,0,0]=3 9886 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,1,0,0,0,0|1,0,0]=3 9887 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|2,0,0]=4 9888 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|2,0,0]=4 9889 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,0,1]=4 9890 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,0,1]=4 9891 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,1,0,0,0,0|2,0,0]=4 9892 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 9893 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 9894 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,1,0,0,0,0|2,0,0]=4 9895 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,1,0,0,0,0|2,0,0]=4 9896 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,1,0,0,0,0|2,0,0]=4 9897 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,1,0,0,0,0|2,0,0]=4 9898 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 9899 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,1,0,0,0,0|2,0,0]=4 9900 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,1,0,0,0,0|2,0,0]=4 9901 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 9902 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|2,0,0]=4 9903 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,1,0,0,0,0|2,0,0]=4 9904 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,1,0,0,0,0|2,0,0]=4 9905 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,1,0,0,0,0|2,0,0]=4 9906 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,1,0,0,0,0|2,0,0]=4 9907 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 9908 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,1,0,0,0,0|2,0,0]=4 9909 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 9910 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,1,0,0,0,0|2,0,0]=4 9911 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,1,0,0,0,0|2,0,0]=4 9912 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,1,0,0,0,0|2,0,0]=4 9913 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,1,0,0,0,0|2,0,0]=4 9914 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|2,0,0]=4 9915 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|2,0,0]=4 9916 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,1,0,0,0,0|2,0,0]=4 9917 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,1,0,0,0,0|2,0,0]=4 9918 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,1,0,0,0,0|2,0,0]=4 9919 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 9920 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,1,0,0,0,0|2,0,0]=4 9921 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 9922 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 9923 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 9924 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 9925 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,1,0,0,0,0|2,0,0]=4 9926 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,1,0,0,0,0|2,0,0]=4 9927 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,1,0,0,0,0|2,0,0]=4 9928 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,1,0,0,0,0|2,0,0]=4 9929 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,1,0,0,0,0|2,0,0]=4 9930 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 9931 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,1,0,0,0,0|2,0,0]=4 9932 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,1,0,0,0,0|2,0,0]=4 9933 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|2,0,0]=4 9934 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|2,0,0]=4 9935 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|2,0,0]=4 9936 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,1,0,0,0,0|2,0,0]=4 9937 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,1,0,0,0,0|2,0,0]=4 9938 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,1,0,0,0,0|2,0,0]=4 9939 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,1,0,0,0,0|2,0,0]=4 9940 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,1,0,0,0,0|2,0,0]=4 9941 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,1,0,0,0,0|2,0,0]=4 9942 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,1,0,0,0,0|2,0,0]=4 9943 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,1,0,0,0,0|2,0,0]=4 9944 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,1,0,0,0,0|2,0,0]=4 9945 B9R0.2 O=CCCCSCC(F)F 62a_100011934356_200011292268 [1,1,0,0,0,0|2,0,0]=4 9946 B9R0.2 O=CCCCSCC(F)F 62a_200011292268_100011934356 [1,1,0,0,0,0|2,0,0]=4 9947 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,0]=3 9948 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 9949 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 9950 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 9951 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,1,0,0,0,0|1,0,0]=3 9952 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,1,0,0,0,0|1,0,0]=3 9953 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|0,0,2]=4 9954 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|0,0,2]=4 9955 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,1,0,0,0,0|1,0,1]=4 9956 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,1,0,0,0,0|1,0,1]=4 9957 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|0,0,2]=4 9958 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|0,0,2]=4 9959 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [1,1,0,0,0,0|1,0,1]=4 9960 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [1,1,0,0,0,0|1,0,1]=4 9961 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [1,1,0,0,0,0|1,0,1]=4 9962 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [1,1,0,0,0,0|1,0,1]=4 9963 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [1,1,0,0,0,0|1,0,1]=4 9964 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [1,1,0,0,0,0|1,0,1]=4 9965 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [1,1,0,0,0,0|1,0,1]=4 9966 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [1,1,0,0,0,0|1,0,1]=4 9967 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [1,1,0,0,0,0|1,0,1]=4 9968 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [1,1,0,0,0,0|1,0,1]=4 9969 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,1,0,0,0,0|1,0,1]=4 9970 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,1,0,0,0,0|1,0,1]=4 9971 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,1,0,0,0,0|1,0,1]=4 9972 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,1,0,0,0,0|1,0,1]=4 9973 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [1,1,0,0,0,0|1,0,1]=4 9974 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [1,1,0,0,0,0|1,0,1]=4 9975 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [1,1,0,0,0,0|1,0,1]=4 9976 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [1,1,0,0,0,0|1,0,1]=4 9977 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [1,1,0,0,0,0|1,0,1]=4 9978 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [1,1,0,0,0,0|1,0,1]=4 9979 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [1,1,0,0,0,0|1,0,1]=4 9980 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [1,1,0,0,0,0|1,0,1]=4 9981 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,1,0,0,0,0|1,0,1]=4 9982 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,1,0,0,0,0|1,0,1]=4 9983 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,1,0,0,0,0|1,0,1]=4 9984 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|2,0,0]=4 9985 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 9986 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,2]=4 9987 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,2]=4 9988 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|1,0,1]=4 9989 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|1,0,1]=4 9990 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 9991 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 9992 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 9993 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 9994 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 9995 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 9996 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 9997 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 9998 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,1,0,0,0,0|2,0,0]=4 9999 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,1]=4 10000 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,1]=4 10001 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,1]=4 10002 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,1,0,0,0,0|1,0,0]=3 10003 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,1,0,0,0,0|1,0,0]=3 10004 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|2,0,0]=4 10005 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 10006 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 10007 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|2,0,0]=4 10008 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,1]=4 10009 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,1]=4 10010 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,1,0,0,0,0|1,0,0]=3 10011 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,1,0,0,0,0|1,0,0]=3 10012 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,1,0,0,0,0|2,0,0]=4 10013 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,1,0,0,0,0|2,0,0]=4 10014 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,1]=4 10015 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,1]=4 10016 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,1,0,0,0,0|2,0,0]=4 10017 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 10018 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,1,0,0,0,0|2,0,0]=4 10019 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 10020 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,1]=4 10021 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,1]=4 10022 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,1,0,0,0,0|2,0,0]=4 10023 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,1,0,0,0,0|2,0,0]=4 10024 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,1,0,0,0,0|2,0,0]=4 10025 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 10026 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 10027 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,1,0,0,0,0|2,0,0]=4 10028 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,1]=4 10029 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,1]=4 10030 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,1,0,0,0,0|2,0,0]=4 10031 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,1,0,0,0,0|2,0,0]=4 10032 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,1]=4 10033 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,1]=4 10034 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,2]=4 10035 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,2]=4 10036 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 10037 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,2]=4 10038 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,2]=4 10039 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,1]=4 10040 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,1]=4 10041 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,1]=4 10042 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 10043 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,1]=4 10044 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 10045 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 10046 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 10047 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,1]=4 10048 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,1]=4 10049 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|2,0,0]=4 10050 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|2,0,0]=4 10051 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 10052 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 10053 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 10054 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,1]=4 10055 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 10056 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 10057 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,1]=4 10058 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 10059 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 10060 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 10061 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,1]=4 10062 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 10063 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 10064 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,1]=4 10065 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 10066 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 10067 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 10068 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 10069 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 10070 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 10071 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|1,0,1]=4 10072 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|1,0,1]=4 10073 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|1,0,1]=4 10074 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|1,0,1]=4 10075 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,1]=4 10076 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,1]=4 10077 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,1]=4 10078 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 10079 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|2,0,0]=4 10080 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 10081 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,1]=4 10082 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 10083 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,1]=4 10084 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 10085 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 10086 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|1,0,1]=4 10087 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|1,0,1]=4 10088 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,1]=4 10089 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 10090 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [1,1,0,0,0,0|1,0,0]=3 10091 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [1,1,0,0,0,0|1,0,0]=3 10092 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 10093 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 10094 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 10095 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 10096 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 10097 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 10098 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,1]=4 10099 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,1]=4 10100 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 10101 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 10102 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 10103 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 10104 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,1]=4 10105 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,1]=4 10106 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,1]=4 10107 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,1,0,0,0,0|2,0,0]=4 10108 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,0]=3 10109 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 10110 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,1]=4 10111 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 10112 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 10113 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [1,1,0,0,0,0|2,0,0]=4 10114 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [1,1,0,0,0,0|2,0,0]=4 10115 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [1,1,0,0,0,0|2,0,0]=4 10116 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [1,1,0,0,0,0|2,0,0]=4 10117 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [1,1,0,0,0,0|2,0,0]=4 10118 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [1,1,0,0,0,0|2,0,0]=4 10119 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [1,1,0,0,0,0|2,0,0]=4 10120 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 10121 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 10122 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|2,0,0]=4 10123 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|2,0,0]=4 10124 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|0,0,2]=4 10125 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|0,0,2]=4 10126 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [1,1,0,0,0,0|1,0,1]=4 10127 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,1,0,0,0,0|1,0,1]=4 10128 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,1,0,0,0,0|1,0,1]=4 10129 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [1,1,0,0,0,0|1,0,1]=4 10130 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [1,1,0,0,0,0|1,0,1]=4 10131 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [1,1,0,0,0,0|1,0,1]=4 10132 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [1,1,0,0,0,0|1,0,1]=4 10133 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [1,1,0,0,0,0|1,0,1]=4 10134 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [1,1,0,0,0,0|1,0,1]=4 10135 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [1,1,0,0,0,0|1,0,1]=4 10136 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,1,0,0,0,0|1,0,1]=4 10137 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,1,0,0,0,0|1,0,1]=4 10138 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,1,0,0,0,0|1,0,1]=4 10139 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [1,1,0,0,0,0|1,0,1]=4 10140 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [1,1,0,0,0,0|1,0,1]=4 10141 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [1,1,0,0,0,0|2,0,0]=4 10142 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [1,1,0,0,0,0|2,0,0]=4 10143 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,2]=4 10144 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 10145 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,2]=4 10146 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 10147 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 10148 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 10149 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 10150 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,1,0,0,0,0|1,0,0]=3 10151 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,1]=4 10152 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,1]=4 10153 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [1,1,0,0,0,0|2,0,0]=4 10154 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [1,1,0,0,0,0|2,0,0]=4 10155 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,1]=4 10156 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,1]=4 10157 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,1]=4 10158 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,1]=4 10159 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,1,0,0,0,0|1,0,0]=3 10160 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,1,0,0,0,0|1,0,0]=3 10161 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|2,0,0]=4 10162 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 10163 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 10164 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 10165 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 10166 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 10167 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|2,0,0]=4 10168 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 10169 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 10170 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,1,0,0,0,0|1,0,0]=3 10171 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,1,0,0,0,0|1,0,0]=3 10172 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,1]=4 10173 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,1]=4 10174 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [1,1,0,0,0,0|2,0,0]=4 10175 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [1,1,0,0,0,0|2,0,0]=4 10176 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,1]=4 10177 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,1]=4 10178 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|1,0,1]=4 10179 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|1,0,1]=4 10180 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|1,0,1]=4 10181 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|1,0,1]=4 10182 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 10183 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 10184 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,1]=4 10185 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 10186 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,1]=4 10187 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 10188 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|1,0,1]=4 10189 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|1,0,1]=4 10190 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 10191 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [1,1,0,0,0,0|2,0,0]=4 10192 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 10193 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 10194 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 10195 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 10196 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [1,1,0,0,0,0|2,0,0]=4 10197 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [1,1,0,0,0,0|2,0,0]=4 10198 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,1,0,0,0,0|0,0,2]=4 10199 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,1,0,0,0,0|1,0,1]=4 10200 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,1,0,0,0,0|1,0,1]=4 10201 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,1,0,0,0,0|1,0,1]=4 10202 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [1,1,0,0,0,0|1,0,1]=4 10203 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,1,0,0,0,0|1,0,1]=4 10204 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,1,0,0,0,0|1,0,1]=4 10205 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,1,0,0,0,0|1,0,1]=4 10206 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,1,0,0,0,0|1,0,1]=4 10207 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,1,0,0,0,0|1,0,1]=4 10208 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,1,0,0,0,0|1,0,1]=4 10209 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|0,0,2]=4 10210 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|0,0,2]=4 10211 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [1,1,0,0,0,0|1,0,1]=4 10212 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [1,1,0,0,0,0|1,0,1]=4 10213 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [1,1,0,0,0,0|1,0,1]=4 10214 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [1,1,0,0,0,0|1,0,1]=4 10215 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [1,1,0,0,0,0|1,0,1]=4 10216 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [1,1,0,0,0,0|1,0,1]=4 10217 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [1,1,0,0,0,0|1,0,1]=4 10218 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [1,1,0,0,0,0|1,0,1]=4 10219 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [1,1,0,0,0,0|1,0,1]=4 10220 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [1,1,0,0,0,0|1,0,1]=4 10221 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [1,1,0,0,0,0|1,0,1]=4 10222 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [1,1,0,0,0,0|1,0,1]=4 10223 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [1,1,0,0,0,0|1,0,1]=4 10224 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [1,1,0,0,0,0|1,0,1]=4 10225 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [1,1,0,0,0,0|1,0,1]=4 10226 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [1,1,0,0,0,0|1,0,1]=4 10227 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [1,1,0,0,0,0|1,0,1]=4 10228 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [1,1,0,0,0,0|1,0,1]=4 10229 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [1,1,0,0,0,0|1,0,1]=4 10230 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [1,1,0,0,0,0|1,0,1]=4 10231 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [1,1,0,0,0,0|1,0,1]=4 10232 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [1,1,0,0,0,0|1,0,1]=4 10233 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [1,1,0,0,0,0|1,0,1]=4 10234 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [1,1,0,0,0,0|1,0,1]=4 10235 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [1,1,0,0,0,0|1,0,1]=4 10236 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [1,1,0,0,0,0|1,0,1]=4 10237 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [1,1,0,0,0,0|1,0,1]=4 10238 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [1,1,0,0,0,0|1,0,1]=4 10239 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [1,1,0,0,0,0|1,0,1]=4 10240 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [1,1,0,0,0,0|1,0,1]=4 10241 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|1,0,1]=4 10242 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [1,1,0,0,0,0|2,0,0]=4 10243 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [1,1,0,0,0,0|2,0,0]=4 10244 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|2,0,0]=4 10245 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [1,1,0,0,0,0|2,0,0]=4 10246 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,1]=4 10247 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,2]=4 10248 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,2]=4 10249 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|2,0,0]=4 10250 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [1,1,0,0,0,0|1,0,0]=3 10251 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,1,0,0,0,0|2,0,0]=4 10252 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,1]=4 10253 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|1,0,0]=3 10254 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|2,0,0]=4 10255 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,1]=4 10256 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 10257 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [1,1,0,0,0,0|2,0,0]=4 10258 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [1,1,0,0,0,0|2,0,0]=4 10259 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 10260 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|1,0,1]=4 10261 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|1,0,1]=4 10262 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [1,1,0,0,0,0|2,0,0]=4 10263 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [1,1,0,0,0,0|2,0,0]=4 10264 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [1,1,0,0,0,0|2,0,0]=4 10265 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [1,1,0,0,0,0|2,0,0]=4 10266 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [1,1,0,0,0,0|2,0,0]=4 10267 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [1,1,0,0,0,0|2,0,0]=4 10268 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,0,1]=4 10269 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,0,1]=4 10270 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [1,1,0,0,0,0|1,0,0]=3 10271 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [1,1,0,0,0,0|2,0,0]=4 10272 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|1,0,1]=4 10273 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|1,0,1]=4 10274 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,1]=4 10275 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [1,1,0,0,0,0|1,0,0]=3 10276 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|2,0,0]=4 10277 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|2,0,0]=4 10278 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|2,0,0]=4 10279 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|2,0,0]=4 10280 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|2,0,0]=4 10281 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|2,0,0]=4 10282 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|2,0,0]=4 10283 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|2,0,0]=4 10284 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,1]=4 10285 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [1,1,0,0,0,0|1,0,0]=3 10286 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [1,1,0,0,0,0|1,0,0]=3 10287 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [1,1,0,0,0,0|2,0,0]=4 10288 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [1,1,0,0,0,0|2,0,0]=4 10289 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,0,1]=4 10290 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,0,1]=4 10291 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [1,1,0,0,0,0|2,0,0]=4 10292 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 10293 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 10294 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|1,0,1]=4 10295 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [1,1,0,0,0,0|2,0,0]=4 10296 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [1,1,0,0,0,0|2,0,0]=4 10297 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [1,1,0,0,0,0|2,0,0]=4 10298 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [1,1,0,0,0,0|2,0,0]=4 10299 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [1,1,0,0,0,0|2,0,0]=4 10300 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [1,1,0,0,0,0|2,0,0]=4 10301 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,0,1]=4 10302 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,0,1]=4 10303 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,2]=4 10304 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,2]=4 10305 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 10306 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,2]=4 10307 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|1,0,1]=4 10308 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|1,0,1]=4 10309 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|1,0,1]=4 10310 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|1,0,1]=4 10311 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|1,0,1]=4 10312 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|1,0,1]=4 10313 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|1,0,1]=4 10314 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|1,0,1]=4 10315 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|1,0,1]=4 10316 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|1,0,1]=4 10317 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|1,0,1]=4 10318 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|1,0,1]=4 10319 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|1,0,1]=4 10320 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|1,0,1]=4 10321 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|1,0,1]=4 10322 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|1,0,1]=4 10323 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|1,0,1]=4 10324 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,1]=4 10325 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,1]=4 10326 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,1]=4 10327 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,1]=4 10328 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,1,0,0,0,0|2,0,0]=4 10329 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,1]=4 10330 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,1]=4 10331 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|1,0,1]=4 10332 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|1,0,1]=4 10333 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 10334 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 10335 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 10336 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|2,0,0]=4 10337 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|2,0,0]=4 10338 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 10339 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 10340 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 10341 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,1]=4 10342 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,1]=4 10343 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,0,1]=4 10344 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,0,1]=4 10345 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,0,1]=4 10346 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,1,0,0,0,0|1,0,1]=4 10347 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,1,0,0,0,0|1,0,1]=4 10348 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,1,0,0,0,0|1,0,1]=4 10349 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,1,0,0,0,0|1,0,1]=4 10350 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,1]=4 10351 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,1,0,0,0,0|1,0,1]=4 10352 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,1,0,0,0,0|1,0,1]=4 10353 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,1,0,0,0,0|1,0,1]=4 10354 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,1]=4 10355 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,1]=4 10356 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,1,0,0,0,0|1,0,1]=4 10357 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,1,0,0,0,0|1,0,1]=4 10358 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|1,0,1]=4 10359 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|1,0,1]=4 10360 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,1]=4 10361 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [1,1,0,0,0,0|2,0,0]=4 10362 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [1,1,0,0,0,0|2,0,0]=4 10363 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,1]=4 10364 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,1]=4 10365 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,1]=4 10366 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 10367 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 10368 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [1,1,0,0,0,0|2,0,0]=4 10369 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [1,1,0,0,0,0|2,0,0]=4 10370 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,1,0,0,0,0|1,0,1]=4 10371 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,1,0,0,0,0|1,0,1]=4 10372 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 10373 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 10374 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 10375 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 10376 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,1]=4 10377 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 10378 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 10379 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,1,0,0,0,0|2,0,0]=4 10380 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,1,0,0,0,0|2,0,0]=4 10381 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 10382 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 10383 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [1,1,0,0,0,0|2,0,0]=4 10384 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,1,0,0,0,0|1,0,1]=4 10385 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,1,0,0,0,0|1,0,1]=4 10386 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,1,0,0,0,0|1,0,1]=4 10387 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,1,0,0,0,0|1,0,1]=4 10388 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,1]=4 10389 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,1]=4 10390 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,1,0,0,0,0|1,0,1]=4 10391 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,1,0,0,0,0|1,0,1]=4 10392 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,1]=4 10393 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,1]=4 10394 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [1,1,0,0,0,0|2,0,0]=4 10395 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [1,1,0,0,0,0|2,0,0]=4 10396 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,1]=4 10397 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,1]=4 10398 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,1]=4 10399 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 10400 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 10401 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|1,0,1]=4 10402 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 10403 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 10404 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 10405 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 10406 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|1,0,1]=4 10407 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|1,0,1]=4 10408 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|1,0,1]=4 10409 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|1,0,1]=4 10410 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,1]=4 10411 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 10412 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 10413 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 10414 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [1,1,0,0,0,0|2,0,0]=4 10415 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [1,1,0,0,0,0|2,0,0]=4 10416 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [1,1,0,0,0,0|2,0,0]=4 10417 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [1,1,0,0,0,0|2,0,0]=4 10418 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [1,1,0,0,0,0|2,0,0]=4 10419 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,1]=4 10420 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [1,1,0,0,0,0|2,0,0]=4 10421 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [1,1,0,0,0,0|2,0,0]=4 10422 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,0,1]=4 10423 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,0,1]=4 10424 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [1,1,0,0,0,0|2,0,0]=4 10425 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [1,1,0,0,0,0|2,0,0]=4 10426 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [1,1,0,0,0,0|2,0,0]=4 10427 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [1,1,0,0,0,0|2,0,0]=4 10428 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [1,1,0,0,0,0|2,0,0]=4 10429 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [1,1,0,0,0,0|2,0,0]=4 10430 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,2,0,0,0,0|1,0,1]=4 10431 B11R0.2 C=C(C)CN(C)CCCCC=O 2230a_100000225649_100000139335 [0,2,0,0,0,0|1,0,1]=4 10432 B11R0.2 C=C(C)CN(C)CCCCC=O 269982a_100000225649_100000139335 [0,2,0,0,0,0|1,0,1]=4 10433 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,2,0,0,0,0|2,0,0]=4 10434 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,2,0,0,0,0|2,0,0]=4 10435 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,2,0,0,0,0|2,0,0]=4 10436 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,2,0,0,0,0|2,0,0]=4 10437 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,2,0,0,0,0|1,0,1]=4 10438 B11R0.2 C=C(F)CN(C)CCCCCC 2230a_106256046315_100009893438 [0,2,0,0,0,0|2,0,0]=4 10439 B11R0.2 C=C(F)CN(C)CCCCCC 269982a_106256046315_100009893438 [0,2,0,0,0,0|2,0,0]=4 10440 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,2,0,0,0,0|1,0,1]=4 10441 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,2,0,0,0,0|1,0,1]=4 10442 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|1,0,1]=4 10443 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|1,0,1]=4 10444 B11R0.2 C=CCCCCN(C)CC(C)C 2230a_100000747067_100011215482 [0,2,0,0,0,0|2,0,0]=4 10445 B11R0.2 C=CCCCCN(C)CC(C)C 2230a_100012000471_100000210760 [0,2,0,0,0,0|2,0,0]=4 10446 B11R0.2 C=CCCCCN(C)CC(C)C 269982a_100000747067_100011215482 [0,2,0,0,0,0|2,0,0]=4 10447 B11R0.2 C=CCCCCN(C)CC(C)C 269982a_100012000471_100000210624 [0,2,0,0,0,0|2,0,0]=4 10448 B11R0.2 C=CCCCCN(C)CC(C)C 270004a_100012000471_100000210432 [0,2,0,0,0,0|2,0,0]=4 10449 B11R0.2 C=CCCCCN(C)CC(C)O 2230a_100000227577_100011215482 [0,2,0,0,0,0|2,0,0]=4 10450 B11R0.2 C=CCCCCN(C)CC(C)O 2230a_100012000471_100011218427 [0,2,0,0,0,0|2,0,0]=4 10451 B11R0.2 C=CCCCCN(C)CC(C)O 269982a_100000227577_100011215482 [0,2,0,0,0,0|2,0,0]=4 10452 B11R0.2 C=CCCCCN(C)CC(C)O 269982a_100012000471_100011218427 [0,2,0,0,0,0|2,0,0]=4 10453 B11R0.2 C=CCCCCN(C)C[C@@H](C)O 2230a_100012000471_100009817552 [0,2,0,0,0,0|2,0,0]=4 10454 B11R0.2 C=CCCCCN(C)C[C@@H](C)O 269982a_100012000471_100009817552 [0,2,0,0,0,0|2,0,0]=4 10455 B11R0.2 C=CCCCNC(C)CC(C)C 2230a_100000692259_100011713584 [0,2,0,0,0,0|2,0,0]=4 10456 B11R0.2 C=CCCCNC(C)CC(C)C 2230a_100000700776_100000731052 [0,2,0,0,0,0|2,0,0]=4 10457 B11R0.2 C=CCCCNC(C)CC(C)C 34a_100000700776_100000731052 [0,2,0,0,0,0|2,0,0]=4 10458 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000211805_100000757094 [0,2,0,0,0,0|2,0,0]=4 10459 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000758997_100000731052 [0,2,0,0,0,0|2,0,0]=4 10460 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000211805_100000757094 [0,2,0,0,0,0|2,0,0]=4 10461 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000758997_100000731052 [0,2,0,0,0,0|2,0,0]=4 10462 B11R0.2 C=CCCCSC(C)CC(C)C 62a_100000731052_100000757094 [0,2,0,0,0,0|2,0,0]=4 10463 B11R0.2 C=CCCCSC(C)CC(C)C 62a_100011713584_100000731052 [0,2,0,0,0,0|2,0,0]=4 10464 B11R0.2 C=CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000754431 [0,2,0,0,0,0|2,0,0]=4 10465 B11R0.2 C=CCOCC[C@@H](N)CC(C)C 34a_100161151251_100015514636 [0,2,0,0,0,0|2,0,0]=4 10466 B11R0.2 CC(C)CC(C)NCCCC=O 2230a_100000692259_200011292268 [0,2,0,0,0,0|1,0,0]=3 10467 B11R0.2 CC(C)CC(C)OCCCC=O 7a_100000211805_200011292268 [0,2,0,0,0,0|1,0,0]=3 10468 B11R0.2 CC(C)CC(C)SCCCC=O 62a_100000731052_200011292268 [0,2,0,0,0,0|1,0,0]=3 10469 B11R0.2 CC(C)CC(C)SCCCC=O 62a_200011292268_100000731052 [0,2,0,0,0,0|1,0,0]=3 10470 B11R0.2 CC(C)CN(C)CCCCC=O 2230a_100000747067_100000139335 [0,2,0,0,0,0|1,0,0]=3 10471 B11R0.2 CC(C)CN(C)CCCCC=O 269982a_100000747067_100000139335 [0,2,0,0,0,0|1,0,0]=3 10472 B11R0.2 CC(C)C[C@H](N)CCOCC=O 34a_100161151251_200009817547 [0,2,0,0,0,0|1,0,0]=3 10473 B11R0.2 CC(CN(C)C)SCCCC=O 62a_100020606517_200011292268 [0,2,0,0,0,0|2,0,0]=4 10474 B11R0.2 CC(CN(C)C)SCCCC=O 62a_200011292268_100020606517 [0,2,0,0,0,0|2,0,0]=4 10475 B11R0.2 CC(O)CN(C)CCCCC=O 2230a_100000227577_100000139335 [0,2,0,0,0,0|1,0,0]=3 10476 B11R0.2 CC(O)CN(C)CCCCC=O 269982a_100000227577_100000139335 [0,2,0,0,0,0|1,0,0]=3 10477 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,2,0,0,0,0|0,0,1]=3 10478 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,2,0,0,0,0|0,0,1]=3 10479 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,2,0,0,0,0|0,0,1]=3 10480 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,2,0,0,0,0|1,0,1]=4 10481 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,2,0,0,0,0|1,0,0]=3 10482 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,2,0,0,0,0|1,0,0]=3 10483 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,2,0,0,0,0|1,0,0]=3 10484 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,2,0,0,0,0|1,0,0]=3 10485 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,2,0,0,0,0|1,0,0]=3 10486 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,2,0,0,0,0|1,0,0]=3 10487 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,2,0,0,0,0|1,0,0]=3 10488 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|1,0,0]=3 10489 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,2,0,0,0,0|1,0,0]=3 10490 B11R0.2 CCCCCCN(C)C[N+](=O)[O-] 269982a_106256046315_100000761209 [0,2,0,0,0,0|2,0,0]=4 10491 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,2,0,0,0,0|1,0,1]=4 10492 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 10493 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 10494 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,2,0,0,0,0|2,0,0]=4 10495 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,2,0,0,0,0|2,0,0]=4 10496 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|1,0,0]=3 10497 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,2,0,0,0,0|1,0,1]=4 10498 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,2,0,0,0,0|1,0,1]=4 10499 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,2,0,0,0,0|1,0,1]=4 10500 B11R0.2 CCCCOCN(C)CC(=O)N 2230a_100000739694_100011995733 [0,2,0,0,0,0|2,0,0]=4 10501 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [0,2,0,0,0,0|2,0,0]=4 10502 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [0,2,0,0,0,0|1,0,1]=4 10503 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [0,2,0,0,0,0|1,0,1]=4 10504 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [0,2,0,0,0,0|1,0,1]=4 10505 B11R0.2 CCCOCCN(C)CC(=O)N 2230a_100000739694_100011215938 [0,2,0,0,0,0|2,0,0]=4 10506 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [0,2,0,0,0,0|2,0,0]=4 10507 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [0,2,0,0,0,0|1,0,1]=4 10508 B11R0.2 CCOCCCN(C)CC(=O)N 2230a_100000739694_100012232248 [0,2,0,0,0,0|2,0,0]=4 10509 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [0,2,0,0,0,0|2,0,0]=4 10510 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [0,2,0,0,0,0|2,0,0]=4 10511 B11R0.2 CN(CCCCCF)CC(=O)N 2230a_100000739694_100000729378 [0,2,0,0,0,0|2,0,0]=4 10512 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [0,2,0,0,0,0|2,0,0]=4 10513 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000722520_100000747473 [0,2,0,0,0,0|2,0,0]=4 10514 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000739694_100000746330 [0,2,0,0,0,0|2,0,0]=4 10515 B11R0.2 CN(CCCCCO)CC(=O)N 269982a_100000722520_100000187820 [0,2,0,0,0,0|2,0,0]=4 10516 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,2,0,0,0,0|2,0,0]=4 10517 B11R0.2 CN(CCCCCO)CC(=O)[O-] 269982a_100000722520_100020667443 [0,2,0,0,0,0|2,0,0]=4 10518 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [0,2,0,0,0,0|1,0,1]=4 10519 B11R0.2 COCCCCN(C)CC(=O)N 2230a_100000739694_100000730899 [0,2,0,0,0,0|2,0,0]=4 10520 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,2,0,0,0,0|2,0,0]=4 10521 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,2,0,0,0,0|2,0,0]=4 10522 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,2,0,0,0,0|2,0,0]=4 10523 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [0,2,0,0,0,0|1,0,1]=4 10524 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [0,2,0,0,0,0|1,0,1]=4 10525 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [0,2,0,0,0,0|1,0,1]=4 10526 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,2,0,0,0,0|2,0,0]=4 10527 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,2,0,0,0,0|2,0,0]=4 10528 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [0,2,0,0,0,0|1,0,1]=4 10529 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,2,0,0,0,0|1,0,1]=4 10530 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,2,0,0,0,0|1,0,1]=4 10531 B11R0.4 C#CCC(C)OCCCCC=O 7a_100000685586_100000139335 [0,2,0,0,0,0|0,0,2]=4 10532 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,2,0,0,0,0|1,0,1]=4 10533 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,2,0,0,0,0|1,0,1]=4 10534 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,2,0,0,0,0|1,0,1]=4 10535 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,2,0,0,0,0|1,0,1]=4 10536 B11R0.4 C#CCCCCCN(C)CCC 2230a_100000747261_100012094781 [0,2,0,0,0,0|1,0,1]=4 10537 B11R0.4 C#CCCCCCN(C)CCC 269982a_100000747261_100012094781 [0,2,0,0,0,0|1,0,1]=4 10538 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000706060_100000766640 [0,2,0,0,0,0|1,0,1]=4 10539 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000741246_100010269958 [0,2,0,0,0,0|1,0,1]=4 10540 B11R0.4 C#CCCCCNC(C)CCC 34a_100000706060_100000766640 [0,2,0,0,0,0|1,0,1]=4 10541 B11R0.4 C#CCCCCOC(C)CCC 34a_100000764384_100010269958 [0,2,0,0,0,0|1,0,1]=4 10542 B11R0.4 C#CCCCCOC(C)CCC 34a_100000766709_100000766640 [0,2,0,0,0,0|1,0,1]=4 10543 B11R0.4 C#CCCCCOC(C)CCC 7a_100000764384_100010269958 [0,2,0,0,0,0|1,0,1]=4 10544 B11R0.4 C#CCCCCOC(C)CCC 7a_100000766709_100000766640 [0,2,0,0,0,0|1,0,1]=4 10545 B11R0.4 C#CCCCCSC(C)CCC 62a_100000766640_100010269958 [0,2,0,0,0,0|1,0,1]=4 10546 B11R0.4 C#CCCCCSC(C)CCC 62a_100010269958_100000766640 [0,2,0,0,0,0|1,0,1]=4 10547 B11R0.4 C#CCCCNCC(C)CCC 270004a_100000718082_100000243154 [0,2,0,0,0,0|1,0,1]=4 10548 B11R0.4 C#CCCCNCC(C)CCC 34a_100000718082_100011216630 [0,2,0,0,0,0|1,0,1]=4 10549 B11R0.4 C#CCCCOCC(C)CCC 34a_100000215630_100011216630 [0,2,0,0,0,0|1,0,1]=4 10550 B11R0.4 C#CCCCOCC(C)CCC 34a_100000688023_100000695029 [0,2,0,0,0,0|1,0,1]=4 10551 B11R0.4 C#CCCCOCC(C)CCC 7a_100000215630_100011216630 [0,2,0,0,0,0|1,0,1]=4 10552 B11R0.4 C#CCCCOCC(C)CCC 7a_100000688023_100011215417 [0,2,0,0,0,0|1,0,1]=4 10553 B11R0.4 C#CCCCOC[C@@H](N)CCC 34a_100000732646_100000695029 [0,2,0,0,0,0|1,0,1]=4 10554 B11R0.4 C#CCCCSCC(C)CCC 62a_100011215417_100011216630 [0,2,0,0,0,0|1,0,1]=4 10555 B11R0.4 C#CCCCSCC(C)CCC 62a_100011216630_100011215417 [0,2,0,0,0,0|1,0,1]=4 10556 B11R0.4 C#CCCOCCC(C)CCC 34a_100011217855_100000688953 [0,2,0,0,0,0|1,0,1]=4 10557 B11R0.4 C#CCCOCCC(C)CCC 7a_100011217855_100000688953 [0,2,0,0,0,0|1,0,1]=4 10558 B11R0.4 C#CCCOCC[C@@H](N)CCC 34a_100015193777_100000688953 [0,2,0,0,0,0|1,0,1]=4 10559 B11R0.4 C#CCN(C)CCCCCC=O 2230a_100000225692_100000139337 [0,2,0,0,0,0|0,0,2]=4 10560 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,2,0,0,0,0|1,0,1]=4 10561 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,2,0,0,0,0|1,0,1]=4 10562 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,2,0,0,0,0|1,0,1]=4 10563 B11R0.4 C#CCOCCCC(C)CCC 34a_100011713154_100000184674 [0,2,0,0,0,0|1,0,1]=4 10564 B11R0.4 C#CCOCCCC(C)CCC 7a_100011713154_100000038162 [0,2,0,0,0,0|1,0,1]=4 10565 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,2,0,0,0,0|1,0,1]=4 10566 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [0,2,0,0,0,0|1,0,1]=4 10567 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [0,2,0,0,0,0|1,0,1]=4 10568 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [0,2,0,0,0,0|1,0,1]=4 10569 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [0,2,0,0,0,0|1,0,1]=4 10570 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|1,0,0]=3 10571 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|1,0,0]=3 10572 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,2,0,0,0,0|1,0,1]=4 10573 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,2,0,0,0,0|1,0,1]=4 10574 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,2,0,0,0,0|1,0,1]=4 10575 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,2,0,0,0,0|1,0,1]=4 10576 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,2,0,0,0,0|1,0,1]=4 10577 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,2,0,0,0,0|1,0,1]=4 10578 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,2,0,0,0,0|1,0,1]=4 10579 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,2,0,0,0,0|1,0,1]=4 10580 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,2,0,0,0,0|1,0,1]=4 10581 B11R0.4 C=CCC(C)COCCCC=O 7a_100009832082_200011292268 [0,2,0,0,0,0|0,0,2]=4 10582 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,2,0,0,0,0|1,0,0]=3 10583 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,2,0,0,0,0|1,0,0]=3 10584 B11R0.4 C=CCC(C)COCCCCF 34a_100009832082_100000729493 [0,2,0,0,0,0|2,0,0]=4 10585 B11R0.4 C=CCC(C)COCCCCF 7a_100009832082_100000729493 [0,2,0,0,0,0|2,0,0]=4 10586 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [0,2,0,0,0,0|2,0,0]=4 10587 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [0,2,0,0,0,0|2,0,0]=4 10588 B11R0.4 C=CCC(C)COCCCOC 34a_100009832082_100000740836 [0,2,0,0,0,0|2,0,0]=4 10589 B11R0.4 C=CCC(C)COCCCOC 7a_100009832082_100000740836 [0,2,0,0,0,0|2,0,0]=4 10590 B11R0.4 C=CCC(C)COCCOCC 34a_100009832082_100000210147 [0,2,0,0,0,0|2,0,0]=4 10591 B11R0.4 C=CCC(C)COCCOCC 7a_100009832082_100011215890 [0,2,0,0,0,0|2,0,0]=4 10592 B11R0.4 C=CCC(C)COCCSCC 34a_100009832082_100000757381 [0,2,0,0,0,0|2,0,0]=4 10593 B11R0.4 C=CCC(C)COCCSCC 7a_100009832082_100000757381 [0,2,0,0,0,0|2,0,0]=4 10594 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|1,0,0]=3 10595 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|1,0,0]=3 10596 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,2,0,0,0,0|1,0,1]=4 10597 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|1,0,1]=4 10598 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|1,0,1]=4 10599 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|1,0,1]=4 10600 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,2,0,0,0,0|1,0,1]=4 10601 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|1,0,1]=4 10602 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|1,0,1]=4 10603 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|1,0,1]=4 10604 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [0,2,0,0,0,0|1,0,0]=3 10605 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [0,2,0,0,0,0|1,0,0]=3 10606 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [0,2,0,0,0,0|2,0,0]=4 10607 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [0,2,0,0,0,0|2,0,0]=4 10608 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 10609 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 10610 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 10611 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 10612 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [0,2,0,0,0,0|1,0,0]=3 10613 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [0,2,0,0,0,0|1,0,0]=3 10614 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [0,2,0,0,0,0|1,0,0]=3 10615 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [0,2,0,0,0,0|1,0,0]=3 10616 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [0,2,0,0,0,0|2,0,0]=4 10617 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [0,2,0,0,0,0|2,0,0]=4 10618 B11R0.4 C=CCCCCNC(C)COC 2230a_100000703577_100000765312 [0,2,0,0,0,0|2,0,0]=4 10619 B11R0.4 C=CCCCCNC(C)COC 270004a_100000703577_100000749346 [0,2,0,0,0,0|2,0,0]=4 10620 B11R0.4 C=CCCCCNC(C)COC 34a_100000703577_100000765312 [0,2,0,0,0,0|2,0,0]=4 10621 B11R0.4 C=CCCCCNC(C)CSC 270004a_100000703577_100011216314 [0,2,0,0,0,0|2,0,0]=4 10622 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [0,2,0,0,0,0|2,0,0]=4 10623 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [0,2,0,0,0,0|2,0,0]=4 10624 B11R0.4 C=CCCCCN[C@H](C)COC 2230a_100000764878_100011215482 [0,2,0,0,0,0|2,0,0]=4 10625 B11R0.4 C=CCCCCOC(C)CCBr 34a_100012276601_100011215482 [0,2,0,0,0,0|2,0,0]=4 10626 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,2,0,0,0,0|1,0,0]=3 10627 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,2,0,0,0,0|1,0,0]=3 10628 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,2,0,0,0,0|1,0,0]=3 10629 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,2,0,0,0,0|1,0,0]=3 10630 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [0,2,0,0,0,0|2,0,0]=4 10631 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [0,2,0,0,0,0|2,0,0]=4 10632 B11R0.4 C=CCCCCOC(C)COC 34a_100000766645_100000765312 [0,2,0,0,0,0|2,0,0]=4 10633 B11R0.4 C=CCCCCOC(C)COC 7a_100000766645_100000765312 [0,2,0,0,0,0|2,0,0]=4 10634 B11R0.4 C=CCCCCO[C@H](C)COC 34a_100011934205_100011215482 [0,2,0,0,0,0|2,0,0]=4 10635 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [0,2,0,0,0,0|1,0,0]=3 10636 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [0,2,0,0,0,0|1,0,0]=3 10637 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [0,2,0,0,0,0|2,0,0]=4 10638 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [0,2,0,0,0,0|2,0,0]=4 10639 B11R0.4 C=CCCCCSC(C)COC 62a_100000765312_100011215482 [0,2,0,0,0,0|2,0,0]=4 10640 B11R0.4 C=CCCCCSC(C)COC 62a_100011215482_100000765312 [0,2,0,0,0,0|2,0,0]=4 10641 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,2,0,0,0,0|1,0,1]=4 10642 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [0,2,0,0,0,0|1,0,0]=3 10643 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [0,2,0,0,0,0|1,0,0]=3 10644 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [0,2,0,0,0,0|1,0,0]=3 10645 B11R0.4 C=CCCCNCC(O)COC 2230a_100000756049_100011713584 [0,2,0,0,0,0|2,0,0]=4 10646 B11R0.4 C=CCCCNCC(O)COC 34a_100000700776_100011215053 [0,2,0,0,0,0|2,0,0]=4 10647 B11R0.4 C=CCCCNCC(O)COC 34a_100000756049_100000757094 [0,2,0,0,0,0|2,0,0]=4 10648 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|1,0,1]=4 10649 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [0,2,0,0,0,0|1,0,0]=3 10650 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [0,2,0,0,0,0|1,0,0]=3 10651 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [0,2,0,0,0,0|1,0,0]=3 10652 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [0,2,0,0,0,0|1,0,0]=3 10653 B11R0.4 C=CCCCOCC(C)CCN 34a_106354213184_100000757094 [0,2,0,0,0,0|2,0,0]=4 10654 B11R0.4 C=CCCCOCC(N)COC 34a_100000724102_100000757094 [0,2,0,0,0,0|2,0,0]=4 10655 B11R0.4 C=CCCCOCC(O)COC 34a_100000758997_100011215053 [0,2,0,0,0,0|2,0,0]=4 10656 B11R0.4 C=CCCCOCC(O)COC 7a_100000758997_100011215053 [0,2,0,0,0,0|2,0,0]=4 10657 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [0,2,0,0,0,0|1,0,0]=3 10658 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,2,0,0,0,0|1,0,1]=4 10659 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,2,0,0,0,0|1,0,1]=4 10660 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [0,2,0,0,0,0|1,0,0]=3 10661 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [0,2,0,0,0,0|1,0,0]=3 10662 B11R0.4 C=CCCCSCC(O)COC 62a_100011215053_100000757094 [0,2,0,0,0,0|2,0,0]=4 10663 B11R0.4 C=CCCCSCC(O)COC 62a_100011713584_100011215053 [0,2,0,0,0,0|2,0,0]=4 10664 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [0,2,0,0,0,0|1,0,0]=3 10665 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [0,2,0,0,0,0|1,0,0]=3 10666 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [0,2,0,0,0,0|1,0,0]=3 10667 B11R0.4 C=CCN(C)CCCCCC=O 2230a_100000225617_100000139337 [0,2,0,0,0,0|0,0,2]=4 10668 B11R0.4 C=CCN(C)CCCCCC=O 269982a_100000225617_100000139337 [0,2,0,0,0,0|0,0,2]=4 10669 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,2,0,0,0,0|1,0,0]=3 10670 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,2,0,0,0,0|1,0,0]=3 10671 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,2,0,0,0,0|1,0,0]=3 10672 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,2,0,0,0,0|1,0,0]=3 10673 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [0,2,0,0,0,0|2,0,0]=4 10674 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [0,2,0,0,0,0|2,0,0]=4 10675 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [0,2,0,0,0,0|2,0,0]=4 10676 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [0,2,0,0,0,0|2,0,0]=4 10677 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [0,2,0,0,0,0|2,0,0]=4 10678 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [0,2,0,0,0,0|2,0,0]=4 10679 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [0,2,0,0,0,0|1,0,0]=3 10680 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [0,2,0,0,0,0|1,0,0]=3 10681 B11R0.4 C=CCOCCOC(C)CCC 34a_100000037705_100000766640 [0,2,0,0,0,0|2,0,0]=4 10682 B11R0.4 C=CCOCCOC(C)CCC 7a_100000037705_100000766640 [0,2,0,0,0,0|2,0,0]=4 10683 B11R0.4 C=CC[C@@H](C)OCCCCC=O 7a_100000731007_100000139335 [0,2,0,0,0,0|0,0,2]=4 10684 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,2,0,0,0,0|1,0,0]=3 10685 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,2,0,0,0,0|1,0,0]=3 10686 B11R0.4 C=CC[C@@H](C)OCCCCCF 34a_100000731007_100000729378 [0,2,0,0,0,0|2,0,0]=4 10687 B11R0.4 C=CC[C@@H](C)OCCCCCF 7a_100000731007_100000729378 [0,2,0,0,0,0|2,0,0]=4 10688 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,2,0,0,0,0|2,0,0]=4 10689 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,2,0,0,0,0|2,0,0]=4 10690 B11R0.4 C=CC[C@@H](C)OCCCCOC 34a_100000731007_100000755781 [0,2,0,0,0,0|2,0,0]=4 10691 B11R0.4 C=CC[C@@H](C)OCCCCOC 7a_100000731007_100000730899 [0,2,0,0,0,0|2,0,0]=4 10692 B11R0.4 C=CC[C@@H](C)OCCCOCC 34a_100000731007_100012232248 [0,2,0,0,0,0|2,0,0]=4 10693 B11R0.4 C=CC[C@@H](C)OCCCOCC 7a_100000731007_100012232248 [0,2,0,0,0,0|2,0,0]=4 10694 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [0,2,0,0,0,0|2,0,0]=4 10695 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [0,2,0,0,0,0|2,0,0]=4 10696 B11R0.4 C=CC[C@@H](C)OCOCCCC 34a_100000731007_100011995733 [0,2,0,0,0,0|2,0,0]=4 10697 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,2,0,0,0,0|1,0,0]=3 10698 B11R0.4 C=CC[C@@H](N)COCCCCF 34a_100020615467_100000729493 [0,2,0,0,0,0|2,0,0]=4 10699 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [0,2,0,0,0,0|2,0,0]=4 10700 B11R0.4 C=CC[C@@H](N)COCCCOC 34a_100020615467_100000740836 [0,2,0,0,0,0|2,0,0]=4 10701 B11R0.4 C=CC[C@@H](N)COCCOCC 34a_100020615467_100000210147 [0,2,0,0,0,0|2,0,0]=4 10702 B11R0.4 C=CC[C@@H](N)COCCSCC 34a_100020615467_100000757381 [0,2,0,0,0,0|2,0,0]=4 10703 B11R0.4 C=COCCCNC(C)CCC 2230a_100000210767_100000766640 [0,2,0,0,0,0|2,0,0]=4 10704 B11R0.4 C=COCCCNC(C)CCC 270004a_100000210767_100000211909 [0,2,0,0,0,0|2,0,0]=4 10705 B11R0.4 C=COCCCNC(C)CCC 34a_100000210767_100000766640 [0,2,0,0,0,0|2,0,0]=4 10706 B11R0.4 C=COCCOCC(C)CCC 34a_100000033082_100011216630 [0,2,0,0,0,0|2,0,0]=4 10707 B11R0.4 C=COCCOCC(C)CCC 34a_100000688023_100000039644 [0,2,0,0,0,0|2,0,0]=4 10708 B11R0.4 C=COCCOCC(C)CCC 7a_100000688023_100000039644 [0,2,0,0,0,0|2,0,0]=4 10709 B11R0.4 C=COCCOC[C@@H](N)CCC 34a_100000732646_100000039644 [0,2,0,0,0,0|2,0,0]=4 10710 B11R0.4 C=COCCSCC(C)CCC 62a_100000039644_100011216630 [0,2,0,0,0,0|2,0,0]=4 10711 B11R0.4 C=COCCSCC(C)CCC 62a_100011216630_100000039644 [0,2,0,0,0,0|2,0,0]=4 10712 B11R0.4 CC(CC#N)SCCCCC=O 62a_100000139335_100009813641 [0,2,0,0,0,0|1,0,1]=4 10713 B11R0.4 CC(CC#N)SCCCCC=O 62a_100009813641_100000139335 [0,2,0,0,0,0|1,0,1]=4 10714 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [0,2,0,0,0,0|1,0,0]=3 10715 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [0,2,0,0,0,0|1,0,0]=3 10716 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|1,0,1]=4 10717 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [0,2,0,0,0,0|1,0,1]=4 10718 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [0,2,0,0,0,0|1,0,1]=4 10719 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [0,2,0,0,0,0|1,0,1]=4 10720 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [0,2,0,0,0,0|1,0,1]=4 10721 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,2,0,0,0,0|1,0,1]=4 10722 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,1]=4 10723 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|0,0,2]=4 10724 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|0,0,2]=4 10725 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|2,0,0]=4 10726 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|0,0,1]=3 10727 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|0,0,1]=3 10728 B11R0.4 CCCC(C)CCCOCC#N 7a_100011713154_100011215382 [0,2,0,0,0,0|1,0,1]=4 10729 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [0,2,0,0,0,0|0,0,0]=2 10730 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [0,2,0,0,0,0|0,0,0]=2 10731 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [0,2,0,0,0,0|1,0,1]=4 10732 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [0,2,0,0,0,0|1,0,1]=4 10733 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,2,0,0,0,0|0,0,2]=4 10734 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,2,0,0,0,0|0,0,2]=4 10735 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [0,2,0,0,0,0|2,0,0]=4 10736 B11R0.4 CCCC(C)CCOCCC#N 7a_100011217855_100000184422 [0,2,0,0,0,0|1,0,1]=4 10737 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [0,2,0,0,0,0|1,0,1]=4 10738 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [0,2,0,0,0,0|1,0,1]=4 10739 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,2,0,0,0,0|0,0,2]=4 10740 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,2,0,0,0,0|0,0,2]=4 10741 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,2,0,0,0,0|2,0,0]=4 10742 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,2,0,0,0,0|2,0,0]=4 10743 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [0,2,0,0,0,0|2,0,0]=4 10744 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [0,2,0,0,0,0|2,0,0]=4 10745 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,2,0,0,0,0|0,0,2]=4 10746 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,2,0,0,0,0|0,0,2]=4 10747 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,2,0,0,0,0|0,0,2]=4 10748 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,2,0,0,0,0|2,0,0]=4 10749 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,2,0,0,0,0|2,0,0]=4 10750 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [0,2,0,0,0,0|2,0,0]=4 10751 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [0,2,0,0,0,0|2,0,0]=4 10752 B11R0.4 CCCC(C)COCCCC#N 7a_100000688023_100000687738 [0,2,0,0,0,0|1,0,1]=4 10753 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,2,0,0,0,0|0,0,0]=2 10754 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,2,0,0,0,0|1,0,1]=4 10755 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,2,0,0,0,0|1,0,1]=4 10756 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,2,0,0,0,0|1,0,1]=4 10757 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,2,0,0,0,0|1,0,1]=4 10758 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,2,0,0,0,0|1,0,1]=4 10759 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,2,0,0,0,0|1,0,1]=4 10760 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,2,0,0,0,0|1,0,1]=4 10761 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,2,0,0,0,0|1,0,1]=4 10762 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,2,0,0,0,0|1,0,1]=4 10763 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,2,0,0,0,0|0,0,2]=4 10764 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,2,0,0,0,0|0,0,2]=4 10765 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,2,0,0,0,0|2,0,0]=4 10766 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,2,0,0,0,0|2,0,0]=4 10767 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,2,0,0,0,0|2,0,0]=4 10768 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,2,0,0,0,0|2,0,0]=4 10769 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,2,0,0,0,0|2,0,0]=4 10770 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,2,0,0,0,0|2,0,0]=4 10771 B11R0.4 CCCC(C)CSCCCC#N 62a_100000687738_100011216630 [0,2,0,0,0,0|1,0,1]=4 10772 B11R0.4 CCCC(C)CSCCCC#N 62a_100011216630_100000687738 [0,2,0,0,0,0|1,0,1]=4 10773 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,2,0,0,0,0|0,0,0]=2 10774 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,2,0,0,0,0|0,0,0]=2 10775 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [0,2,0,0,0,0|1,0,1]=4 10776 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [0,2,0,0,0,0|1,0,1]=4 10777 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,2,0,0,0,0|0,0,2]=4 10778 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,2,0,0,0,0|0,0,2]=4 10779 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,2,0,0,0,0|2,0,0]=4 10780 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,2,0,0,0,0|2,0,0]=4 10781 B11R0.4 CCCC(C)NCCCCC#N 2230a_100000741246_100000211819 [0,2,0,0,0,0|1,0,1]=4 10782 B11R0.4 CCCC(C)NCCCCC#N 270004a_100000751965_100000211909 [0,2,0,0,0,0|1,0,1]=4 10783 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,2,0,0,0,0|0,0,0]=2 10784 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,2,0,0,0,0|1,0,1]=4 10785 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,2,0,0,0,0|0,0,2]=4 10786 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,2,0,0,0,0|0,0,2]=4 10787 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,2,0,0,0,0|0,0,2]=4 10788 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,2,0,0,0,0|0,0,2]=4 10789 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,2,0,0,0,0|2,0,0]=4 10790 B11R0.4 CCCC(C)OCCCCC#N 7a_100000764384_100000211819 [0,2,0,0,0,0|1,0,1]=4 10791 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,2,0,0,0,0|0,0,0]=2 10792 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,2,0,0,0,0|1,0,1]=4 10793 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,2,0,0,0,0|1,0,1]=4 10794 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,2,0,0,0,0|1,0,1]=4 10795 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,2,0,0,0,0|1,0,1]=4 10796 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,2,0,0,0,0|1,0,1]=4 10797 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,2,0,0,0,0|1,0,1]=4 10798 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,2,0,0,0,0|1,0,1]=4 10799 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,2,0,0,0,0|1,0,1]=4 10800 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,2,0,0,0,0|1,0,1]=4 10801 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,2,0,0,0,0|0,0,2]=4 10802 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,2,0,0,0,0|0,0,2]=4 10803 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,2,0,0,0,0|2,0,0]=4 10804 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,2,0,0,0,0|2,0,0]=4 10805 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,2,0,0,0,0|2,0,0]=4 10806 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,2,0,0,0,0|2,0,0]=4 10807 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,2,0,0,0,0|2,0,0]=4 10808 B11R0.4 CCCC(C)SCCCCC#N 62a_100000766640_100000211819 [0,2,0,0,0,0|1,0,1]=4 10809 B11R0.4 CCCC(C)SCCCCC#N 62a_100011219923_100000766640 [0,2,0,0,0,0|1,0,1]=4 10810 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,2,0,0,0,0|0,0,0]=2 10811 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,2,0,0,0,0|0,0,0]=2 10812 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,2,0,0,0,0|1,0,1]=4 10813 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,2,0,0,0,0|1,0,1]=4 10814 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,2,0,0,0,0|0,0,2]=4 10815 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,2,0,0,0,0|0,0,2]=4 10816 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,2,0,0,0,0|2,0,0]=4 10817 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,2,0,0,0,0|2,0,0]=4 10818 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,2,0,0,0,0|1,0,1]=4 10819 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,2,0,0,0,0|1,0,1]=4 10820 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,2,0,0,0,0|1,0,1]=4 10821 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,2,0,0,0,0|1,0,1]=4 10822 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,2,0,0,0,0|1,0,1]=4 10823 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,1]=4 10824 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,1]=4 10825 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|1,0,1]=4 10826 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,2]=4 10827 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,2]=4 10828 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|2,0,0]=4 10829 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|2,0,0]=4 10830 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|1,0,1]=4 10831 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|1,0,1]=4 10832 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|1,0,1]=4 10833 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 10834 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 10835 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,2,0,0,0,0|1,0,1]=4 10836 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,2,0,0,0,0|1,0,1]=4 10837 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,2,0,0,0,0|1,0,1]=4 10838 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,2,0,0,0,0|1,0,1]=4 10839 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,2,0,0,0,0|1,0,1]=4 10840 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,2,0,0,0,0|1,0,1]=4 10841 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,2,0,0,0,0|1,0,1]=4 10842 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,2,0,0,0,0|1,0,1]=4 10843 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,2,0,0,0,0|1,0,1]=4 10844 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,2,0,0,0,0|0,0,0]=2 10845 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,2,0,0,0,0|0,0,0]=2 10846 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,2,0,0,0,0|1,0,1]=4 10847 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,2,0,0,0,0|1,0,1]=4 10848 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,2,0,0,0,0|1,0,1]=4 10849 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,2,0,0,0,0|1,0,1]=4 10850 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,2,0,0,0,0|1,0,1]=4 10851 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,2,0,0,0,0|1,0,1]=4 10852 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 10853 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 10854 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 10855 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 10856 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 10857 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 10858 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,2,0,0,0,0|2,0,0]=4 10859 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,2,0,0,0,0|2,0,0]=4 10860 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,2,0,0,0,0|1,0,1]=4 10861 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,2,0,0,0,0|1,0,1]=4 10862 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,2,0,0,0,0|1,0,1]=4 10863 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,2,0,0,0,0|1,0,1]=4 10864 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|0,0,2]=4 10865 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|2,0,0]=4 10866 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|2,0,0]=4 10867 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,2,0,0,0,0|2,0,0]=4 10868 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,2,0,0,0,0|1,0,1]=4 10869 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|0,0,2]=4 10870 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|0,0,2]=4 10871 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|2,0,0]=4 10872 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,2,0,0,0,0|1,0,1]=4 10873 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,2,0,0,0,0|1,0,1]=4 10874 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,2,0,0,0,0|1,0,1]=4 10875 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,2,0,0,0,0|1,0,1]=4 10876 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,2,0,0,0,0|1,0,1]=4 10877 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,2,0,0,0,0|1,0,1]=4 10878 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|0,0,2]=4 10879 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|0,0,2]=4 10880 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|2,0,0]=4 10881 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|2,0,0]=4 10882 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|2,0,0]=4 10883 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,2,0,0,0,0|1,0,1]=4 10884 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,2,0,0,0,0|1,0,1]=4 10885 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,2,0,0,0,0|1,0,1]=4 10886 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,2,0,0,0,0|1,0,1]=4 10887 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|0,0,2]=4 10888 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|0,0,2]=4 10889 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|2,0,0]=4 10890 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|2,0,0]=4 10891 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,2,0,0,0,0|1,0,1]=4 10892 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,2,0,0,0,0|1,0,1]=4 10893 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|2,0,0]=4 10894 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|2,0,0]=4 10895 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,2,0,0,0,0|1,0,1]=4 10896 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,2,0,0,0,0|1,0,1]=4 10897 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,2,0,0,0,0|1,0,1]=4 10898 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,2,0,0,0,0|1,0,1]=4 10899 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,2,0,0,0,0|1,0,1]=4 10900 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,2,0,0,0,0|1,0,1]=4 10901 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|2,0,0]=4 10902 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|2,0,0]=4 10903 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|2,0,0]=4 10904 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|1,0,1]=4 10905 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,2,0,0,0,0|1,0,1]=4 10906 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,2,0,0,0,0|1,0,1]=4 10907 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,2,0,0,0,0|1,0,1]=4 10908 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|2,0,0]=4 10909 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|2,0,0]=4 10910 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,2,0,0,0,0|1,0,1]=4 10911 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,2,0,0,0,0|1,0,1]=4 10912 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,2,0,0,0,0|1,0,1]=4 10913 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,2,0,0,0,0|1,0,1]=4 10914 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,2,0,0,0,0|1,0,1]=4 10915 B11R0.4 CCCN(C)CCCCCC#N 2230a_100000747261_100009813376 [0,2,0,0,0,0|1,0,1]=4 10916 B11R0.4 CCCN(C)CCCCCC#N 269982a_100000747261_100009813376 [0,2,0,0,0,0|1,0,1]=4 10917 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [0,2,0,0,0,0|0,0,0]=2 10918 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [0,2,0,0,0,0|0,0,0]=2 10919 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,2,0,0,0,0|1,0,1]=4 10920 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,2,0,0,0,0|1,0,1]=4 10921 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,2,0,0,0,0|0,0,2]=4 10922 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,2,0,0,0,0|0,0,2]=4 10923 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,2,0,0,0,0|1,0,1]=4 10924 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,2,0,0,0,0|1,0,1]=4 10925 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [0,2,0,0,0,0|1,0,1]=4 10926 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,2,0,0,0,0|0,0,2]=4 10927 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,2,0,0,0,0|2,0,0]=4 10928 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [0,2,0,0,0,0|2,0,0]=4 10929 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,2,0,0,0,0|1,0,1]=4 10930 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|0,0,2]=4 10931 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,2,0,0,0,0|2,0,0]=4 10932 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,2,0,0,0,0|1,0,1]=4 10933 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,2,0,0,0,0|1,0,1]=4 10934 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,2,0,0,0,0|1,0,1]=4 10935 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,2,0,0,0,0|1,0,1]=4 10936 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,2,0,0,0,0|1,0,1]=4 10937 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,2,0,0,0,0|1,0,1]=4 10938 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|1,0,1]=4 10939 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|1,0,1]=4 10940 B11R0.4 CN(CC#N)CCCCCC=O 2230a_100000748184_100000139337 [0,2,0,0,0,0|1,0,1]=4 10941 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [0,2,0,0,0,0|1,0,0]=3 10942 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [0,2,0,0,0,0|1,0,0]=3 10943 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [0,2,0,0,0,0|1,0,0]=3 10944 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [0,2,0,0,0,0|1,0,0]=3 10945 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [0,2,0,0,0,0|1,0,0]=3 10946 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [0,2,0,0,0,0|1,0,0]=3 10947 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [0,2,0,0,0,0|1,0,0]=3 10948 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [0,2,0,0,0,0|1,0,0]=3 10949 B11R0.4 C[C@@H](CC#N)NCCCCC=O 2230a_100016994482_100000139335 [0,2,0,0,0,0|1,0,1]=4 10950 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [0,2,0,0,0,0|1,0,0]=3 10951 B11R0.4 N#CC[C@H](O)CSCCCC=O 62a_100000001066_200011292268 [0,2,0,0,0,0|1,0,1]=4 10952 B11R0.4 N#CC[C@H](O)CSCCCC=O 62a_200011292268_100000001066 [0,2,0,0,0,0|1,0,1]=4 10953 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,2,0,0,0,0|1,0,1]=4 10954 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,2,0,0,0,0|1,0,1]=4 10955 B11R0.5 C=CCCC(C)NC(C)CCC 270004a_100000741246_100000762624 [0,2,0,0,0,0|2,0,0]=4 10956 B11R0.5 C=CCCC(C)OC(C)CCC 34a_100000765329_100000766640 [0,2,0,0,0,0|2,0,0]=4 10957 B11R0.5 C=CCCC(C)OC(C)CCC 7a_100000765329_100000766640 [0,2,0,0,0,0|2,0,0]=4 10958 B11R0.5 C=CCCN(C)CC(C)CCC 2230a_100020639649_100011216630 [0,2,0,0,0,0|2,0,0]=4 10959 B11R0.5 C=CCCN(C)CC(C)CCC 269982a_100020639649_100011216630 [0,2,0,0,0,0|2,0,0]=4 10960 B11R0.5 C=CCCN(C)CC(C)CCC 270004a_100020639649_100000243154 [0,2,0,0,0,0|2,0,0]=4 10961 B11R0.5 C=CC[C@@H](C)OC(C)CCCC 34a_100000731007_200011215066 [0,2,0,0,0,0|2,0,0]=4 10962 B11R0.5 C=CC[C@@H](C)OC(C)CCCC 7a_100000731007_200011215066 [0,2,0,0,0,0|2,0,0]=4 10963 B11R0.62 C=CCC(C)COC(C)CCC 34a_100009832082_100000766640 [0,2,0,0,0,0|2,0,0]=4 10964 B11R0.62 C=CCC(C)COC(C)CCC 7a_100009832082_100000766640 [0,2,0,0,0,0|2,0,0]=4 10965 B11R0.62 C=CC[C@@H](C)OCC(C)CCC 34a_100000731007_100011216630 [0,2,0,0,0,0|2,0,0]=4 10966 B11R0.62 C=CC[C@@H](C)OCC(C)CCC 7a_100000731007_100011216630 [0,2,0,0,0,0|2,0,0]=4 10967 B11R0.62 C=CC[C@@H](N)COC(C)CCC 34a_100020615467_100000766640 [0,2,0,0,0,0|2,0,0]=4 10968 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,2,0,0,0,0|1,0,1]=4 10969 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,2,0,0,0,0|1,0,1]=4 10970 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,2,0,0,0,0|1,0,1]=4 10971 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,2,0,0,0,0|1,0,1]=4 10972 B11R0.81 C#CCCCCN(C)CCCC 2230a_100000207549_100010269958 [0,2,0,0,0,0|1,0,1]=4 10973 B11R0.81 C#CCCCCN(C)CCCC 269982a_100000207549_100010269958 [0,2,0,0,0,0|1,0,1]=4 10974 B11R0.81 C#CCCCNC(C)CCCC 2230a_100000126638_100000731252 [0,2,0,0,0,0|1,0,1]=4 10975 B11R0.81 C#CCCCNC(C)CCCC 270004a_100000718082_100000210087 [0,2,0,0,0,0|1,0,1]=4 10976 B11R0.81 C#CCCCNC(C)CCCC 34a_100000718082_200011215066 [0,2,0,0,0,0|1,0,1]=4 10977 B11R0.81 C#CCCCOC(C)CCCC 34a_100000215630_200011215066 [0,2,0,0,0,0|1,0,1]=4 10978 B11R0.81 C#CCCCOC(C)CCCC 34a_100000687866_100000695029 [0,2,0,0,0,0|1,0,1]=4 10979 B11R0.81 C#CCCCOC(C)CCCC 7a_100000215630_200011215066 [0,2,0,0,0,0|1,0,1]=4 10980 B11R0.81 C#CCCCOC(C)CCCC 7a_100000687866_100011215417 [0,2,0,0,0,0|1,0,1]=4 10981 B11R0.81 C#CCCCSC(C)CCCC 62a_100011215417_200011215066 [0,2,0,0,0,0|1,0,1]=4 10982 B11R0.81 C#CCCCSC(C)CCCC 62a_200011215066_100011215417 [0,2,0,0,0,0|1,0,1]=4 10983 B11R0.81 C#CCCN(C)CCCCCC 2230a_106256046315_100000688953 [0,2,0,0,0,0|1,0,1]=4 10984 B11R0.81 C#CCCN(C)CCCCCC 269982a_106256046315_100000730999 [0,2,0,0,0,0|1,0,1]=4 10985 B11R0.81 C#CCCOCC(C)CCCC 34a_100011995851_100000688953 [0,2,0,0,0,0|1,0,1]=4 10986 B11R0.81 C#CCCOCC(C)CCCC 7a_100011995851_100000688953 [0,2,0,0,0,0|1,0,1]=4 10987 B11R0.81 C#CCCOC[C@@H](N)CCCC 34a_100011934283_100000688953 [0,2,0,0,0,0|1,0,1]=4 10988 B11R0.81 C#CCNC(C)CCCCCC 2230a_100000210919_100000038162 [0,2,0,0,0,0|1,0,1]=4 10989 B11R0.81 C#CCNC(C)CCCCCC 34a_100000210919_100000184674 [0,2,0,0,0,0|1,0,1]=4 10990 B11R0.81 C#CCNC(C)CCCCCC 34a_100000212058_100011215978 [0,2,0,0,0,0|1,0,1]=4 10991 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,2,0,0,0,0|1,0,1]=4 10992 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,2,0,0,0,0|1,0,1]=4 10993 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,2,0,0,0,0|1,0,1]=4 10994 B11R0.81 C#CCSC(C)CCCCCC 62a_100000038162_100011215978 [0,2,0,0,0,0|1,0,1]=4 10995 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,2,0,0,0,0|1,0,1]=4 10996 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [0,2,0,0,0,0|1,0,1]=4 10997 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [0,2,0,0,0,0|1,0,1]=4 10998 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [0,2,0,0,0,0|1,0,1]=4 10999 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [0,2,0,0,0,0|1,0,1]=4 11000 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [0,2,0,0,0,0|1,0,1]=4 11001 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,2,0,0,0,0|1,0,0]=3 11002 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,2,0,0,0,0|1,0,0]=3 11003 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,2,0,0,0,0|1,0,1]=4 11004 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,2,0,0,0,0|1,0,1]=4 11005 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,2,0,0,0,0|1,0,1]=4 11006 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,2,0,0,0,0|1,0,1]=4 11007 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,2,0,0,0,0|1,0,1]=4 11008 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,2,0,0,0,0|1,0,1]=4 11009 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,2,0,0,0,0|1,0,1]=4 11010 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,2,0,0,0,0|1,0,1]=4 11011 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,2,0,0,0,0|1,0,1]=4 11012 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 11013 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 11014 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 11015 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 11016 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,2,0,0,0,0|1,0,0]=3 11017 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [0,2,0,0,0,0|2,0,0]=4 11018 B11R0.81 C=CCCC(C)NCCCOC 270004a_100150723488_100000762624 [0,2,0,0,0,0|2,0,0]=4 11019 B11R0.81 C=CCCC(C)NCCCSC 270004a_100000749238_100000762624 [0,2,0,0,0,0|2,0,0]=4 11020 B11R0.81 C=CCCC(C)NCCOCC 270004a_102516460346_100000762624 [0,2,0,0,0,0|2,0,0]=4 11021 B11R0.81 C=CCCC(C)NCCSCC 270004a_100000106463_100000762624 [0,2,0,0,0,0|2,0,0]=4 11022 B11R0.81 C=CCCC(C)OCCCC=O 7a_100000765329_200011292268 [0,2,0,0,0,0|0,0,2]=4 11023 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,2,0,0,0,0|1,0,0]=3 11024 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,2,0,0,0,0|1,0,0]=3 11025 B11R0.81 C=CCCC(C)OCCCCF 34a_100000765329_100000729493 [0,2,0,0,0,0|2,0,0]=4 11026 B11R0.81 C=CCCC(C)OCCCCF 7a_100000765329_100000729493 [0,2,0,0,0,0|2,0,0]=4 11027 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [0,2,0,0,0,0|2,0,0]=4 11028 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [0,2,0,0,0,0|2,0,0]=4 11029 B11R0.81 C=CCCC(C)OCCCOC 34a_100000765329_100000740836 [0,2,0,0,0,0|2,0,0]=4 11030 B11R0.81 C=CCCC(C)OCCCOC 7a_100000765329_100000740836 [0,2,0,0,0,0|2,0,0]=4 11031 B11R0.81 C=CCCC(C)OCCOCC 34a_100000765329_100000210147 [0,2,0,0,0,0|2,0,0]=4 11032 B11R0.81 C=CCCC(C)OCCOCC 7a_100000765329_100011215890 [0,2,0,0,0,0|2,0,0]=4 11033 B11R0.81 C=CCCC(C)OCCSCC 34a_100000765329_100000757381 [0,2,0,0,0,0|2,0,0]=4 11034 B11R0.81 C=CCCC(C)OCCSCC 7a_100000765329_100000757381 [0,2,0,0,0,0|2,0,0]=4 11035 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|1,0,0]=3 11036 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|1,0,0]=3 11037 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,2,0,0,0,0|1,0,1]=4 11038 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|1,0,1]=4 11039 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,2,0,0,0,0|1,0,1]=4 11040 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,2,0,0,0,0|1,0,1]=4 11041 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,2,0,0,0,0|1,0,1]=4 11042 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,2,0,0,0,0|1,0,1]=4 11043 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,2,0,0,0,0|1,0,1]=4 11044 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,2,0,0,0,0|1,0,1]=4 11045 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 11046 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 11047 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 11048 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 11049 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [0,2,0,0,0,0|1,0,0]=3 11050 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [0,2,0,0,0,0|1,0,0]=3 11051 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [0,2,0,0,0,0|1,0,0]=3 11052 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [0,2,0,0,0,0|1,0,0]=3 11053 B11R0.81 C=CCCCCN(C)CCCF 2230a_100012000471_100011934791 [0,2,0,0,0,0|2,0,0]=4 11054 B11R0.81 C=CCCCCN(C)CCCF 269982a_100012000471_100011934791 [0,2,0,0,0,0|2,0,0]=4 11055 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [0,2,0,0,0,0|2,0,0]=4 11056 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [0,2,0,0,0,0|2,0,0]=4 11057 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [0,2,0,0,0,0|2,0,0]=4 11058 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [0,2,0,0,0,0|2,0,0]=4 11059 B11R0.81 C=CCCCCN(C)CCOC 2230a_100000743101_100011215482 [0,2,0,0,0,0|2,0,0]=4 11060 B11R0.81 C=CCCCCN(C)CCOC 2230a_100012000471_100011201679 [0,2,0,0,0,0|2,0,0]=4 11061 B11R0.81 C=CCCCCN(C)CCOC 269982a_100000743101_100011215482 [0,2,0,0,0,0|2,0,0]=4 11062 B11R0.81 C=CCCCCN(C)CCOC 269982a_100012000471_100000233755 [0,2,0,0,0,0|2,0,0]=4 11063 B11R0.81 C=CCCCCN(C)CCSC 2230a_100000686725_100011215482 [0,2,0,0,0,0|2,0,0]=4 11064 B11R0.81 C=CCCCCN(C)CCSC 2230a_100012000471_100000751147 [0,2,0,0,0,0|2,0,0]=4 11065 B11R0.81 C=CCCCCN(C)CCSC 269982a_100000686725_100011215482 [0,2,0,0,0,0|2,0,0]=4 11066 B11R0.81 C=CCCCCN(C)CCSC 269982a_100012000471_100000212216 [0,2,0,0,0,0|2,0,0]=4 11067 B11R0.81 C=CCCCCN(C)COCC 269982a_100012000471_100000739092 [0,2,0,0,0,0|2,0,0]=4 11068 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [0,2,0,0,0,0|1,0,1]=4 11069 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [0,2,0,0,0,0|1,0,1]=4 11070 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [0,2,0,0,0,0|1,0,1]=4 11071 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [0,2,0,0,0,0|1,0,1]=4 11072 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [0,2,0,0,0,0|1,0,0]=3 11073 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [0,2,0,0,0,0|1,0,0]=3 11074 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [0,2,0,0,0,0|1,0,0]=3 11075 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [0,2,0,0,0,0|1,0,0]=3 11076 B11R0.81 C=CCCCNC(C)CCOC 270004a_100000700776_100000742357 [0,2,0,0,0,0|2,0,0]=4 11077 B11R0.81 C=CCCCNC(C)CCSC 270004a_100000700776_100011217047 [0,2,0,0,0,0|2,0,0]=4 11078 B11R0.81 C=CCCCNC(C)CSCC 270004a_100000700776_200011216171 [0,2,0,0,0,0|2,0,0]=4 11079 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [0,2,0,0,0,0|1,0,0]=3 11080 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [0,2,0,0,0,0|1,0,0]=3 11081 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [0,2,0,0,0,0|1,0,0]=3 11082 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [0,2,0,0,0,0|1,0,0]=3 11083 B11R0.81 C=CCCCOC(C)CCCCl 34a_200000718107_100000757094 [0,2,0,0,0,0|2,0,0]=4 11084 B11R0.81 C=CCCCOC(C)CCCCl 7a_200000718107_100000757094 [0,2,0,0,0,0|2,0,0]=4 11085 B11R0.81 C=CCCCOC(C)COCC 34a_100000718985_100000757094 [0,2,0,0,0,0|2,0,0]=4 11086 B11R0.81 C=CCCCOC(C)COCC 7a_100000718985_100000757094 [0,2,0,0,0,0|2,0,0]=4 11087 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [0,2,0,0,0,0|1,0,0]=3 11088 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [0,2,0,0,0,0|1,0,0]=3 11089 B11R0.81 C=CCCN(C)CCCCC=O 2230a_100020639649_100000139335 [0,2,0,0,0,0|0,0,2]=4 11090 B11R0.81 C=CCCN(C)CCCCC=O 269982a_100020639649_100000139335 [0,2,0,0,0,0|0,0,2]=4 11091 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,2,0,0,0,0|1,0,0]=3 11092 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,2,0,0,0,0|1,0,0]=3 11093 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,2,0,0,0,0|1,0,0]=3 11094 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,2,0,0,0,0|1,0,0]=3 11095 B11R0.81 C=CCCN(C)CCCCCF 2230a_100020639649_100000729378 [0,2,0,0,0,0|2,0,0]=4 11096 B11R0.81 C=CCCN(C)CCCCCF 269982a_100020639649_100000729378 [0,2,0,0,0,0|2,0,0]=4 11097 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [0,2,0,0,0,0|2,0,0]=4 11098 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [0,2,0,0,0,0|2,0,0]=4 11099 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [0,2,0,0,0,0|2,0,0]=4 11100 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [0,2,0,0,0,0|2,0,0]=4 11101 B11R0.81 C=CCCN(C)CCCCOC 2230a_100020639649_100000730899 [0,2,0,0,0,0|2,0,0]=4 11102 B11R0.81 C=CCCN(C)CCCCOC 269982a_100020639649_100000730899 [0,2,0,0,0,0|2,0,0]=4 11103 B11R0.81 C=CCCN(C)CCCOCC 2230a_100020639649_100012232248 [0,2,0,0,0,0|2,0,0]=4 11104 B11R0.81 C=CCCN(C)CCCOCC 269982a_100020639649_100012232248 [0,2,0,0,0,0|2,0,0]=4 11105 B11R0.81 C=CCCN(C)CCOCCC 2230a_100020639649_100011215938 [0,2,0,0,0,0|2,0,0]=4 11106 B11R0.81 C=CCCN(C)CCOCCC 269982a_100020639649_100011215938 [0,2,0,0,0,0|2,0,0]=4 11107 B11R0.81 C=CCCN(C)COCCCC 2230a_100020639649_100011995733 [0,2,0,0,0,0|2,0,0]=4 11108 B11R0.81 C=CCCN(C)COCCCC 269982a_100020639649_100011995733 [0,2,0,0,0,0|2,0,0]=4 11109 B11R0.81 C=CCCNCC(C)OCCC 2230a_100015185124_100000754431 [0,2,0,0,0,0|2,0,0]=4 11110 B11R0.81 C=CCCNCC(C)OCCC 34a_100015185124_100000754431 [0,2,0,0,0,0|2,0,0]=4 11111 B11R0.81 C=CCCNCC(O)COCC 2230a_102515437182_100000754431 [0,2,0,0,0,0|2,0,0]=4 11112 B11R0.81 C=CCCNCC(O)COCC 34a_102515437182_100000754431 [0,2,0,0,0,0|2,0,0]=4 11113 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [0,2,0,0,0,0|2,0,0]=4 11114 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [0,2,0,0,0,0|2,0,0]=4 11115 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [0,2,0,0,0,0|1,0,0]=3 11116 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [0,2,0,0,0,0|1,0,0]=3 11117 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [0,2,0,0,0,0|1,0,0]=3 11118 B11R0.81 C=CCCOC[C@@H](N)CCSC 34a_100011827619_100000754431 [0,2,0,0,0,0|2,0,0]=4 11119 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 11120 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 11121 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 11122 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,2,0,0,0,0|1,0,0]=3 11123 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,2,0,0,0,0|1,0,0]=3 11124 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,2,0,0,0,0|1,0,0]=3 11125 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,2,0,0,0,0|1,0,0]=3 11126 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,2,0,0,0,0|1,0,0]=3 11127 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,2,0,0,0,0|1,0,0]=3 11128 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,2,0,0,0,0|1,0,0]=3 11129 B11R0.81 C=CCOC(C)COCCCC 34a_100011217071_100015514636 [0,2,0,0,0,0|2,0,0]=4 11130 B11R0.81 C=CCOC(C)COCCCC 7a_100011217071_100015514636 [0,2,0,0,0,0|2,0,0]=4 11131 B11R0.81 C=CCOCCC(=O)CCCC 1458a_200011217002_100000210211 [0,2,0,0,0,0|1,0,1]=4 11132 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,2,0,0,0,0|1,0,0]=3 11133 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,2,0,0,0,0|1,0,0]=3 11134 B11R0.81 C=COCCNC(C)CCCC 2230a_100000126638_100000039644 [0,2,0,0,0,0|2,0,0]=4 11135 B11R0.81 C=COCCOC(C)CCCC 34a_100000033082_200011215066 [0,2,0,0,0,0|2,0,0]=4 11136 B11R0.81 C=COCCOC(C)CCCC 34a_100000687866_100000039644 [0,2,0,0,0,0|2,0,0]=4 11137 B11R0.81 C=COCCOC(C)CCCC 7a_100000687866_100000039644 [0,2,0,0,0,0|2,0,0]=4 11138 B11R0.81 C=COCCSC(C)CCCC 62a_100000039644_200011215066 [0,2,0,0,0,0|2,0,0]=4 11139 B11R0.81 C=COCCSC(C)CCCC 62a_200011215066_100000039644 [0,2,0,0,0,0|2,0,0]=4 11140 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [0,2,0,0,0,0|1,0,0]=3 11141 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,2,0,0,0,0|1,0,1]=4 11142 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,2,0,0,0,0|1,0,1]=4 11143 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [0,2,0,0,0,0|1,0,1]=4 11144 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [0,2,0,0,0,0|1,0,1]=4 11145 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [0,2,0,0,0,0|1,0,1]=4 11146 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [0,2,0,0,0,0|1,0,1]=4 11147 B11R0.81 CCC#CC(C)OCCCC=O 7a_100000033903_200011292268 [0,2,0,0,0,0|0,0,2]=4 11148 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,2,0,0,0,0|1,0,1]=4 11149 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,1]=4 11150 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|0,0,2]=4 11151 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|0,0,2]=4 11152 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,2,0,0,0,0|2,0,0]=4 11153 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,2,0,0,0,0|0,0,2]=4 11154 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,2,0,0,0,0|0,0,2]=4 11155 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,2,0,0,0,0|0,0,2]=4 11156 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,2,0,0,0,0|0,0,2]=4 11157 B11R0.81 CCCCC(C)COCCC#N 7a_100011995851_100000184422 [0,2,0,0,0,0|1,0,1]=4 11158 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [0,2,0,0,0,0|1,0,1]=4 11159 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [0,2,0,0,0,0|1,0,1]=4 11160 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,2,0,0,0,0|0,0,2]=4 11161 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,2,0,0,0,0|0,0,2]=4 11162 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,2,0,0,0,0|2,0,0]=4 11163 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,2,0,0,0,0|2,0,0]=4 11164 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [0,2,0,0,0,0|2,0,0]=4 11165 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [0,2,0,0,0,0|2,0,0]=4 11166 B11R0.81 CCCCC(C)NCCCC#N 2230a_100000126638_100000687738 [0,2,0,0,0,0|1,0,1]=4 11167 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,2,0,0,0,0|0,0,0]=2 11168 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [0,2,0,0,0,0|1,0,1]=4 11169 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,2,0,0,0,0|0,0,2]=4 11170 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,2,0,0,0,0|0,0,2]=4 11171 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,2,0,0,0,0|0,0,2]=4 11172 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,2,0,0,0,0|0,0,2]=4 11173 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [0,2,0,0,0,0|2,0,0]=4 11174 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [0,2,0,0,0,0|2,0,0]=4 11175 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [0,2,0,0,0,0|2,0,0]=4 11176 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [0,2,0,0,0,0|2,0,0]=4 11177 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [0,2,0,0,0,0|2,0,0]=4 11178 B11R0.81 CCCCC(C)OCCCC#N 7a_100000687866_100000687738 [0,2,0,0,0,0|1,0,1]=4 11179 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,2,0,0,0,0|0,0,0]=2 11180 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [0,2,0,0,0,0|1,0,1]=4 11181 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [0,2,0,0,0,0|1,0,1]=4 11182 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [0,2,0,0,0,0|1,0,1]=4 11183 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [0,2,0,0,0,0|1,0,1]=4 11184 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [0,2,0,0,0,0|1,0,1]=4 11185 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [0,2,0,0,0,0|1,0,1]=4 11186 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [0,2,0,0,0,0|1,0,1]=4 11187 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [0,2,0,0,0,0|1,0,1]=4 11188 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [0,2,0,0,0,0|1,0,1]=4 11189 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,2,0,0,0,0|0,0,2]=4 11190 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,2,0,0,0,0|0,0,2]=4 11191 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [0,2,0,0,0,0|2,0,0]=4 11192 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,2,0,0,0,0|2,0,0]=4 11193 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,2,0,0,0,0|2,0,0]=4 11194 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,2,0,0,0,0|2,0,0]=4 11195 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [0,2,0,0,0,0|2,0,0]=4 11196 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [0,2,0,0,0,0|2,0,0]=4 11197 B11R0.81 CCCCC(C)SCCCC#N 62a_100000687738_200011215066 [0,2,0,0,0,0|1,0,1]=4 11198 B11R0.81 CCCCC(C)SCCCC#N 62a_200011215066_100000687738 [0,2,0,0,0,0|1,0,1]=4 11199 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,2,0,0,0,0|0,0,0]=2 11200 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,2,0,0,0,0|0,0,0]=2 11201 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [0,2,0,0,0,0|1,0,1]=4 11202 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [0,2,0,0,0,0|1,0,1]=4 11203 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,2,0,0,0,0|0,0,2]=4 11204 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,2,0,0,0,0|0,0,2]=4 11205 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [0,2,0,0,0,0|2,0,0]=4 11206 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [0,2,0,0,0,0|2,0,0]=4 11207 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,2,0,0,0,0|1,0,1]=4 11208 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,2,0,0,0,0|1,0,1]=4 11209 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|1,0,1]=4 11210 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|1,0,1]=4 11211 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|1,0,1]=4 11212 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|0,0,2]=4 11213 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|2,0,0]=4 11214 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|2,0,0]=4 11215 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|2,0,0]=4 11216 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|2,0,0]=4 11217 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|0,0,2]=4 11218 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|0,0,2]=4 11219 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|0,0,2]=4 11220 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|0,0,2]=4 11221 B11R0.81 CCCCCCC(C)NCC#N 2230a_100000210919_100011215382 [0,2,0,0,0,0|1,0,1]=4 11222 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,2,0,0,0,0|0,0,0]=2 11223 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,2,0,0,0,0|0,0,0]=2 11224 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,2,0,0,0,0|1,0,1]=4 11225 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,2,0,0,0,0|1,0,1]=4 11226 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,2,0,0,0,0|1,0,1]=4 11227 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,2,0,0,0,0|1,0,1]=4 11228 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,2,0,0,0,0|1,0,1]=4 11229 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,2,0,0,0,0|1,0,1]=4 11230 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 11231 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|0,0,2]=4 11232 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|0,0,2]=4 11233 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 11234 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|0,0,2]=4 11235 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,2,0,0,0,0|2,0,0]=4 11236 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,2,0,0,0,0|2,0,0]=4 11237 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,2,0,0,0,0|2,0,0]=4 11238 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,2,0,0,0,0|1,0,1]=4 11239 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,2,0,0,0,0|0,0,0]=2 11240 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,2,0,0,0,0|0,0,0]=2 11241 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,2,0,0,0,0|1,0,1]=4 11242 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,2,0,0,0,0|1,0,1]=4 11243 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,2,0,0,0,0|1,0,1]=4 11244 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,2,0,0,0,0|1,0,1]=4 11245 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,2,0,0,0,0|1,0,1]=4 11246 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,2,0,0,0,0|1,0,1]=4 11247 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,2,0,0,0,0|1,0,1]=4 11248 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|0,0,2]=4 11249 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|0,0,2]=4 11250 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,2,0,0,0,0|2,0,0]=4 11251 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215382_100011215978 [0,2,0,0,0,0|1,0,1]=4 11252 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215978_100011215382 [0,2,0,0,0,0|1,0,1]=4 11253 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,2,0,0,0,0|0,0,0]=2 11254 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,2,0,0,0,0|0,0,0]=2 11255 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,2,0,0,0,0|1,0,1]=4 11256 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,2,0,0,0,0|1,0,1]=4 11257 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,2,0,0,0,0|1,0,1]=4 11258 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,2,0,0,0,0|1,0,1]=4 11259 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|0,0,2]=4 11260 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|0,0,2]=4 11261 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,2,0,0,0,0|2,0,0]=4 11262 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,2,0,0,0,0|2,0,0]=4 11263 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,2,0,0,0,0|2,0,0]=4 11264 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,2,0,0,0,0|2,0,0]=4 11265 B11R0.81 CCCCCCN(C)CCC#N 2230a_100000184479_100000210314 [0,2,0,0,0,0|1,0,1]=4 11266 B11R0.81 CCCCCCN(C)CCC#N 2230a_106256046315_100011215226 [0,2,0,0,0,0|1,0,1]=4 11267 B11R0.81 CCCCCCN(C)CCC#N 2230a_200000177771_200000210301 [0,2,0,0,0,0|1,0,1]=4 11268 B11R0.81 CCCCCCN(C)CCC#N 269982a_106256046315_100011215226 [0,2,0,0,0,0|1,0,1]=4 11269 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,2,0,0,0,0|1,0,1]=4 11270 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,2,0,0,0,0|1,0,1]=4 11271 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,2,0,0,0,0|1,0,1]=4 11272 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,2,0,0,0,0|1,0,1]=4 11273 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,2,0,0,0,0|1,0,1]=4 11274 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,2,0,0,0,0|1,0,1]=4 11275 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,2,0,0,0,0|1,0,1]=4 11276 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,2,0,0,0,0|1,0,1]=4 11277 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|0,0,2]=4 11278 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|0,0,2]=4 11279 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|0,0,2]=4 11280 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|0,0,2]=4 11281 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,2,0,0,0,0|2,0,0]=4 11282 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,2,0,0,0,0|2,0,0]=4 11283 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,2,0,0,0,0|2,0,0]=4 11284 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,2,0,0,0,0|2,0,0]=4 11285 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,2,0,0,0,0|2,0,0]=4 11286 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,2,0,0,0,0|2,0,0]=4 11287 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,2,0,0,0,0|2,0,0]=4 11288 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,2,0,0,0,0|2,0,0]=4 11289 B11R0.81 CCCCCCN([13CH3])CCC#N 2230a_200000177771_200025704644 [0,2,0,0,0,0|1,0,1]=4 11290 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,2,0,0,0,0|1,0,1]=4 11291 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,2,0,0,0,0|1,0,1]=4 11292 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,2,0,0,0,0|1,0,1]=4 11293 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,2,0,0,0,0|1,0,1]=4 11294 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,2,0,0,0,0|1,0,1]=4 11295 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,2,0,0,0,0|2,0,0]=4 11296 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [0,2,0,0,0,0|2,0,0]=4 11297 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,2,0,0,0,0|1,0,1]=4 11298 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,2,0,0,0,0|1,0,1]=4 11299 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,2,0,0,0,0|1,0,1]=4 11300 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,2,0,0,0,0|1,0,1]=4 11301 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,2,0,0,0,0|1,0,1]=4 11302 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,2,0,0,0,0|1,0,1]=4 11303 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,2,0,0,0,0|1,0,1]=4 11304 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,2,0,0,0,0|1,0,1]=4 11305 B11R0.81 CCCCN(C)CCCCC#N 2230a_100000207549_100000211819 [0,2,0,0,0,0|1,0,1]=4 11306 B11R0.81 CCCCN(C)CCCCC#N 269982a_100000207549_100011219923 [0,2,0,0,0,0|1,0,1]=4 11307 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,2,0,0,0,0|0,0,0]=2 11308 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,2,0,0,0,0|0,0,0]=2 11309 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [0,2,0,0,0,0|1,0,1]=4 11310 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [0,2,0,0,0,0|1,0,1]=4 11311 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,2,0,0,0,0|0,0,2]=4 11312 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,2,0,0,0,0|0,0,2]=4 11313 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,2,0,0,0,0|0,0,2]=4 11314 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,2,0,0,0,0|0,0,2]=4 11315 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [0,2,0,0,0,0|2,0,0]=4 11316 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [0,2,0,0,0,0|2,0,0]=4 11317 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,2,0,0,0,0|0,0,2]=4 11318 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,2,0,0,0,0|0,0,2]=4 11319 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [0,2,0,0,0,0|1,0,1]=4 11320 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [0,2,0,0,0,0|1,0,1]=4 11321 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,2,0,0,0,0|1,0,0]=3 11322 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,2,0,0,0,0|1,0,0]=3 11323 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [0,2,0,0,0,0|1,0,1]=4 11324 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [0,2,0,0,0,0|2,0,0]=4 11325 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [0,2,0,0,0,0|1,0,1]=4 11326 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|0,0,2]=4 11327 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,2,0,0,0,0|2,0,0]=4 11328 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [0,2,0,0,0,0|2,0,0]=4 11329 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [0,2,0,0,0,0|1,0,0]=3 11330 B11R0.81 CN(CCC#N)CCCCC=O 2230a_100000184479_100000139335 [0,2,0,0,0,0|1,0,1]=4 11331 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [0,2,0,0,0,0|1,0,0]=3 11332 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [0,2,0,0,0,0|1,0,0]=3 11333 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [0,2,0,0,0,0|1,0,0]=3 11334 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [0,2,0,0,0,0|1,0,0]=3 11335 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [0,2,0,0,0,0|1,0,0]=3 11336 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [0,2,0,0,0,0|1,0,0]=3 11337 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,2,0,0,0,0|1,0,1]=4 11338 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,2,0,0,0,0|1,0,1]=4 11339 B11R0.142 C=CC(C)N(C)CCCCCC 269982a_106256046315_100011215867 [0,2,0,0,0,0|2,0,0]=4 11340 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,2,0,0,0,0|1,0,1]=4 11341 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,2,0,0,0,0|1,0,1]=4 11342 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,2,0,0,0,0|1,0,1]=4 11343 B11R0.142 C=CCCCCN(C)C(C)CC 2230a_100000741768_100011215482 [0,2,0,0,0,0|2,0,0]=4 11344 B11R0.142 C=CCCCCN(C)C(C)CC 2230a_100012000471_100000758301 [0,2,0,0,0,0|2,0,0]=4 11345 B11R0.142 C=CCCCCN(C)C(C)CC 269982a_100000741768_100011215482 [0,2,0,0,0,0|2,0,0]=4 11346 B11R0.142 C=CCCCCN(C)C(C)CC 269982a_100012000471_100000758301 [0,2,0,0,0,0|2,0,0]=4 11347 B11R0.142 C=CCCCNC(C)C(C)CC 269862a_100000700776_100000210599 [0,2,0,0,0,0|2,0,0]=4 11348 B11R0.142 C=CCCCNC(C)C(C)CC 270004a_100000700776_100000210599 [0,2,0,0,0,0|2,0,0]=4 11349 B11R0.142 C=CCCCOC(C)C(C)CC 7a_100011215189_100000757094 [0,2,0,0,0,0|2,0,0]=4 11350 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 34a_100015455354_100000718602 [0,2,0,0,0,0|2,0,0]=4 11351 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 7a_100015455354_100000210326 [0,2,0,0,0,0|2,0,0]=4 11352 B11R0.142 CC(CO)N(C)CCCCC=O 2230a_100000693034_100000139335 [0,2,0,0,0,0|2,0,0]=4 11353 B11R0.142 CC(CO)N(C)CCCCC=O 269982a_100000693034_100000139335 [0,2,0,0,0,0|2,0,0]=4 11354 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_100000742827_200011292268 [0,2,0,0,0,0|1,0,1]=4 11355 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_200011292268_100000742827 [0,2,0,0,0,0|1,0,1]=4 11356 B11R0.142 CCC(C)C(C)OCCCC=O 7a_100011215189_200011292268 [0,2,0,0,0,0|1,0,0]=3 11357 B11R0.142 CCC(C)N(C)CCCCC=O 2230a_100000741768_100000139335 [0,2,0,0,0,0|1,0,0]=3 11358 B11R0.142 CCC(C)N(C)CCCCC=O 269982a_100000741768_100000139335 [0,2,0,0,0,0|1,0,0]=3 11359 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,2,0,0,0,0|1,0,1]=4 11360 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,2,0,0,0,0|1,0,1]=4 11361 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [0,2,0,0,0,0|1,0,1]=4 11362 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000210906_100000757094 [0,2,0,0,0,0|1,0,1]=4 11363 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000766728_100000766640 [0,2,0,0,0,0|1,0,1]=4 11364 B11R0.155 C=CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000757094 [0,2,0,0,0,0|1,0,1]=4 11365 B11R0.155 C=CCCNC(C)C(C)CCC 270004a_100015191253_100011216282 [0,2,0,0,0,0|2,0,0]=4 11366 B11R0.155 C=CCCOC(C)C(C)CCC 34a_100000708338_100000754431 [0,2,0,0,0,0|2,0,0]=4 11367 B11R0.155 C=CCCOC(C)C(C)CCC 7a_100000708338_100000754431 [0,2,0,0,0,0|2,0,0]=4 11368 B11R0.155 C=CCN(C)C(C)CCCCC 2230a_100000225617_200011218191 [0,2,0,0,0,0|2,0,0]=4 11369 B11R0.155 C=CCN(C)C(C)CCCCC 269982a_100000225617_200011218191 [0,2,0,0,0,0|2,0,0]=4 11370 B11R0.155 C=CCN(C)C(C)CCCCC 270004a_100000225617_100000211708 [0,2,0,0,0,0|2,0,0]=4 11371 B11R0.155 CC(CCO)N(C)CCCC=O 2230a_100000731037_200011292268 [0,2,0,0,0,0|2,0,0]=4 11372 B11R0.155 CC(CCO)N(C)CCCC=O 269982a_100000731037_200011292268 [0,2,0,0,0,0|2,0,0]=4 11373 B11R0.161 C#CC(CCC)OCCCC=C 34a_200011217317_100000757094 [0,2,0,0,0,0|2,0,0]=4 11374 B11R0.161 C#CC(CCC)OCCCC=C 7a_200011217317_100000757094 [0,2,0,0,0,0|2,0,0]=4 11375 B11R0.161 C#CC(CCC)OCCCC=O 7a_200011217317_200011292268 [0,2,0,0,0,0|1,0,0]=3 11376 B11R0.161 C=CC(CCC)OCCCC=O 7a_100011216692_200011292268 [0,2,0,0,0,0|1,0,0]=3 11377 B11R0.161 C=CCC(C=C)OCCCCC 34a_100000038011_100000718602 [0,2,0,0,0,0|2,0,0]=4 11378 B11R0.161 C=CCC(C=C)OCCCCC 7a_100000038011_100000210326 [0,2,0,0,0,0|2,0,0]=4 11379 B11R0.161 C=CCCCCN(CC)CCC 2230a_100000226822_100011215482 [0,2,0,0,0,0|2,0,0]=4 11380 B11R0.161 C=CCCCCN(CC)CCC 269982a_100000226822_100011215482 [0,2,0,0,0,0|2,0,0]=4 11381 B11R0.161 C=CCCCNC(CC)CCC 2230a_100000747048_100011713584 [0,2,0,0,0,0|2,0,0]=4 11382 B11R0.161 C=CCCCNC(CC)CCC 270004a_100000700776_100000687865 [0,2,0,0,0,0|2,0,0]=4 11383 B11R0.161 C=CCCCN[C@H](CO)CCC 2230a_100000732646_100011713584 [0,2,0,0,0,0|2,0,0]=4 11384 B11R0.161 C=CCCCN[C@H](CO)CCC 34a_100000732646_100000757094 [0,2,0,0,0,0|2,0,0]=4 11385 B11R0.161 C=CCCCOC(C#N)CCC 34a_100000686963_100000757094 [0,2,0,0,0,0|2,0,0]=4 11386 B11R0.161 C=CCCCOC(C#N)CCC 7a_100000686963_100000757094 [0,2,0,0,0,0|2,0,0]=4 11387 B11R0.161 C=CCCCOC(C=C)CCC 34a_100011216692_100000757094 [0,2,0,0,0,0|2,0,0]=4 11388 B11R0.161 C=CCCCOC(C=C)CCC 7a_100011216692_100000757094 [0,2,0,0,0,0|2,0,0]=4 11389 B11R0.161 C=CCCCOC(CC)CCC 34a_100000687864_100000757094 [0,2,0,0,0,0|2,0,0]=4 11390 B11R0.161 C=CCCCOC(CC)CCC 7a_100000687864_100000757094 [0,2,0,0,0,0|2,0,0]=4 11391 B11R0.161 C=CCCCOC(CC)CCC 7a_100000758997_100011219200 [0,2,0,0,0,0|2,0,0]=4 11392 B11R0.161 C=CCCCSC(CC)CCC 62a_100011219200_100000757094 [0,2,0,0,0,0|2,0,0]=4 11393 B11R0.161 C=CCCCSC(CC)CCC 62a_100011713584_100011219200 [0,2,0,0,0,0|2,0,0]=4 11394 B11R0.161 C=CCOCCC(CCC)SC 34a_100000032865_100015514636 [0,2,0,0,0,0|2,0,0]=4 11395 B11R0.161 C=CCOCCC(CCC)SC 7a_100000032865_100015514636 [0,2,0,0,0,0|2,0,0]=4 11396 B11R0.161 C=CC[C@H](CO)NCCCCC 2230a_100020615467_100000210326 [0,2,0,0,0,0|2,0,0]=4 11397 B11R0.161 CCC(COC)NCCCC=O 2230a_100000757820_200011292268 [0,2,0,0,0,0|2,0,0]=4 11398 B11R0.161 CCC(COC)OCCCC=O 7a_200011214946_200011292268 [0,2,0,0,0,0|2,0,0]=4 11399 B11R0.161 CCCC(C#N)OCCCC=O 7a_100000686963_200011292268 [0,2,0,0,0,0|1,0,0]=3 11400 B11R0.161 CCCC(CC)NCCCC=O 2230a_100000747048_200011292268 [0,2,0,0,0,0|1,0,0]=3 11401 B11R0.161 CCCC(CC)OCCCC=O 7a_100000687864_200011292268 [0,2,0,0,0,0|1,0,0]=3 11402 B11R0.161 CCCC(CC)SCCCC=O 62a_100011219200_200011292268 [0,2,0,0,0,0|1,0,0]=3 11403 B11R0.161 CCCC(CC)SCCCC=O 62a_200011292268_100011219200 [0,2,0,0,0,0|1,0,0]=3 11404 B11R0.161 CCCC(CCOCC=O)SC 34a_100000032865_200009817547 [0,2,0,0,0,0|1,0,0]=3 11405 B11R0.161 CCCC(CCOCC=O)SC 7a_100000032865_200015260668 [0,2,0,0,0,0|1,0,0]=3 11406 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,2,0,0,0,0|1,0,1]=4 11407 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,2,0,0,0,0|1,0,1]=4 11408 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,2,0,0,0,0|1,0,1]=4 11409 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,2,0,0,0,0|1,0,1]=4 11410 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,2,0,0,0,0|1,0,1]=4 11411 B11R0.161 CCCN(CC)CCCCC=O 2230a_100000226822_100000139335 [0,2,0,0,0,0|1,0,0]=3 11412 B11R0.161 CCCN(CC)CCCCC=O 269982a_100000226822_100000139335 [0,2,0,0,0,0|1,0,0]=3 11413 B11R0.161 CCC[C@@H](CO)NCCCC=O 2230a_100000732646_200011292268 [0,2,0,0,0,0|1,0,0]=3 11414 B11R0.161 CCN(CCO)CCCCC=O 2230a_100000210973_100000139335 [0,2,0,0,0,0|2,0,0]=4 11415 B11R0.161 CCN(CCO)CCCCC=O 269982a_100000210973_100000139335 [0,2,0,0,0,0|2,0,0]=4 11416 B11R0.161 COCC(CO)NCCCC=O 2230a_100000724102_200011292268 [0,2,0,0,0,0|2,0,0]=4 11417 B11R0.174 C=CC(C)COCC(C)CCC 34a_100011215527_100011216630 [0,2,0,0,0,0|2,0,0]=4 11418 B11R0.174 C=CC(C)COCC(C)CCC 7a_100011215527_100011216630 [0,2,0,0,0,0|2,0,0]=4 11419 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [0,2,0,0,0,0|2,0,0]=4 11420 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [0,2,0,0,0,0|2,0,0]=4 11421 B11R0.174 C=CC(O)COC[C@@H](N)CCC 34a_100000732646_100000730141 [0,2,0,0,0,0|2,0,0]=4 11422 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100000730141_100011216630 [0,2,0,0,0,0|2,0,0]=4 11423 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100011216630_100000730141 [0,2,0,0,0,0|2,0,0]=4 11424 B11R0.174 C=CCC(C)COCC(C)CC 34a_100009832082_100000748023 [0,2,0,0,0,0|2,0,0]=4 11425 B11R0.174 C=CCC(C)COCC(C)CC 7a_100009832082_100000748023 [0,2,0,0,0,0|2,0,0]=4 11426 B11R0.174 C=CCC(C)COCC(O)CC 34a_100009832082_100011218378 [0,2,0,0,0,0|2,0,0]=4 11427 B11R0.174 C=CCC(C)COCC(O)CC 7a_100009832082_100011218378 [0,2,0,0,0,0|2,0,0]=4 11428 B11R0.174 C=CCC(C)COC[C@@H](C)CC 34a_100009832082_100009816398 [0,2,0,0,0,0|2,0,0]=4 11429 B11R0.174 C=CCC(C)COC[C@@H](C)CC 7a_100009832082_100009816398 [0,2,0,0,0,0|2,0,0]=4 11430 B11R0.174 C=CC[C@@H](N)COCC(C)CC 34a_100020615467_100000748023 [0,2,0,0,0,0|2,0,0]=4 11431 B11R0.174 C=CC[C@@H](N)COCC(O)CC 34a_100020615467_100011218378 [0,2,0,0,0,0|2,0,0]=4 11432 B11R0.174 C=CC[C@@H](N)COC[C@@H](C)CC 34a_100020615467_100009816398 [0,2,0,0,0,0|2,0,0]=4 11433 B11R0.174 C=C[C@H](N)COCC(C)CCC 34a_100016989147_100011216630 [0,2,0,0,0,0|2,0,0]=4 11434 B11R0.176 C=C(Br)CCOCC(C)CCC 34a_100009813270_100011216630 [0,2,0,0,0,0|2,0,0]=4 11435 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,2,0,0,0,0|2,0,0]=4 11436 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,2,0,0,0,0|2,0,0]=4 11437 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,2,0,0,0,0|2,0,0]=4 11438 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,2,0,0,0,0|2,0,0]=4 11439 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,2,0,0,0,0|2,0,0]=4 11440 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,2,0,0,0,0|2,0,0]=4 11441 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,2,0,0,0,0|2,0,0]=4 11442 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,2,0,0,0,0|2,0,0]=4 11443 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,2,0,0,0,0|2,0,0]=4 11444 B11R0.176 C=C(F)COCCC(C)CCC 34a_100011217855_100009893438 [0,2,0,0,0,0|2,0,0]=4 11445 B11R0.176 C=C(F)COCCC(C)CCC 7a_100011217855_100000042424 [0,2,0,0,0,0|2,0,0]=4 11446 B11R0.176 C=C(F)COCC[C@@H](N)CCC 34a_100015193777_100009893438 [0,2,0,0,0,0|2,0,0]=4 11447 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,2,0,0,0,0|1,0,1]=4 11448 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,2,0,0,0,0|1,0,1]=4 11449 B11R0.176 C=CCC(C)COCCC(C)C 34a_100009832082_100000210312 [0,2,0,0,0,0|2,0,0]=4 11450 B11R0.176 C=CCC(C)COCCC(C)C 7a_100009832082_100000210626 [0,2,0,0,0,0|2,0,0]=4 11451 B11R0.176 C=CCC(C)COCCC(C)O 34a_100009832082_100012276601 [0,2,0,0,0,0|2,0,0]=4 11452 B11R0.176 C=CCC(C)COCCC(C)O 7a_100009832082_100012276601 [0,2,0,0,0,0|2,0,0]=4 11453 B11R0.176 C=CCN(C)CCCCC(C)C 2230a_100000225617_100011216152 [0,2,0,0,0,0|2,0,0]=4 11454 B11R0.176 C=CCN(C)CCCCC(C)C 269982a_100000225617_100011216152 [0,2,0,0,0,0|2,0,0]=4 11455 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 34a_100000731007_100011214892 [0,2,0,0,0,0|2,0,0]=4 11456 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 7a_100000731007_100011214892 [0,2,0,0,0,0|2,0,0]=4 11457 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 34a_100000731007_200000718107 [0,2,0,0,0,0|2,0,0]=4 11458 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 7a_100000731007_200000718107 [0,2,0,0,0,0|2,0,0]=4 11459 B11R0.176 C=CC[C@@H](N)COCCC(C)C 34a_100020615467_100000210312 [0,2,0,0,0,0|2,0,0]=4 11460 B11R0.176 C=CC[C@@H](N)COCCC(C)O 34a_100020615467_100012276601 [0,2,0,0,0,0|2,0,0]=4 11461 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|1,0,1]=4 11462 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,2,0,0,0,0|2,0,0]=4 11463 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,2,0,0,0,0|2,0,0]=4 11464 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,2,0,0,0,0|2,0,0]=4 11465 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,2,0,0,0,0|2,0,0]=4 11466 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,2,0,0,0,0|2,0,0]=4 11467 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,2,0,0,0,0|2,0,0]=4 11468 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,2,0,0,0,0|2,0,0]=4 11469 B11R0.176 CC(CCBr)OCCCC(=O)N 34a_100012276601_100102525003 [0,2,0,0,0,0|2,0,0]=4 11470 B11R0.176 CC(CCN)COCCC(=O)N 34a_106354213184_100000731001 [0,2,0,0,0,0|2,0,0]=4 11471 B11R0.176 CC(CCO)NCCCC(=O)N 34a_100000739312_100009893172 [0,2,0,0,0,0|2,0,0]=4 11472 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100009893172_100102525003 [0,2,0,0,0,0|2,0,0]=4 11473 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100102525003_100009893172 [0,2,0,0,0,0|2,0,0]=4 11474 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|0,0,1]=3 11475 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 11476 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 11477 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 11478 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,2,0,0,0,0|1,0,1]=4 11479 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,2,0,0,0,0|1,0,1]=4 11480 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 11481 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,2,0,0,0,0|1,0,1]=4 11482 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 11483 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 11484 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,2,0,0,0,0|1,0,1]=4 11485 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,2,0,0,0,0|1,0,1]=4 11486 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,2,0,0,0,0|1,0,1]=4 11487 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,2,0,0,0,0|1,0,1]=4 11488 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,2,0,0,0,0|1,0,0]=3 11489 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,2,0,0,0,0|1,0,0]=3 11490 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,2,0,0,0,0|1,0,0]=3 11491 B11R0.176 CCCC(C)CCOC[N+](=O)[O-] 34a_100011217855_100000761209 [0,2,0,0,0,0|2,0,0]=4 11492 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,2,0,0,0,0|2,0,0]=4 11493 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,2,0,0,0,0|1,0,0]=3 11494 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,2,0,0,0,0|1,0,0]=3 11495 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,2,0,0,0,0|1,0,0]=3 11496 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,2,0,0,0,0|1,0,0]=3 11497 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,2,0,0,0,0|1,0,0]=3 11498 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,2,0,0,0,0|1,0,0]=3 11499 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,2,0,0,0,0|1,0,0]=3 11500 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,2,0,0,0,0|2,0,0]=4 11501 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,2,0,0,0,0|1,0,0]=3 11502 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,2,0,0,0,0|1,0,0]=3 11503 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,2,0,0,0,0|1,0,0]=3 11504 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,2,0,0,0,0|1,0,0]=3 11505 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,2,0,0,0,0|2,0,0]=4 11506 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,2,0,0,0,0|2,0,0]=4 11507 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,2,0,0,0,0|1,0,0]=3 11508 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,2,0,0,0,0|2,0,0]=4 11509 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,2,0,0,0,0|2,0,0]=4 11510 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,2,0,0,0,0|2,0,0]=4 11511 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,2,0,0,0,0|2,0,0]=4 11512 B11R0.176 CCCC(C)NCCNC(=O)N 2230a_100000741246_200000034859 [0,2,0,0,0,0|2,0,0]=4 11513 B11R0.176 CCCC(C)NCCNC(=O)N 34a_100020590234_100000766640 [0,2,0,0,0,0|2,0,0]=4 11514 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,2,0,0,0,0|1,0,0]=3 11515 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,2,0,0,0,0|1,0,0]=3 11516 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,2,0,0,0,0|1,0,0]=3 11517 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,2,0,0,0,0|1,0,0]=3 11518 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,2,0,0,0,0|1,0,0]=3 11519 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,2,0,0,0,0|1,0,0]=3 11520 B11R0.176 CCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000766640 [0,2,0,0,0,0|2,0,0]=4 11521 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,2,0,0,0,0|2,0,0]=4 11522 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,2,0,0,0,0|2,0,0]=4 11523 B11R0.176 CCCC(C)OCCNC(=O)N 34a_100000181757_100000766640 [0,2,0,0,0,0|2,0,0]=4 11524 B11R0.176 CCCC(C)OCCNC(=O)N 7a_100000764384_200000034859 [0,2,0,0,0,0|2,0,0]=4 11525 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,2,0,0,0,0|2,0,0]=4 11526 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,2,0,0,0,0|2,0,0]=4 11527 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [0,2,0,0,0,0|2,0,0]=4 11528 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [0,2,0,0,0,0|2,0,0]=4 11529 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [0,2,0,0,0,0|2,0,0]=4 11530 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,2,0,0,0,0|1,0,0]=3 11531 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,2,0,0,0,0|1,0,0]=3 11532 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,2,0,0,0,0|1,0,0]=3 11533 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,2,0,0,0,0|1,0,0]=3 11534 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,2,0,0,0,0|2,0,0]=4 11535 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,2,0,0,0,0|2,0,0]=4 11536 B11R0.176 CCCC(C)SCCNC(=O)N 62a_100000766640_200000034859 [0,2,0,0,0,0|2,0,0]=4 11537 B11R0.176 CCCC(C)SCCNC(=O)N 62a_200000034859_100000766640 [0,2,0,0,0,0|2,0,0]=4 11538 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,2,0,0,0,0|2,0,0]=4 11539 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,2,0,0,0,0|2,0,0]=4 11540 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [0,2,0,0,0,0|2,0,0]=4 11541 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [0,2,0,0,0,0|2,0,0]=4 11542 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,2,0,0,0,0|1,0,0]=3 11543 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,2,0,0,0,0|2,0,0]=4 11544 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,2,0,0,0,0|2,0,0]=4 11545 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,2,0,0,0,0|2,0,0]=4 11546 B11R0.176 CCCN(C)CCOCC(=O)N 2230a_100000747261_100000076697 [0,2,0,0,0,0|2,0,0]=4 11547 B11R0.176 CCCN(C)CCOCC(=O)N 269982a_100000747261_100000076697 [0,2,0,0,0,0|2,0,0]=4 11548 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,2,0,0,0,0|1,0,0]=3 11549 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,2,0,0,0,0|1,0,0]=3 11550 B11R0.176 CCC[C@H](N)CCOC[N+](=O)[O-] 34a_100015193777_100000761209 [0,2,0,0,0,0|2,0,0]=4 11551 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,2,0,0,0,0|1,0,0]=3 11552 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|2,0,0]=4 11553 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|1,0,1]=4 11554 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|1,0,1]=4 11555 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|1,0,1]=4 11556 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|1,0,1]=4 11557 B11R0.176 COCC(C)NCCCC(=O)N 34a_100000739312_100000765312 [0,2,0,0,0,0|2,0,0]=4 11558 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,2,0,0,0,0|2,0,0]=4 11559 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,2,0,0,0,0|2,0,0]=4 11560 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [0,2,0,0,0,0|2,0,0]=4 11561 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [0,2,0,0,0,0|2,0,0]=4 11562 B11R0.176 COCC(C)SCCCC(=O)N 62a_100000765312_100102525003 [0,2,0,0,0,0|2,0,0]=4 11563 B11R0.176 COCC(C)SCCCC(=O)N 62a_100102525003_100000765312 [0,2,0,0,0,0|2,0,0]=4 11564 B11R0.176 COCC(N)COCCC(=O)N 34a_100000724102_100000731001 [0,2,0,0,0,0|2,0,0]=4 11565 B11R0.176 COCC(O)CNCCC(=O)N 2230a_100000756049_100000744528 [0,2,0,0,0,0|2,0,0]=4 11566 B11R0.176 COCC(O)CNCCC(=O)N 34a_100000756049_100000731001 [0,2,0,0,0,0|2,0,0]=4 11567 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,2,0,0,0,0|2,0,0]=4 11568 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,2,0,0,0,0|2,0,0]=4 11569 B11R0.176 COCC(O)COCCC(=O)N 34a_100000757172_100011215053 [0,2,0,0,0,0|2,0,0]=4 11570 B11R0.176 COCC(O)COCCC(=O)N 7a_100000757172_100011215053 [0,2,0,0,0,0|2,0,0]=4 11571 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,2,0,0,0,0|2,0,0]=4 11572 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,2,0,0,0,0|2,0,0]=4 11573 B11R0.176 COCC(O)CSCCC(=O)N 62a_100000744528_100011215053 [0,2,0,0,0,0|2,0,0]=4 11574 B11R0.176 COCC(O)CSCCC(=O)N 62a_100011215053_100000744528 [0,2,0,0,0,0|2,0,0]=4 11575 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,2,0,0,0,0|2,0,0]=4 11576 B11R0.176 COC[C@@H](C)OCCCC(=O)N 34a_100011934205_100102525003 [0,2,0,0,0,0|2,0,0]=4 11577 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|1,0,1]=4 11578 B11R0.176 C[C@H](CCO)NCCCC(=O)N 34a_100000706166_100102525003 [0,2,0,0,0,0|2,0,0]=4 11579 B11R0.304 C=CCC(C)(C)OCCCCC 7a_100011995686_100000210326 [0,2,0,0,0,0|2,0,0]=4 11580 B11R0.304 C=CCCCOC(C)(C)CCC 7a_100000748436_100000757094 [0,2,0,0,0,0|2,0,0]=4 11581 B11R0.304 C=CCCOCC(C)(C)CCC 7a_100011995695_100000754431 [0,2,0,0,0,0|2,0,0]=4 11582 B11R0.304 CC(C)(CCBr)OCCCC=O 7a_100000702414_200011292268 [0,2,0,0,0,0|2,0,0]=4 11583 B11R0.304 CCCC(C)(C)OCCCC=O 7a_100000748436_200011292268 [0,2,0,0,0,0|1,0,0]=3 11584 B11R0.304 COCC(C)(C)NCCCC=O 2230a_100000752728_200011292268 [0,2,0,0,0,0|2,0,0]=4 11585 B11R0.304 CSCC(C)(C)NCCCC=O 2230a_100000759623_200011292268 [0,2,0,0,0,0|2,0,0]=4 11586 B11R0.304 CSCC(C)(C)NCCCC=O 7a_100000759623_200011292268 [0,2,0,0,0,0|2,0,0]=4 11587 B11R0.30 C=C(Br)CCOCCCC(C)C 34a_100009813270_100011214892 [0,2,0,0,0,0|2,0,0]=4 11588 B11R0.30 C=C(Br)CCOCCCC(C)O 34a_100009813270_200000718107 [0,2,0,0,0,0|2,0,0]=4 11589 B11R0.30 C=C(C)CCNCCCC(=O)N 34a_100000739312_100000730704 [0,2,0,0,0,0|1,0,1]=4 11590 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,2,0,0,0,0|2,0,0]=4 11591 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,2,0,0,0,0|2,0,0]=4 11592 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,2,0,0,0,0|1,0,1]=4 11593 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,2,0,0,0,0|1,0,1]=4 11594 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,2,0,0,0,0|1,0,1]=4 11595 B11R0.30 C=C(C)CCOCCCC(=O)N 34a_100000764851_100102525003 [0,2,0,0,0,0|1,0,1]=4 11596 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,2,0,0,0,0|2,0,0]=4 11599 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,2,0,0,0,0|2,0,0]=4 11600 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,2,0,0,0,0|1,0,1]=4 11601 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,2,0,0,0,0|1,0,1]=4 11602 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [0,2,0,0,0,0|1,0,1]=4 11603 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [0,2,0,0,0,0|1,0,1]=4 11604 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,2,0,0,0,0|2,0,0]=4 11605 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,2,0,0,0,0|2,0,0]=4 11606 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,2,0,0,0,0|2,0,0]=4 11607 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,2,0,0,0,0|2,0,0]=4 11608 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [0,2,0,0,0,0|1,0,1]=4 11609 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [0,2,0,0,0,0|1,0,1]=4 11610 B11R0.30 C=C(C)COCCCCC(=O)N 34a_100012022536_100000748629 [0,2,0,0,0,0|1,0,1]=4 11611 B11R0.30 C=C(C)COCCCCC(=O)N 7a_100012022536_100000748629 [0,2,0,0,0,0|1,0,1]=4 11612 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,2,0,0,0,0|2,0,0]=4 11613 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,2,0,0,0,0|2,0,0]=4 11614 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,2,0,0,0,0|2,0,0]=4 11615 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [0,2,0,0,0,0|1,0,1]=4 11616 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [0,2,0,0,0,0|1,0,1]=4 11617 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,2,0,0,0,0|2,0,0]=4 11618 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,2,0,0,0,0|2,0,0]=4 11619 B11R0.30 C=C(F)COCCCCC(C)C 34a_100011214890_100009893438 [0,2,0,0,0,0|2,0,0]=4 11620 B11R0.30 C=C(F)COCCCCC(C)C 34a_200010262243_100011216152 [0,2,0,0,0,0|2,0,0]=4 11621 B11R0.30 C=C(F)COCCCCC(C)C 7a_100011214890_100000042424 [0,2,0,0,0,0|2,0,0]=4 11622 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100000042424_100011216152 [0,2,0,0,0,0|2,0,0]=4 11623 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100011216152_100000042424 [0,2,0,0,0,0|2,0,0]=4 11624 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,2,0,0,0,0|0,0,2]=4 11625 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,2,0,0,0,0|2,0,0]=4 11626 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|0,0,0]=2 11627 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,2,0,0,0,0|1,0,1]=4 11628 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,2,0,0,0,0|1,0,1]=4 11629 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,2,0,0,0,0|1,0,1]=4 11630 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,2,0,0,0,0|1,0,0]=3 11631 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|1,0,0]=3 11632 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [0,2,0,0,0,0|2,0,0]=4 11633 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,2,0,0,0,0|1,0,1]=4 11634 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,2,0,0,0,0|1,0,0]=3 11635 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,2,0,0,0,0|1,0,0]=3 11636 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,2,0,0,0,0|1,0,0]=3 11637 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [0,2,0,0,0,0|2,0,0]=4 11638 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,2,0,0,0,0|1,0,0]=3 11639 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,2,0,0,0,0|1,0,0]=3 11640 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,2,0,0,0,0|1,0,1]=4 11641 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,2,0,0,0,0|1,0,1]=4 11642 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,2,0,0,0,0|1,0,1]=4 11643 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,2,0,0,0,0|1,0,1]=4 11644 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,2,0,0,0,0|1,0,0]=3 11645 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,2,0,0,0,0|1,0,0]=3 11646 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|1,0,0]=3 11647 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|1,0,0]=3 11648 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|1,0,0]=3 11651 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|1,0,0]=3 11652 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,2,0,0,0,0|1,0,1]=4 11653 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,2,0,0,0,0|1,0,1]=4 11654 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,2,0,0,0,0|1,0,1]=4 11655 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,2,0,0,0,0|1,0,1]=4 11656 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,2,0,0,0,0|1,0,1]=4 11657 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,2,0,0,0,0|1,0,1]=4 11658 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,2,0,0,0,0|1,0,1]=4 11659 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,2,0,0,0,0|1,0,0]=3 11660 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,2,0,0,0,0|1,0,0]=3 11661 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,2,0,0,0,0|1,0,0]=3 11662 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,2,0,0,0,0|1,0,0]=3 11663 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,2,0,0,0,0|1,0,0]=3 11664 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|1,0,0]=3 11665 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|1,0,0]=3 11666 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [0,2,0,0,0,0|2,0,0]=4 11667 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,2,0,0,0,0|2,0,0]=4 11668 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,2,0,0,0,0|1,0,0]=3 11669 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [0,2,0,0,0,0|2,0,0]=4 11670 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,2,0,0,0,0|1,0,1]=4 11671 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,2,0,0,0,0|1,0,1]=4 11672 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,2,0,0,0,0|1,0,1]=4 11673 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,2,0,0,0,0|1,0,1]=4 11674 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,2,0,0,0,0|1,0,0]=3 11675 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,2,0,0,0,0|1,0,0]=3 11676 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|1,0,0]=3 11677 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|1,0,0]=3 11678 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [0,2,0,0,0,0|2,0,0]=4 11679 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [0,2,0,0,0,0|2,0,0]=4 11680 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [0,2,0,0,0,0|2,0,0]=4 11681 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,2,0,0,0,0|1,0,1]=4 11682 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,2,0,0,0,0|1,0,1]=4 11683 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,2,0,0,0,0|1,0,0]=3 11684 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,2,0,0,0,0|1,0,0]=3 11685 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,2,0,0,0,0|1,0,0]=3 11686 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|1,0,0]=3 11687 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|1,0,0]=3 11688 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,2,0,0,0,0|2,0,0]=4 11689 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [0,2,0,0,0,0|2,0,0]=4 11690 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [0,2,0,0,0,0|2,0,0]=4 11691 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [0,2,0,0,0,0|2,0,0]=4 11692 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [0,2,0,0,0,0|2,0,0]=4 11693 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [0,2,0,0,0,0|2,0,0]=4 11694 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [0,2,0,0,0,0|2,0,0]=4 11695 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,2,0,0,0,0|1,0,1]=4 11696 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,2,0,0,0,0|1,0,1]=4 11697 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,2,0,0,0,0|1,0,0]=3 11698 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,2,0,0,0,0|1,0,0]=3 11699 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|1,0,0]=3 11700 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|1,0,0]=3 11701 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [0,2,0,0,0,0|2,0,0]=4 11702 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [0,2,0,0,0,0|2,0,0]=4 11703 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [0,2,0,0,0,0|2,0,0]=4 11704 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [0,2,0,0,0,0|2,0,0]=4 11705 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [0,2,0,0,0,0|2,0,0]=4 11706 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|1,0,0]=3 11707 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,2,0,0,0,0|1,0,1]=4 11708 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,2,0,0,0,0|1,0,0]=3 11709 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,2,0,0,0,0|1,0,0]=3 11710 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,2,0,0,0,0|1,0,0]=3 11711 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,2,0,0,0,0|2,0,0]=4 11712 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [0,2,0,0,0,0|2,0,0]=4 11713 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [0,2,0,0,0,0|2,0,0]=4 11714 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [0,2,0,0,0,0|2,0,0]=4 11715 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [0,2,0,0,0,0|2,0,0]=4 11716 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,2,0,0,0,0|2,0,0]=4 11717 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,2,0,0,0,0|2,0,0]=4 11718 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [0,2,0,0,0,0|2,0,0]=4 11719 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [0,2,0,0,0,0|2,0,0]=4 11720 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [0,2,0,0,0,0|2,0,0]=4 11721 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [0,2,0,0,0,0|2,0,0]=4 11722 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [0,2,0,0,0,0|2,0,0]=4 11723 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,2,0,0,0,0|2,0,0]=4 11724 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,2,0,0,0,0|2,0,0]=4 11725 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [0,2,0,0,0,0|2,0,0]=4 11726 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [0,2,0,0,0,0|2,0,0]=4 11727 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,2,0,0,0,0|2,0,0]=4 11728 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,2,0,0,0,0|2,0,0]=4 11729 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,2,0,0,0,0|2,0,0]=4 11730 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,2,0,0,0,0|2,0,0]=4 11731 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,2,0,0,0,0|2,0,0]=4 11732 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [0,2,0,0,0,0|2,0,0]=4 11733 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [0,2,0,0,0,0|2,0,0]=4 11734 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,2,0,0,0,0|2,0,0]=4 11735 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,2,0,0,0,0|2,0,0]=4 11736 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,2,0,0,0,0|2,0,0]=4 11737 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,2,0,0,0,0|2,0,0]=4 11738 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,2,0,0,0,0|2,0,0]=4 11739 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,2,0,0,0,0|2,0,0]=4 11740 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,2,0,0,0,0|2,0,0]=4 11741 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,2,0,0,0,0|2,0,0]=4 11742 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,2,0,0,0,0|2,0,0]=4 11743 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,2,0,0,0,0|2,0,0]=4 11744 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,2,0,0,0,0|2,0,0]=4 11745 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,2,0,0,0,0|2,0,0]=4 11746 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,2,0,0,0,0|2,0,0]=4 11747 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,2,0,0,0,0|2,0,0]=4 11748 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,2,0,0,0,0|2,0,0]=4 11749 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,2,0,0,0,0|2,0,0]=4 11750 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,2,0,0,0,0|2,0,0]=4 11751 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,2,0,0,0,0|2,0,0]=4 11752 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,2,0,0,0,0|2,0,0]=4 11753 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,2,0,0,0,0|2,0,0]=4 11754 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,2,0,0,0,0|2,0,0]=4 11755 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,2,0,0,0,0|2,0,0]=4 11756 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,2,0,0,0,0|2,0,0]=4 11757 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,2,0,0,0,0|2,0,0]=4 11758 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,2,0,0,0,0|2,0,0]=4 11759 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,2,0,0,0,0|2,0,0]=4 11760 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,2,0,0,0,0|2,0,0]=4 11761 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,2,0,0,0,0|2,0,0]=4 11762 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,2,0,0,0,0|2,0,0]=4 11763 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,2,0,0,0,0|2,0,0]=4 11764 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,2,0,0,0,0|2,0,0]=4 11765 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,2,0,0,0,0|2,0,0]=4 11766 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,2,0,0,0,0|2,0,0]=4 11767 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,2,0,0,0,0|2,0,0]=4 11768 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,2,0,0,0,0|2,0,0]=4 11769 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,2,0,0,0,0|2,0,0]=4 11770 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,2,0,0,0,0|2,0,0]=4 11771 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,2,0,0,0,0|2,0,0]=4 11772 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,2,0,0,0,0|2,0,0]=4 11773 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,2,0,0,0,0|2,0,0]=4 11774 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,2,0,0,0,0|2,0,0]=4 11775 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,2,0,0,0,0|2,0,0]=4 11776 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,2,0,0,0,0|2,0,0]=4 11777 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,2,0,0,0,0|2,0,0]=4 11778 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,2,0,0,0,0|2,0,0]=4 11779 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,2,0,0,0,0|2,0,0]=4 11780 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [0,2,0,0,0,0|2,0,0]=4 11781 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,2,0,0,0,0|2,0,0]=4 11782 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [0,2,0,0,0,0|2,0,0]=4 11783 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [0,2,0,0,0,0|2,0,0]=4 11784 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [0,2,0,0,0,0|2,0,0]=4 11785 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,2,0,0,0,0|2,0,0]=4 11786 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,2,0,0,0,0|2,0,0]=4 11787 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,2,0,0,0,0|2,0,0]=4 11788 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,2,0,0,0,0|2,0,0]=4 11789 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,2,0,0,0,0|2,0,0]=4 11790 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,2,0,0,0,0|2,0,0]=4 11791 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,2,0,0,0,0|2,0,0]=4 11792 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,2,0,0,0,0|1,0,0]=3 11793 B11R0.30 CC(Br)CCOCCOC(=O)N 34a_100009893172_200011214921 [0,2,0,0,0,0|2,0,0]=4 11794 B11R0.30 CC(Br)COCCOCC(=O)N 34a_100012180447_100000076697 [0,2,0,0,0,0|2,0,0]=4 11795 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,2,0,0,0,0|0,0,2]=4 11796 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|0,0,0]=2 11797 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,2,0,0,0,0|1,0,0]=3 11798 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,2,0,0,0,0|1,0,0]=3 11799 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,2,0,0,0,0|1,0,0]=3 11800 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,2,0,0,0,0|1,0,0]=3 11801 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,2,0,0,0,0|1,0,0]=3 11802 B11R0.30 CC(C)CCCCOC[N+](=O)[O-] 34a_100011214890_100000761209 [0,2,0,0,0,0|2,0,0]=4 11803 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,2,0,0,0,0|1,0,0]=3 11804 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,2,0,0,0,0|1,0,0]=3 11805 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,2,0,0,0,0|1,0,0]=3 11806 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,2,0,0,0,0|1,0,0]=3 11807 B11R0.30 CC(C)CCCCSC[N+](=O)[O-] 62a_100011216152_100000761209 [0,2,0,0,0,0|2,0,0]=4 11808 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,2,0,0,0,0|1,0,0]=3 11809 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,2,0,0,0,0|1,0,0]=3 11810 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [0,2,0,0,0,0|2,0,0]=4 11811 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,2,0,0,0,0|1,0,0]=3 11812 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,2,0,0,0,0|1,0,0]=3 11813 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,2,0,0,0,0|1,0,0]=3 11814 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,2,0,0,0,0|1,0,0]=3 11815 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,2,0,0,0,0|1,0,0]=3 11816 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,2,0,0,0,0|1,0,0]=3 11817 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,2,0,0,0,0|1,0,0]=3 11818 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,2,0,0,0,0|1,0,0]=3 11819 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [0,2,0,0,0,0|2,0,0]=4 11820 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [0,2,0,0,0,0|2,0,0]=4 11821 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [0,2,0,0,0,0|2,0,0]=4 11822 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,2,0,0,0,0|1,0,0]=3 11823 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,2,0,0,0,0|1,0,0]=3 11824 B11R0.30 CC(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000210312 [0,2,0,0,0,0|2,0,0]=4 11825 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [0,2,0,0,0,0|2,0,0]=4 11826 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [0,2,0,0,0,0|2,0,0]=4 11827 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [0,2,0,0,0,0|2,0,0]=4 11828 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [0,2,0,0,0,0|2,0,0]=4 11829 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [0,2,0,0,0,0|2,0,0]=4 11830 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,2,0,0,0,0|1,0,0]=3 11831 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,2,0,0,0,0|1,0,0]=3 11832 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [0,2,0,0,0,0|2,0,0]=4 11833 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [0,2,0,0,0,0|2,0,0]=4 11834 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [0,2,0,0,0,0|2,0,0]=4 11835 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [0,2,0,0,0,0|2,0,0]=4 11836 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,2,0,0,0,0|1,0,0]=3 11837 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,2,0,0,0,0|1,0,0]=3 11838 B11R0.30 CC(C)CNCCOCC(=O)N 2230a_100000210953_100000076697 [0,2,0,0,0,0|2,0,0]=4 11839 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100000210953_100000076697 [0,2,0,0,0,0|2,0,0]=4 11840 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100015185251_100000187820 [0,2,0,0,0,0|2,0,0]=4 11841 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [0,2,0,0,0,0|2,0,0]=4 11842 B11R0.30 CC(C)CNCCOCC(=O)[O-] 34a_100015185251_100020667443 [0,2,0,0,0,0|2,0,0]=4 11843 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,2,0,0,0,0|1,0,0]=3 11844 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,2,0,0,0,0|1,0,0]=3 11845 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000210624 [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000210760 [0,2,0,0,0,0|2,0,0]=4 11847 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000210257_100000076697 [0,2,0,0,0,0|2,0,0]=4 11848 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000703358_100000187820 [0,2,0,0,0,0|2,0,0]=4 11849 B11R0.30 CC(C)COCCOCC(=O)N 7a_100000703358_100000187820 [0,2,0,0,0,0|2,0,0]=4 11850 B11R0.30 CC(C)COCCOCC(=O)[O-] 34a_100000703358_100020667443 [0,2,0,0,0,0|2,0,0]=4 11851 B11R0.30 CC(C)CSCCOCC(=O)N 34a_200000230437_100000187820 [0,2,0,0,0,0|2,0,0]=4 11852 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000076697_100000210760 [0,2,0,0,0,0|2,0,0]=4 11853 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000210624_100000076697 [0,2,0,0,0,0|2,0,0]=4 11854 B11R0.30 CC(C)CSCCOCC(=O)N 7a_200000230437_100000187820 [0,2,0,0,0,0|2,0,0]=4 11855 B11R0.30 CC(C)CSCCOCC(=O)[O-] 34a_200000230437_100020667443 [0,2,0,0,0,0|2,0,0]=4 11856 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,2,0,0,0,0|1,0,0]=3 11857 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,2,0,0,0,0|1,0,0]=3 11858 B11R0.30 CC(C)NCCCOCC(=O)N 34a_100000182298_100000187820 [0,2,0,0,0,0|2,0,0]=4 11859 B11R0.30 CC(C)NCCCOCC(=O)[O-] 34a_100000182298_100020667443 [0,2,0,0,0,0|2,0,0]=4 11860 B11R0.30 CC(C)NCCOCCC(=O)N 34a_100000224655_100000731001 [0,2,0,0,0,0|2,0,0]=4 11861 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,2,0,0,0,0|1,0,0]=3 11862 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,2,0,0,0,0|1,0,0]=3 11863 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,2,0,0,0,0|1,0,0]=3 11864 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,2,0,0,0,0|1,0,0]=3 11865 B11R0.30 CC(C)OCCCNCC(=O)N 2230a_100000737246_100000747473 [0,2,0,0,0,0|2,0,0]=4 11866 B11R0.30 CC(C)OCCCNCC(=O)N 34a_100000737246_100000187820 [0,2,0,0,0,0|2,0,0]=4 11867 B11R0.30 CC(C)OCCCNCC(=O)[O-] 34a_100000737246_100020667443 [0,2,0,0,0,0|2,0,0]=4 11868 B11R0.30 CC(C)OCCNCCC(=O)N 2230a_100000701111_100000744528 [0,2,0,0,0,0|2,0,0]=4 11869 B11R0.30 CC(C)OCCNCCC(=O)N 34a_100000701111_100000731001 [0,2,0,0,0,0|2,0,0]=4 11870 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000211219_100000731001 [0,2,0,0,0,0|2,0,0]=4 11871 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000757172_100000211751 [0,2,0,0,0,0|2,0,0]=4 11872 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000211219_100000744528 [0,2,0,0,0,0|2,0,0]=4 11873 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000757172_100000211751 [0,2,0,0,0,0|2,0,0]=4 11874 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000211751_100000744528 [0,2,0,0,0,0|2,0,0]=4 11875 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000744528_100000211751 [0,2,0,0,0,0|2,0,0]=4 11876 B11R0.30 CC(C)OCNCCCC(=O)N 34a_100000739312_100000709892 [0,2,0,0,0,0|2,0,0]=4 11877 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100000709892_100102525003 [0,2,0,0,0,0|2,0,0]=4 11878 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100102525003_100000709892 [0,2,0,0,0,0|2,0,0]=4 11879 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,2,0,0,0,0|1,0,0]=3 11880 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,2,0,0,0,0|1,0,0]=3 11881 B11R0.30 CC(C)SCCNCCC(=O)N 2230a_100000731138_100000744528 [0,2,0,0,0,0|2,0,0]=4 11882 B11R0.30 CC(C)SCCNCCC(=O)N 34a_100000731138_100000731001 [0,2,0,0,0,0|2,0,0]=4 11883 B11R0.30 CC(C)SCCOCCC(=O)N 34a_100000757172_100000730970 [0,2,0,0,0,0|2,0,0]=4 11884 B11R0.30 CC(C)SCCOCCC(=O)N 34a_200011212901_100000731001 [0,2,0,0,0,0|2,0,0]=4 11885 B11R0.30 CC(C)SCCOCCC(=O)N 7a_100000757172_100000730970 [0,2,0,0,0,0|2,0,0]=4 11886 B11R0.30 CC(C)SCCOCCC(=O)N 7a_200011212901_100000744528 [0,2,0,0,0,0|2,0,0]=4 11887 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000730970_100000744528 [0,2,0,0,0,0|2,0,0]=4 11888 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000744528_100000730970 [0,2,0,0,0,0|2,0,0]=4 11889 B11R0.30 CC(F)COCCOCC(=O)N 34a_100015925927_100000076697 [0,2,0,0,0,0|2,0,0]=4 11890 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,2,0,0,0,0|2,0,0]=4 11891 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,2,0,0,0,0|1,0,0]=3 11892 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,2,0,0,0,0|1,0,0]=3 11893 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,2,0,0,0,0|1,0,0]=3 11894 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,2,0,0,0,0|1,0,0]=3 11895 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,2,0,0,0,0|1,0,0]=3 11896 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,2,0,0,0,0|2,0,0]=4 11897 B11R0.30 CC(O)CCNCCNC(=O)N 2230a_200000755665_200000034859 [0,2,0,0,0,0|2,0,0]=4 11898 B11R0.30 CC(O)CCNCCNC(=O)N 34a_100020590234_100012276601 [0,2,0,0,0,0|2,0,0]=4 11899 B11R0.30 CC(O)CCOCCC[N+](=O)[O-] 34a_200000037920_100012276601 [0,2,0,0,0,0|2,0,0]=4 11900 B11R0.30 CC(O)CCOCCNC(=O)N 34a_100000181757_100012276601 [0,2,0,0,0,0|2,0,0]=4 11901 B11R0.30 CC(O)CCOCCOC(=O)N 7a_100000766696_100012276601 [0,2,0,0,0,0|2,0,0]=4 11902 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,2,0,0,0,0|1,0,0]=3 11903 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,2,0,0,0,0|1,0,0]=3 11904 B11R0.30 CC(O)CCSCCNC(=O)N 62a_100012276601_200000034859 [0,2,0,0,0,0|2,0,0]=4 11905 B11R0.30 CC(O)CCSCCNC(=O)N 62a_200000034859_100012276601 [0,2,0,0,0,0|2,0,0]=4 11906 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [0,2,0,0,0,0|2,0,0]=4 11907 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [0,2,0,0,0,0|2,0,0]=4 11908 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,2,0,0,0,0|1,0,0]=3 11909 B11R0.30 CC(O)CNCCOCC(=O)N 2230a_100000210904_100000076697 [0,2,0,0,0,0|2,0,0]=4 11910 B11R0.30 CC(O)CNCCOCC(=O)N 34a_100000210904_100000076697 [0,2,0,0,0,0|2,0,0]=4 11911 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,2,0,0,0,0|2,0,0]=4 11912 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,2,0,0,0,0|1,0,0]=3 11913 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,2,0,0,0,0|1,0,0]=3 11914 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218427 [0,2,0,0,0,0|2,0,0]=4 11915 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218427 [0,2,0,0,0,0|2,0,0]=4 11916 B11R0.30 CC(O)CSCCOCC(=O)N 62a_100000076697_100011218427 [0,2,0,0,0,0|2,0,0]=4 11917 B11R0.30 CC(O)CSCCOCC(=O)N 62a_100011218427_100000076697 [0,2,0,0,0,0|2,0,0]=4 11918 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,2,0,0,0,0|2,0,0]=4 11919 B11R0.30 CN(C)CCCCSCC(=O)N 62a_100000747473_100000690147 [0,2,0,0,0,0|2,0,0]=4 11920 B11R0.30 CN(C)CCCCSCC(=O)[O-] 62a_100020667443_100000690147 [0,2,0,0,0,0|2,0,0]=4 11921 B11R0.30 CN(C)CCCOCCC(=O)N 7a_100000757172_100000757444 [0,2,0,0,0,0|2,0,0]=4 11922 B11R0.30 CN(C)CCCSCCC(=O)N 62a_100000744528_100000757444 [0,2,0,0,0,0|2,0,0]=4 11923 B11R0.30 CN(C)CCSCCCC(=O)N 62a_100102525003_100000755713 [0,2,0,0,0,0|2,0,0]=4 11924 B11R0.30 CS(=O)CCCNCCC(=O)N 2230a_200000753449_100000744528 [0,2,0,0,0,0|2,0,0]=4 11925 B11R0.30 C[C@@H](Cl)COCCOCC(=O)N 34a_100016084084_100000076697 [0,2,0,0,0,0|2,0,0]=4 11926 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,2,0,0,0,0|1,0,0]=3 11927 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [0,2,0,0,0,0|2,0,0]=4 11928 B11R0.30 C[C@@H](N)COCCOCC(=O)N 34a_100000737577_100000076697 [0,2,0,0,0,0|2,0,0]=4 11929 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,2,0,0,0,0|1,0,0]=3 11930 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,2,0,0,0,0|2,0,0]=4 11931 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,2,0,0,0,0|1,0,0]=3 11932 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,2,0,0,0,0|1,0,0]=3 11933 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 34a_200015379883_100009817552 [0,2,0,0,0,0|2,0,0]=4 11934 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 7a_200015379883_100009817552 [0,2,0,0,0,0|2,0,0]=4 11935 B11R0.30 C[C@@H](O)CSCCOCC(=O)N 62a_100000076697_100009817552 [0,2,0,0,0,0|2,0,0]=4 11936 B11R0.30 C[C@@H](O)CSCCOCC(=O)N 62a_100009817552_100000076697 [0,2,0,0,0,0|2,0,0]=4 11937 B11R0.30 NC(=O)CCCCNCC(F)F 34a_100000696515_100011934356 [0,2,0,0,0,0|2,0,0]=4 11938 B11R0.30 NC(=O)CCCCOCC(F)F 34a_100012022536_100011934356 [0,2,0,0,0,0|2,0,0]=4 11939 B11R0.30 NC(=O)CCCCOCC(F)F 7a_100012022536_100011934356 [0,2,0,0,0,0|2,0,0]=4 11940 B11R0.30 NC(=O)CCCOCCC(F)F 34a_100103093639_100102525003 [0,2,0,0,0,0|2,0,0]=4 11941 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,2,0,0,0,0|0,0,2]=4 11942 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,2,0,0,0,0|1,0,1]=4 11943 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,2,0,0,0,0|0,0,2]=4 11944 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,2,0,0,0,0|0,0,0]=2 11945 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,2,0,0,0,0|1,0,0]=3 11946 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,2,0,0,0,0|1,0,0]=3 11947 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,2,0,0,0,0|2,0,0]=4 11948 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,2,0,0,0,0|2,0,0]=4 11949 B11R0.40 C#CC(C)NCCCCCC=C 2230a_100000707721_100000700193 [0,2,0,0,0,0|2,0,0]=4 11950 B11R0.40 C#CC(C)NCCCCCC=C 34a_100000707721_100000700193 [0,2,0,0,0,0|2,0,0]=4 11951 B11R0.40 C#CC(C)NCCCCCC=O 2230a_100000707721_100000139337 [0,2,0,0,0,0|1,0,0]=3 11952 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,2,0,0,0,0|1,0,1]=4 11953 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,2,0,0,0,0|1,0,1]=4 11954 B11R0.40 C#CC(C)OCCCCCC=C 34a_100011216702_200000035995 [0,2,0,0,0,0|2,0,0]=4 11955 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,2,0,0,0,0|1,0,1]=4 11956 B11R0.40 C#CC(C)SCCCCCC=C 62a_200000035995_100000700193 [0,2,0,0,0,0|2,0,0]=4 11957 B11R0.40 C#CC(C)SCCCCCC=O 62a_200000035995_100000139337 [0,2,0,0,0,0|1,0,0]=3 11958 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,2,0,0,0,0|1,0,1]=4 11959 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,2,0,0,0,0|1,0,1]=4 11960 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,2,0,0,0,0|1,0,1]=4 11961 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,2,0,0,0,0|1,0,1]=4 11962 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,2,0,0,0,0|1,0,1]=4 11963 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,2,0,0,0,0|0,0,2]=4 11964 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,2,0,0,0,0|0,0,2]=4 11965 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,2,0,0,0,0|0,0,2]=4 11966 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,2,0,0,0,0|0,0,2]=4 11967 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,2,0,0,0,0|0,0,2]=4 11968 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,2,0,0,0,0|0,0,2]=4 11969 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,2,0,0,0,0|0,0,2]=4 11970 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,2,0,0,0,0|0,0,2]=4 11971 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,2,0,0,0,0|0,0,2]=4 11972 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,2,0,0,0,0|0,0,2]=4 11973 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,2,0,0,0,0|1,0,1]=4 11974 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,2,0,0,0,0|1,0,1]=4 11975 B11R0.40 C#CCCCCCNC(C)CC 2230a_100000209981_100012094781 [0,2,0,0,0,0|1,0,1]=4 11976 B11R0.40 C#CCCCCCOC(C)CC 34a_100000766912_100011215416 [0,2,0,0,0,0|1,0,1]=4 11977 B11R0.40 C#CCCCCCOC(C)CC 7a_100000210228_100012094781 [0,2,0,0,0,0|1,0,1]=4 11978 B11R0.40 C#CCCCCCOC(C)CC 7a_100000766912_100000758301 [0,2,0,0,0,0|1,0,1]=4 11979 B11R0.40 C#CCCCCCSC(C)CC 62a_100000758301_100012094781 [0,2,0,0,0,0|1,0,1]=4 11980 B11R0.40 C#CCCCCCSC(C)CC 62a_100012094781_100000758301 [0,2,0,0,0,0|1,0,1]=4 11981 B11R0.40 C#CCCCCNCC(C)CC 2230a_100000706060_100000748023 [0,2,0,0,0,0|1,0,1]=4 11982 B11R0.40 C#CCCCCNCC(C)CC 2230a_100020588543_100010269958 [0,2,0,0,0,0|1,0,1]=4 11983 B11R0.40 C#CCCCCNCC(C)CC 34a_100000706060_100000748023 [0,2,0,0,0,0|1,0,1]=4 11984 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 11985 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,2,0,0,0,0|1,0,1]=4 11986 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 11987 B11R0.40 C#CCCCCNC[C@@H](C)CC 2230a_100000706060_100009816398 [0,2,0,0,0,0|1,0,1]=4 11988 B11R0.40 C#CCCCCNC[C@@H](C)CC 34a_100000706060_100009816398 [0,2,0,0,0,0|1,0,1]=4 11989 B11R0.40 C#CCCCCOCC(C)CC 34a_100000766709_100000748023 [0,2,0,0,0,0|1,0,1]=4 11990 B11R0.40 C#CCCCCOCC(C)CC 7a_100000766709_100000748023 [0,2,0,0,0,0|1,0,1]=4 11991 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,2,0,0,0,0|1,0,1]=4 11992 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,2,0,0,0,0|1,0,1]=4 11993 B11R0.40 C#CCCCCOC[C@@H](C)CC 34a_100000766709_100009816398 [0,2,0,0,0,0|1,0,1]=4 11994 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100000766709_100009816398 [0,2,0,0,0,0|1,0,1]=4 11995 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100009816381_100010269958 [0,2,0,0,0,0|1,0,1]=4 11996 B11R0.40 C#CCCCCSCC(C)CC 62a_100000748023_100010269958 [0,2,0,0,0,0|1,0,1]=4 11997 B11R0.40 C#CCCCCSCC(C)CC 62a_100010269958_100000748023 [0,2,0,0,0,0|1,0,1]=4 11998 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,2,0,0,0,0|1,0,1]=4 11999 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,2,0,0,0,0|1,0,1]=4 12000 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100009816398_100010269958 [0,2,0,0,0,0|1,0,1]=4 12001 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100010269958_100009816398 [0,2,0,0,0,0|1,0,1]=4 12002 B11R0.40 C#CCCCNCCC(C)CC 2230a_100020591266_100000731252 [0,2,0,0,0,0|1,0,1]=4 12003 B11R0.40 C#CCCCOCCC(C)CC 7a_100011215188_100011215417 [0,2,0,0,0,0|1,0,1]=4 12004 B11R0.40 C#CCCOCCCC(C)CC 7a_100011216074_100000688953 [0,2,0,0,0,0|1,0,1]=4 12005 B11R0.40 C#C[C@@H](C)OCCCCCC=C 34a_100009815206_100000700193 [0,2,0,0,0,0|2,0,0]=4 12006 B11R0.40 C#C[C@@H](C)OCCCCCC=C 7a_100009815206_100000700193 [0,2,0,0,0,0|2,0,0]=4 12007 B11R0.40 C#C[C@@H](C)OCCCCCC=O 7a_100009815206_100000139337 [0,2,0,0,0,0|1,0,0]=3 12008 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,2,0,0,0,0|1,0,1]=4 12009 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,2,0,0,0,0|1,0,1]=4 12010 B11R0.40 C/C=C/COCCCC(C)CC 7a_100011216074_100102629194 [0,2,0,0,0,0|1,0,1]=4 12011 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,2,0,0,0,0|2,0,0]=4 12012 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,2,0,0,0,0|2,0,0]=4 12013 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,2,0,0,0,0|2,0,0]=4 12014 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,2,0,0,0,0|0,0,2]=4 12015 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,2,0,0,0,0|1,0,1]=4 12016 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,2,0,0,0,0|0,0,0]=2 12017 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,2,0,0,0,0|1,0,0]=3 12018 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,2,0,0,0,0|1,0,0]=3 12019 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,2,0,0,0,0|2,0,0]=4 12020 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,2,0,0,0,0|2,0,0]=4 12021 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,2,0,0,0,0|1,0,0]=3 12022 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,2,0,0,0,0|1,0,0]=3 12023 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,2,0,0,0,0|2,0,0]=4 12024 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,2,0,0,0,0|2,0,0]=4 12025 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,2,0,0,0,0|2,0,0]=4 12026 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,2,0,0,0,0|2,0,0]=4 12027 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,2,0,0,0,0|2,0,0]=4 12028 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,2,0,0,0,0|2,0,0]=4 12029 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,2,0,0,0,0|2,0,0]=4 12030 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,2,0,0,0,0|2,0,0]=4 12031 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,2,0,0,0,0|2,0,0]=4 12032 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,2,0,0,0,0|2,0,0]=4 12033 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,2,0,0,0,0|2,0,0]=4 12034 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,2,0,0,0,0|2,0,0]=4 12035 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,2,0,0,0,0|2,0,0]=4 12036 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,2,0,0,0,0|2,0,0]=4 12037 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,2,0,0,0,0|2,0,0]=4 12038 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,2,0,0,0,0|2,0,0]=4 12039 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,2,0,0,0,0|2,0,0]=4 12040 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,2,0,0,0,0|2,0,0]=4 12041 B11R0.40 C=CC(C)COCCCCC=O 7a_100011215527_100000139335 [0,2,0,0,0,0|1,0,0]=3 12042 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,2,0,0,0,0|1,0,0]=3 12043 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,2,0,0,0,0|1,0,0]=3 12044 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [0,2,0,0,0,0|2,0,0]=4 12045 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [0,2,0,0,0,0|2,0,0]=4 12046 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,2,0,0,0,0|2,0,0]=4 12047 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,2,0,0,0,0|2,0,0]=4 12048 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [0,2,0,0,0,0|2,0,0]=4 12049 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [0,2,0,0,0,0|2,0,0]=4 12050 B11R0.40 C=CC(C)COCCCOCC 34a_100011215527_100012232248 [0,2,0,0,0,0|2,0,0]=4 12051 B11R0.40 C=CC(C)COCCCOCC 7a_100011215527_100012232248 [0,2,0,0,0,0|2,0,0]=4 12052 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [0,2,0,0,0,0|2,0,0]=4 12053 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [0,2,0,0,0,0|2,0,0]=4 12054 B11R0.40 C=CC(C)COCOCCCC 34a_100011215527_100011995733 [0,2,0,0,0,0|2,0,0]=4 12055 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,2,0,0,0,0|1,0,0]=3 12056 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [0,2,0,0,0,0|2,0,0]=4 12057 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,2,0,0,0,0|2,0,0]=4 12058 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [0,2,0,0,0,0|2,0,0]=4 12059 B11R0.40 C=CC(C)SCCCCCC=O 62a_100011215867_100000139337 [0,2,0,0,0,0|1,0,0]=3 12060 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,2,0,0,0,0|1,0,0]=3 12061 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [0,2,0,0,0,0|2,0,0]=4 12062 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,2,0,0,0,0|2,0,0]=4 12063 B11R0.40 C=CC(C)SCCOCCCC 62a_100011215867_100000743108 [0,2,0,0,0,0|2,0,0]=4 12064 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|1,0,0]=3 12065 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 12066 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 12067 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,2,0,0,0,0|2,0,0]=4 12068 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,2,0,0,0,0|2,0,0]=4 12069 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,2,0,0,0,0|2,0,0]=4 12070 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,2,0,0,0,0|2,0,0]=4 12071 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,2,0,0,0,0|2,0,0]=4 12072 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,2,0,0,0,0|2,0,0]=4 12073 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,2,0,0,0,0|2,0,0]=4 12074 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|1,0,0]=3 12075 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|1,0,0]=3 12076 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 12077 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 12078 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,2,0,0,0,0|2,0,0]=4 12079 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,2,0,0,0,0|2,0,0]=4 12080 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 12081 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,2,0,0,0,0|2,0,0]=4 12082 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,2,0,0,0,0|2,0,0]=4 12083 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,2,0,0,0,0|2,0,0]=4 12084 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,2,0,0,0,0|2,0,0]=4 12085 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,2,0,0,0,0|2,0,0]=4 12086 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,2,0,0,0,0|2,0,0]=4 12087 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,2,0,0,0,0|2,0,0]=4 12088 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,2,0,0,0,0|2,0,0]=4 12089 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,2,0,0,0,0|2,0,0]=4 12090 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,2,0,0,0,0|2,0,0]=4 12091 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,2,0,0,0,0|2,0,0]=4 12092 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000139335_100000730141 [0,2,0,0,0,0|0,0,2]=4 12093 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000730141_100000139335 [0,2,0,0,0,0|0,0,2]=4 12094 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|1,0,0]=3 12095 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|1,0,0]=3 12096 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,2,0,0,0,0|2,0,0]=4 12097 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,2,0,0,0,0|2,0,0]=4 12098 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,2,0,0,0,0|2,0,0]=4 12099 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 12100 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,2,0,0,0,0|2,0,0]=4 12101 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,2,0,0,0,0|2,0,0]=4 12102 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,2,0,0,0,0|2,0,0]=4 12103 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,2,0,0,0,0|2,0,0]=4 12104 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,2,0,0,0,0|2,0,0]=4 12105 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,2,0,0,0,0|2,0,0]=4 12106 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,2,0,0,0,0|2,0,0]=4 12107 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,2,0,0,0,0|2,0,0]=4 12108 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,2,0,0,0,0|0,0,2]=4 12109 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|1,0,0]=3 12110 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|1,0,0]=3 12111 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,2,0,0,0,0|0,0,2]=4 12112 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,2,0,0,0,0|0,0,2]=4 12113 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,2,0,0,0,0|0,0,2]=4 12114 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,2,0,0,0,0|0,0,2]=4 12115 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,2,0,0,0,0|0,0,2]=4 12116 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,2,0,0,0,0|0,0,2]=4 12117 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,2,0,0,0,0|1,0,0]=3 12118 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,2,0,0,0,0|1,0,0]=3 12119 B11R0.40 C=CCCCCCNC(C)C#N 2230a_100000737613_100000700193 [0,2,0,0,0,0|2,0,0]=4 12120 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,2,0,0,0,0|1,0,0]=3 12121 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,2,0,0,0,0|2,0,0]=4 12122 B11R0.40 C=CCCCCCOC(C)C#N 34a_100011218135_100000700193 [0,2,0,0,0,0|2,0,0]=4 12123 B11R0.40 C=CCCCCCOC(C)C#N 7a_100011216702_100000703298 [0,2,0,0,0,0|2,0,0]=4 12124 B11R0.40 C=CCCCCCOC(C)C=C 34a_100000695699_100000700193 [0,2,0,0,0,0|2,0,0]=4 12125 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,2,0,0,0,0|1,0,0]=3 12126 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,2,0,0,0,0|1,0,0]=3 12127 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,2,0,0,0,0|1,0,0]=3 12128 B11R0.40 C=CCCCCCOC(C)CF 34a_100016041109_100000700193 [0,2,0,0,0,0|2,0,0]=4 12129 B11R0.40 C=CCCCCCOC(C)CF 7a_100016041109_100000700193 [0,2,0,0,0,0|2,0,0]=4 12130 B11R0.40 C=CCCCCCOC(C)CN 34a_100000210904_100000700193 [0,2,0,0,0,0|2,0,0]=4 12131 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,2,0,0,0,0|2,0,0]=4 12132 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,2,0,0,0,0|2,0,0]=4 12133 B11R0.40 C=CCCCCCSC(C)C#N 62a_100000700193_100000703298 [0,2,0,0,0,0|2,0,0]=4 12134 B11R0.40 C=CCCCCCSC(C)C#N 62a_100000703298_100000700193 [0,2,0,0,0,0|2,0,0]=4 12135 B11R0.40 C=CCCCCCSC(C)C=C 62a_100011215867_100000700193 [0,2,0,0,0,0|2,0,0]=4 12136 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,2,0,0,0,0|1,0,0]=3 12137 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,2,0,0,0,0|1,0,0]=3 12138 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,2,0,0,0,0|2,0,0]=4 12139 B11R0.40 C=CCCCCCSC(C)OC 62a_100000700193_100009879195 [0,2,0,0,0,0|2,0,0]=4 12140 B11R0.40 C=CCCCCCSC(C)OC 62a_100009879195_100000700193 [0,2,0,0,0,0|2,0,0]=4 12141 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,2,0,0,0,0|2,0,0]=4 12142 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,2,0,0,0,0|2,0,0]=4 12143 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,2,0,0,0,0|1,0,0]=3 12144 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,2,0,0,0,0|1,0,0]=3 12145 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,2,0,0,0,0|1,0,0]=3 12146 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,2,0,0,0,0|1,0,0]=3 12147 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,2,0,0,0,0|2,0,0]=4 12148 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|1,0,0]=3 12149 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|1,0,0]=3 12150 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|1,0,0]=3 12151 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,2,0,0,0,0|2,0,0]=4 12152 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,2,0,0,0,0|2,0,0]=4 12153 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,2,0,0,0,0|1,0,0]=3 12154 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,2,0,0,0,0|1,0,0]=3 12155 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,2,0,0,0,0|2,0,0]=4 12156 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,2,0,0,0,0|2,0,0]=4 12157 B11R0.40 C=CCCCCNC[C@@H](C)OC 2230a_100020591295_100011215482 [0,2,0,0,0,0|2,0,0]=4 12158 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [0,2,0,0,0,0|2,0,0]=4 12159 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [0,2,0,0,0,0|2,0,0]=4 12160 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [0,2,0,0,0,0|2,0,0]=4 12161 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,2,0,0,0,0|2,0,0]=4 12162 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,2,0,0,0,0|2,0,0]=4 12163 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,2,0,0,0,0|2,0,0]=4 12164 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,2,0,0,0,0|1,0,1]=4 12165 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,2,0,0,0,0|1,0,1]=4 12166 B11R0.40 C=CCCCCOCC(C)C=C 34a_100011215527_100011215482 [0,2,0,0,0,0|2,0,0]=4 12167 B11R0.40 C=CCCCCOCC(C)C=C 7a_100011215527_100011215482 [0,2,0,0,0,0|2,0,0]=4 12168 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,2,0,0,0,0|1,0,0]=3 12169 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,2,0,0,0,0|1,0,0]=3 12170 B11R0.40 C=CCCCCOCC(C)CN 34a_100000744482_100011215482 [0,2,0,0,0,0|2,0,0]=4 12171 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [0,2,0,0,0,0|2,0,0]=4 12172 B11R0.40 C=CCCCCOCC(Cl)CCl 34a_100000033668_100011215482 [0,2,0,0,0,0|2,0,0]=4 12173 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|1,0,0]=3 12174 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|1,0,0]=3 12175 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,2,0,0,0,0|2,0,0]=4 12176 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,2,0,0,0,0|2,0,0]=4 12177 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,2,0,0,0,0|1,0,0]=3 12178 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,2,0,0,0,0|1,0,0]=3 12179 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,2,0,0,0,0|1,0,0]=3 12180 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,2,0,0,0,0|2,0,0]=4 12181 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,2,0,0,0,0|2,0,0]=4 12182 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,2,0,0,0,0|2,0,0]=4 12183 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,2,0,0,0,0|2,0,0]=4 12184 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,2,0,0,0,0|2,0,0]=4 12185 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,2,0,0,0,0|2,0,0]=4 12186 B11R0.40 C=CCCCCOC[C@H](F)CN 34a_100015665980_100011215482 [0,2,0,0,0,0|2,0,0]=4 12187 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,2,0,0,0,0|1,0,1]=4 12188 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,2,0,0,0,0|1,0,1]=4 12189 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,2,0,0,0,0|1,0,0]=3 12190 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,2,0,0,0,0|1,0,0]=3 12191 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|1,0,0]=3 12192 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|1,0,0]=3 12193 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,2,0,0,0,0|2,0,0]=4 12194 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,2,0,0,0,0|2,0,0]=4 12195 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,2,0,0,0,0|1,0,0]=3 12196 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,2,0,0,0,0|1,0,0]=3 12197 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,2,0,0,0,0|2,0,0]=4 12198 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,2,0,0,0,0|2,0,0]=4 12199 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [0,2,0,0,0,0|2,0,0]=4 12200 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [0,2,0,0,0,0|2,0,0]=4 12201 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,2,0,0,0,0|2,0,0]=4 12202 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,2,0,0,0,0|2,0,0]=4 12203 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,2,0,0,0,0|1,0,0]=3 12204 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,2,0,0,0,0|2,0,0]=4 12205 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,2,0,0,0,0|2,0,0]=4 12206 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,2,0,0,0,0|1,0,0]=3 12207 B11R0.40 C=CCCCOCCC(C)OC 7a_100000764861_100000757094 [0,2,0,0,0,0|2,0,0]=4 12208 B11R0.40 C=CCCNCCCN(C)CC 2230a_100015191253_100015186262 [0,2,0,0,0,0|2,0,0]=4 12209 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,2,0,0,0,0|1,0,0]=3 12210 B11R0.40 C=CCCOCCC[C@@H](C)CN 34a_100160569302_100000754431 [0,2,0,0,0,0|2,0,0]=4 12211 B11R0.40 C=CCCSCCCN(C)CC 62a_100000754431_100015186262 [0,2,0,0,0,0|2,0,0]=4 12212 B11R0.40 C=CCOCCOCC(C)CC 34a_100000037705_100000748023 [0,2,0,0,0,0|2,0,0]=4 12213 B11R0.40 C=CCOCCOCC(C)CC 7a_100000037705_100000748023 [0,2,0,0,0,0|2,0,0]=4 12214 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [0,2,0,0,0,0|2,0,0]=4 12215 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [0,2,0,0,0,0|2,0,0]=4 12216 B11R0.40 C=CCOCCOC[C@@H](C)CC 34a_100000037705_100009816398 [0,2,0,0,0,0|2,0,0]=4 12217 B11R0.40 C=CCOCCOC[C@@H](C)CC 7a_100000037705_100009816398 [0,2,0,0,0,0|2,0,0]=4 12218 B11R0.40 C=COCCCCOC(C)CC 34a_100000031558_100011215416 [0,2,0,0,0,0|2,0,0]=4 12219 B11R0.40 C=COCCCCOC(C)CC 7a_100000031558_100000758301 [0,2,0,0,0,0|2,0,0]=4 12220 B11R0.40 C=COCCCNCC(C)CC 2230a_100000210767_100000748023 [0,2,0,0,0,0|2,0,0]=4 12221 B11R0.40 C=COCCCNCC(C)CC 270004a_100000210767_100000243153 [0,2,0,0,0,0|2,0,0]=4 12222 B11R0.40 C=COCCCNCC(C)CC 34a_100000210767_100000748023 [0,2,0,0,0,0|2,0,0]=4 12223 B11R0.40 C=COCCCNCC(O)CC 2230a_100000210767_100011218378 [0,2,0,0,0,0|2,0,0]=4 12224 B11R0.40 C=COCCCNCC(O)CC 34a_100000210767_100011218378 [0,2,0,0,0,0|2,0,0]=4 12225 B11R0.40 C=COCCCNC[C@@H](C)CC 2230a_100000210767_100009816398 [0,2,0,0,0,0|2,0,0]=4 12226 B11R0.40 C=COCCCNC[C@@H](C)CC 34a_100000210767_100009816398 [0,2,0,0,0,0|2,0,0]=4 12227 B11R0.40 C=COCCNCCC(C)CC 2230a_100020591266_100000039644 [0,2,0,0,0,0|2,0,0]=4 12228 B11R0.40 C=COCCOCCC(C)CC 7a_100011215188_100000039644 [0,2,0,0,0,0|2,0,0]=4 12229 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,0]=3 12230 B11R0.40 C=C[C@H](N)COCCCCCF 34a_100016989147_100000729378 [0,2,0,0,0,0|2,0,0]=4 12231 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 12232 B11R0.40 C=C[C@H](N)COCCCCOC 34a_100016989147_100000755781 [0,2,0,0,0,0|2,0,0]=4 12233 B11R0.40 C=C[C@H](N)COCCCOCC 34a_100016989147_100012232248 [0,2,0,0,0,0|2,0,0]=4 12234 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 12235 B11R0.40 C=C[C@H](N)COCOCCCC 34a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 12236 B11R0.40 CC(C#N)NCCCCCC=O 2230a_100000737613_100000139337 [0,2,0,0,0,0|1,0,0]=3 12237 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000139337_100000703298 [0,2,0,0,0,0|1,0,0]=3 12238 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000703298_100000139337 [0,2,0,0,0,0|1,0,0]=3 12239 B11R0.40 CC(CF)OCCCCCC=O 7a_100016041109_100000139337 [0,2,0,0,0,0|1,0,0]=3 12240 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,2,0,0,0,0|1,0,0]=3 12241 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,2,0,0,0,0|1,0,0]=3 12242 B11R0.40 CC=CCCCOCC(C)CC 34a_100020645299_100000748023 [0,2,0,0,0,0|1,0,1]=4 12243 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,2,0,0,0,0|1,0,1]=4 12244 B11R0.40 CC=CCCCOC[C@@H](C)CC 34a_100020645299_100009816398 [0,2,0,0,0,0|1,0,1]=4 12245 B11R0.40 CC=CCOCCCC(C)CC 7a_100011216074_100000070051 [0,2,0,0,0,0|1,0,1]=4 12246 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,2,0,0,0,0|1,0,1]=4 12247 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|1,0,0]=3 12248 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|1,0,0]=3 12249 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|1,0,0]=3 12250 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|2,0,0]=4 12251 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|2,0,0]=4 12252 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|2,0,0]=4 12253 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|2,0,0]=4 12254 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|2,0,0]=4 12255 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|2,0,0]=4 12256 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|2,0,0]=4 12257 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,2,0,0,0,0|2,0,0]=4 12258 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,2,0,0,0,0|0,0,1]=3 12259 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,2,0,0,0,0|0,0,1]=3 12260 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|2,0,0]=4 12261 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|2,0,0]=4 12262 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|2,0,0]=4 12263 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|2,0,0]=4 12264 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|2,0,0]=4 12265 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|2,0,0]=4 12266 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|2,0,0]=4 12267 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|2,0,0]=4 12268 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 12269 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 12270 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 12271 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 12272 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,2,0,0,0,0|1,0,1]=4 12273 B11R0.40 CCC(C)CCCOCCC#N 7a_100011216074_100000184422 [0,2,0,0,0,0|1,0,1]=4 12274 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,2,0,0,0,0|1,0,1]=4 12275 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|0,0,2]=4 12276 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|2,0,0]=4 12277 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,2,0,0,0,0|2,0,0]=4 12278 B11R0.40 CCC(C)CCNCCCC#N 2230a_100020591266_100000687738 [0,2,0,0,0,0|1,0,1]=4 12279 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,2,0,0,0,0|0,0,0]=2 12280 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,2,0,0,0,0|1,0,1]=4 12281 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|0,0,2]=4 12282 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.40 CCC(C)CCOCCCC#N 7a_100011215188_100000687738 [0,2,0,0,0,0|1,0,1]=4 12284 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,2,0,0,0,0|0,0,0]=2 12285 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,2,0,0,0,0|1,0,1]=4 12286 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|0,0,2]=4 12287 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|2,0,0]=4 12288 B11R0.40 CCC(C)CNCCCCC#N 2230a_100020588543_100000211819 [0,2,0,0,0,0|1,0,1]=4 12289 B11R0.40 CCC(C)CNCCCCC#N 270004a_100000751965_100000243153 [0,2,0,0,0,0|1,0,1]=4 12290 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,2,0,0,0,0|0,0,0]=2 12291 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,2,0,0,0,0|1,0,1]=4 12292 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|0,0,2]=4 12293 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|0,0,2]=4 12294 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|0,0,2]=4 12295 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|0,0,2]=4 12296 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,2,0,0,0,0|2,0,0]=4 12297 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,2,0,0,0,0|1,0,1]=4 12298 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,2,0,0,0,0|1,0,1]=4 12299 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,2,0,0,0,0|1,0,1]=4 12300 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,2,0,0,0,0|1,0,1]=4 12301 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,2,0,0,0,0|1,0,1]=4 12302 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,2,0,0,0,0|1,0,1]=4 12303 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,2,0,0,0,0|1,0,1]=4 12304 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,2,0,0,0,0|2,0,0]=4 12305 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,2,0,0,0,0|2,0,0]=4 12306 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,2,0,0,0,0|2,0,0]=4 12307 B11R0.40 CCC(C)CSCCCCC#N 62a_100000748023_100000211819 [0,2,0,0,0,0|1,0,1]=4 12308 B11R0.40 CCC(C)CSCCCCC#N 62a_100011219923_100000748023 [0,2,0,0,0,0|1,0,1]=4 12309 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,2,0,0,0,0|0,0,0]=2 12310 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,2,0,0,0,0|0,0,0]=2 12311 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,2,0,0,0,0|1,0,1]=4 12312 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,2,0,0,0,0|1,0,1]=4 12313 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|0,0,2]=4 12314 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|0,0,2]=4 12315 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,2,0,0,0,0|2,0,0]=4 12316 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,2,0,0,0,0|2,0,0]=4 12317 B11R0.40 CCC(C)NCCCCCC#N 2230a_100000209981_100009813376 [0,2,0,0,0,0|1,0,1]=4 12318 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,2,0,0,0,0|0,0,0]=2 12319 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,2,0,0,0,0|1,0,1]=4 12320 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|0,0,2]=4 12321 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|0,0,2]=4 12322 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|0,0,2]=4 12323 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|2,0,0]=4 12324 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|2,0,0]=4 12325 B11R0.40 CCC(C)OCCCCCC#N 7a_100000210228_100009813376 [0,2,0,0,0,0|1,0,1]=4 12326 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,2,0,0,0,0|0,0,0]=2 12327 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,2,0,0,0,0|1,0,1]=4 12328 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,2,0,0,0,0|1,0,1]=4 12329 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,2,0,0,0,0|1,0,1]=4 12330 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,2,0,0,0,0|1,0,1]=4 12331 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,2,0,0,0,0|1,0,1]=4 12332 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,2,0,0,0,0|1,0,1]=4 12333 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,2,0,0,0,0|1,0,1]=4 12334 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,2,0,0,0,0|1,0,1]=4 12335 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|0,0,2]=4 12336 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,2,0,0,0,0|2,0,0]=4 12337 B11R0.40 CCC(C)SCCCCCC#N 62a_100000758301_100009813376 [0,2,0,0,0,0|1,0,1]=4 12338 B11R0.40 CCC(C)SCCCCCC#N 62a_100009813376_100000758301 [0,2,0,0,0,0|1,0,1]=4 12339 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,2,0,0,0,0|0,0,0]=2 12340 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,2,0,0,0,0|0,0,0]=2 12341 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,2,0,0,0,0|1,0,1]=4 12342 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,2,0,0,0,0|1,0,1]=4 12343 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|0,0,2]=4 12344 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|0,0,2]=4 12345 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,2,0,0,0,0|1,0,1]=4 12346 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|0,0,0]=2 12347 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,2,0,0,0,0|1,0,1]=4 12348 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 12349 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|0,0,2]=4 12350 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 12351 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,2,0,0,0,0|2,0,0]=4 12352 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|1,0,1]=4 12353 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|1,0,1]=4 12354 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|1,0,1]=4 12355 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|1,0,1]=4 12356 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|1,0,1]=4 12357 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|1,0,1]=4 12358 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,1]=4 12359 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,2,0,0,0,0|2,0,0]=4 12360 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,2,0,0,0,0|2,0,0]=4 12361 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,2,0,0,0,0|2,0,0]=4 12362 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,2,0,0,0,0|1,0,1]=4 12363 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,2,0,0,0,0|1,0,1]=4 12364 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|0,0,0]=2 12365 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|0,0,0]=2 12366 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,2,0,0,0,0|1,0,1]=4 12367 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,2,0,0,0,0|1,0,1]=4 12368 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|0,0,2]=4 12369 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|0,0,2]=4 12370 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,2,0,0,0,0|2,0,0]=4 12371 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,2,0,0,0,0|2,0,0]=4 12372 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|0,0,2]=4 12373 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,2,0,0,0,0|0,0,2]=4 12374 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,2,0,0,0,0|0,0,2]=4 12375 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,2,0,0,0,0|0,0,2]=4 12376 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,2,0,0,0,0|0,0,2]=4 12377 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,2,0,0,0,0|0,0,2]=4 12378 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|0,0,2]=4 12379 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|0,0,2]=4 12380 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|0,0,2]=4 12381 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,2,0,0,0,0|0,0,2]=4 12382 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,2,0,0,0,0|0,0,2]=4 12383 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,2,0,0,0,0|0,0,2]=4 12384 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|0,0,0]=2 12385 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|0,0,0]=2 12386 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|0,0,0]=2 12387 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,0]=2 12388 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|0,0,0]=2 12389 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|0,0,0]=2 12390 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|0,0,0]=2 12391 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|0,0,0]=2 12392 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,2,0,0,0,0|1,0,1]=4 12393 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|0,0,2]=4 12394 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|0,0,2]=4 12395 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|0,0,2]=4 12396 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|0,0,2]=4 12397 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,2,0,0,0,0|1,0,1]=4 12398 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,2,0,0,0,0|1,0,1]=4 12399 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,2,0,0,0,0|1,0,1]=4 12400 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,2,0,0,0,0|1,0,1]=4 12401 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,2,0,0,0,0|1,0,1]=4 12402 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 12403 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 12404 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 12405 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 12406 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|1,0,0]=3 12407 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|1,0,0]=3 12408 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,2,0,0,0,0|1,0,0]=3 12409 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,2,0,0,0,0|1,0,0]=3 12410 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,2,0,0,0,0|1,0,0]=3 12411 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,2,0,0,0,0|1,0,0]=3 12412 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,2,0,0,0,0|1,0,0]=3 12413 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,2,0,0,0,0|1,0,0]=3 12414 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,2,0,0,0,0|1,0,1]=4 12415 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,2,0,0,0,0|1,0,1]=4 12416 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|1,0,1]=4 12417 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|1,0,1]=4 12418 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|0,0,2]=4 12419 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|0,0,2]=4 12420 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,2,0,0,0,0|1,0,1]=4 12421 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,2,0,0,0,0|1,0,1]=4 12422 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,2,0,0,0,0|1,0,1]=4 12423 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,2,0,0,0,0|1,0,1]=4 12424 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,2,0,0,0,0|1,0,1]=4 12425 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,2,0,0,0,0|1,0,1]=4 12426 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,2,0,0,0,0|1,0,1]=4 12427 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,2,0,0,0,0|1,0,1]=4 12428 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|0,0,2]=4 12429 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|0,0,2]=4 12430 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,2,0,0,0,0|1,0,1]=4 12431 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,2,0,0,0,0|1,0,1]=4 12432 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,2,0,0,0,0|1,0,1]=4 12433 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,2,0,0,0,0|1,0,1]=4 12434 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|0,0,2]=4 12435 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,2,0,0,0,0|2,0,0]=4 12436 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,2,0,0,0,0|2,0,0]=4 12437 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,2,0,0,0,0|1,0,1]=4 12438 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,2,0,0,0,0|1,0,1]=4 12439 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|0,0,2]=4 12440 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|0,0,2]=4 12441 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,2,0,0,0,0|1,0,0]=3 12442 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,2,0,0,0,0|1,0,0]=3 12443 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|1,0,0]=3 12444 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,2,0,0,0,0|1,0,1]=4 12445 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,2,0,0,0,0|1,0,1]=4 12446 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,2,0,0,0,0|1,0,1]=4 12447 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|0,0,2]=4 12448 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|1,0,1]=4 12449 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|1,0,1]=4 12450 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,2]=4 12451 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,2,0,0,0,0|1,0,1]=4 12452 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|0,0,2]=4 12453 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,2,0,0,0,0|2,0,0]=4 12454 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|0,0,2]=4 12455 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|1,0,1]=4 12456 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,2]=4 12457 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,2]=4 12458 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|1,0,0]=3 12459 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|1,0,0]=3 12460 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|1,0,0]=3 12461 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|1,0,0]=3 12462 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|1,0,0]=3 12463 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|1,0,0]=3 12464 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|1,0,0]=3 12465 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,2,0,0,0,0|1,0,1]=4 12466 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,2,0,0,0,0|1,0,1]=4 12467 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,2,0,0,0,0|1,0,1]=4 12468 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|2,0,0]=4 12469 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,2,0,0,0,0|1,0,1]=4 12470 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|1,0,1]=4 12471 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|1,0,1]=4 12472 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 12473 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 12474 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,2,0,0,0,0|1,0,1]=4 12475 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,2,0,0,0,0|1,0,1]=4 12476 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,2,0,0,0,0|1,0,1]=4 12477 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|0,0,2]=4 12478 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|0,0,2]=4 12479 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|1,0,1]=4 12480 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|1,0,1]=4 12481 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 12482 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 12483 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,1]=4 12484 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|1,0,0]=3 12485 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|1,0,0]=3 12486 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,2,0,0,0,0|1,0,0]=3 12487 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,2,0,0,0,0|1,0,0]=3 12488 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|1,0,0]=3 12489 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|1,0,0]=3 12490 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,2,0,0,0,0|1,0,1]=4 12491 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,2,0,0,0,0|1,0,1]=4 12492 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|1,0,1]=4 12493 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|1,0,1]=4 12494 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,2]=4 12495 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,2]=4 12496 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,2,0,0,0,0|1,0,1]=4 12497 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,2,0,0,0,0|1,0,1]=4 12498 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|0,0,2]=4 12499 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|0,0,2]=4 12500 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|1,0,1]=4 12501 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|1,0,1]=4 12502 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,2]=4 12503 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,2]=4 12504 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|1,0,0]=3 12505 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|1,0,0]=3 12506 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|1,0,0]=3 12507 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|1,0,0]=3 12508 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,2,0,0,0,0|1,0,1]=4 12509 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|0,0,2]=4 12510 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|0,0,2]=4 12511 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,2,0,0,0,0|1,0,1]=4 12512 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|1,0,0]=3 12513 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|1,0,0]=3 12514 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|1,0,0]=3 12515 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|1,0,0]=3 12516 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|1,0,0]=3 12517 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,2,0,0,0,0|1,0,1]=4 12518 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,2,0,0,0,0|2,0,0]=4 12519 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|1,0,0]=3 12520 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|1,0,0]=3 12521 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|1,0,0]=3 12522 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|1,0,0]=3 12523 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|2,0,0]=4 12524 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|1,0,0]=3 12525 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|1,0,0]=3 12526 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|1,0,0]=3 12527 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|1,0,0]=3 12528 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|1,0,0]=3 12529 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|1,0,0]=3 12530 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,2,0,0,0,0|2,0,0]=4 12531 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,2,0,0,0,0|2,0,0]=4 12532 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,2,0,0,0,0|2,0,0]=4 12533 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|1,0,0]=3 12534 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|1,0,0]=3 12535 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,2,0,0,0,0|1,0,0]=3 12536 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|1,0,0]=3 12537 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|1,0,0]=3 12538 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,2,0,0,0,0|1,0,1]=4 12539 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,2,0,0,0,0|1,0,1]=4 12540 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,2,0,0,0,0|2,0,0]=4 12541 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,2,0,0,0,0|2,0,0]=4 12542 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,2,0,0,0,0|2,0,0]=4 12543 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|2,0,0]=4 12544 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|2,0,0]=4 12545 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|2,0,0]=4 12546 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|2,0,0]=4 12547 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,2,0,0,0,0|2,0,0]=4 12548 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,2,0,0,0,0|2,0,0]=4 12549 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,2,0,0,0,0|2,0,0]=4 12550 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,2,0,0,0,0|2,0,0]=4 12551 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,2,0,0,0,0|2,0,0]=4 12552 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,2,0,0,0,0|2,0,0]=4 12553 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,2,0,0,0,0|2,0,0]=4 12554 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,2,0,0,0,0|2,0,0]=4 12555 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,2,0,0,0,0|2,0,0]=4 12556 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|1,0,0]=3 12557 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|1,0,0]=3 12558 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|1,0,0]=3 12559 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|1,0,0]=3 12560 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 12561 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 12562 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 12563 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 12564 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|2,0,0]=4 12565 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|2,0,0]=4 12566 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,2,0,0,0,0|2,0,0]=4 12567 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,2,0,0,0,0|2,0,0]=4 12568 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,2,0,0,0,0|2,0,0]=4 12569 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,2,0,0,0,0|2,0,0]=4 12570 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,2,0,0,0,0|2,0,0]=4 12571 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,2,0,0,0,0|2,0,0]=4 12572 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,2,0,0,0,0|2,0,0]=4 12573 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,2,0,0,0,0|2,0,0]=4 12574 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|1,0,0]=3 12575 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|1,0,0]=3 12576 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|1,0,0]=3 12577 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 12578 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 12579 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 12580 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|2,0,0]=4 12581 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|2,0,0]=4 12582 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,2,0,0,0,0|2,0,0]=4 12583 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,2,0,0,0,0|2,0,0]=4 12584 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,2,0,0,0,0|2,0,0]=4 12585 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,2,0,0,0,0|2,0,0]=4 12586 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,2,0,0,0,0|2,0,0]=4 12587 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,2,0,0,0,0|2,0,0]=4 12588 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,2,0,0,0,0|2,0,0]=4 12589 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,2,0,0,0,0|2,0,0]=4 12590 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,2,0,0,0,0|2,0,0]=4 12591 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,2,0,0,0,0|2,0,0]=4 12592 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,2,0,0,0,0|2,0,0]=4 12593 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|2,0,0]=4 12594 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|2,0,0]=4 12595 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,2,0,0,0,0|2,0,0]=4 12596 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,2,0,0,0,0|2,0,0]=4 12597 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,2,0,0,0,0|2,0,0]=4 12598 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|2,0,0]=4 12599 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|2,0,0]=4 12600 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|2,0,0]=4 12601 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,2,0,0,0,0|2,0,0]=4 12602 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,2,0,0,0,0|2,0,0]=4 12603 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,2,0,0,0,0|2,0,0]=4 12604 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,2,0,0,0,0|2,0,0]=4 12605 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,2,0,0,0,0|2,0,0]=4 12606 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,2,0,0,0,0|2,0,0]=4 12607 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|1,0,0]=3 12608 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|1,0,0]=3 12609 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,2,0,0,0,0|2,0,0]=4 12610 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,2,0,0,0,0|2,0,0]=4 12611 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,2,0,0,0,0|2,0,0]=4 12612 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,2,0,0,0,0|2,0,0]=4 12613 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,2,0,0,0,0|2,0,0]=4 12614 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|2,0,0]=4 12615 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|2,0,0]=4 12616 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|2,0,0]=4 12617 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|2,0,0]=4 12618 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,2,0,0,0,0|1,0,1]=4 12619 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,2,0,0,0,0|1,0,1]=4 12620 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|0,0,2]=4 12621 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|0,0,2]=4 12622 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 12623 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 12624 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|1,0,0]=3 12625 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|1,0,0]=3 12626 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|1,0,0]=3 12627 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|1,0,0]=3 12628 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,2,0,0,0,0|1,0,1]=4 12629 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,2,0,0,0,0|2,0,0]=4 12630 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,2,0,0,0,0|2,0,0]=4 12631 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,2,0,0,0,0|2,0,0]=4 12632 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,2,0,0,0,0|2,0,0]=4 12633 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,2,0,0,0,0|2,0,0]=4 12634 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,2,0,0,0,0|2,0,0]=4 12635 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,2,0,0,0,0|2,0,0]=4 12636 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,2,0,0,0,0|2,0,0]=4 12637 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,2,0,0,0,0|2,0,0]=4 12638 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,2,0,0,0,0|2,0,0]=4 12639 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,2,0,0,0,0|2,0,0]=4 12640 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,2,0,0,0,0|2,0,0]=4 12641 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,2,0,0,0,0|2,0,0]=4 12642 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,2,0,0,0,0|2,0,0]=4 12643 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,2,0,0,0,0|2,0,0]=4 12644 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,2,0,0,0,0|2,0,0]=4 12645 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,2,0,0,0,0|2,0,0]=4 12646 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,2,0,0,0,0|2,0,0]=4 12647 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,2,0,0,0,0|2,0,0]=4 12648 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,2,0,0,0,0|2,0,0]=4 12649 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,2,0,0,0,0|2,0,0]=4 12650 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,2,0,0,0,0|2,0,0]=4 12651 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,2,0,0,0,0|2,0,0]=4 12652 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,2,0,0,0,0|2,0,0]=4 12653 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,2,0,0,0,0|2,0,0]=4 12654 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,2,0,0,0,0|2,0,0]=4 12655 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,2,0,0,0,0|2,0,0]=4 12656 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,2,0,0,0,0|2,0,0]=4 12657 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,2,0,0,0,0|2,0,0]=4 12658 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,2,0,0,0,0|2,0,0]=4 12659 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,2,0,0,0,0|2,0,0]=4 12660 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,2,0,0,0,0|2,0,0]=4 12661 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,2,0,0,0,0|2,0,0]=4 12662 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,2,0,0,0,0|2,0,0]=4 12663 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,2,0,0,0,0|2,0,0]=4 12664 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,2,0,0,0,0|2,0,0]=4 12665 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,2,0,0,0,0|2,0,0]=4 12666 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,2,0,0,0,0|2,0,0]=4 12667 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,2,0,0,0,0|2,0,0]=4 12668 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|1,0,0]=3 12669 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|1,0,0]=3 12670 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,2,0,0,0,0|2,0,0]=4 12671 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,2,0,0,0,0|2,0,0]=4 12672 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,2,0,0,0,0|2,0,0]=4 12673 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,2,0,0,0,0|2,0,0]=4 12674 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,2,0,0,0,0|2,0,0]=4 12675 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,2,0,0,0,0|2,0,0]=4 12676 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,2,0,0,0,0|2,0,0]=4 12677 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,2,0,0,0,0|2,0,0]=4 12678 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,2,0,0,0,0|2,0,0]=4 12679 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,2,0,0,0,0|2,0,0]=4 12680 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,2,0,0,0,0|2,0,0]=4 12681 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,2,0,0,0,0|2,0,0]=4 12682 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,2,0,0,0,0|2,0,0]=4 12683 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,2,0,0,0,0|2,0,0]=4 12684 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,2,0,0,0,0|2,0,0]=4 12685 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,2,0,0,0,0|2,0,0]=4 12686 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,2,0,0,0,0|2,0,0]=4 12687 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,2,0,0,0,0|2,0,0]=4 12688 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|0,0,2]=4 12689 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|0,0,2]=4 12690 B11R0.40 CC[C@H](C)COCCCCC#N 7a_100009816381_100000211819 [0,2,0,0,0,0|1,0,1]=4 12691 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,2,0,0,0,0|0,0,0]=2 12692 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,2,0,0,0,0|1,0,1]=4 12693 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,2,0,0,0,0|1,0,1]=4 12694 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,2,0,0,0,0|1,0,1]=4 12695 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,2,0,0,0,0|1,0,1]=4 12696 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,2,0,0,0,0|1,0,1]=4 12697 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,2,0,0,0,0|1,0,1]=4 12698 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,2,0,0,0,0|1,0,1]=4 12699 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,2,0,0,0,0|1,0,1]=4 12700 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|0,0,2]=4 12701 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,2,0,0,0,0|2,0,0]=4 12702 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,2,0,0,0,0|2,0,0]=4 12703 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,2,0,0,0,0|2,0,0]=4 12704 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,2,0,0,0,0|2,0,0]=4 12705 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100009816398_100000211819 [0,2,0,0,0,0|1,0,1]=4 12706 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100011219923_100009816398 [0,2,0,0,0,0|1,0,1]=4 12707 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,2,0,0,0,0|0,0,0]=2 12708 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,2,0,0,0,0|0,0,0]=2 12709 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,2,0,0,0,0|1,0,1]=4 12710 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,2,0,0,0,0|1,0,1]=4 12711 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|0,0,2]=4 12712 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|0,0,2]=4 12713 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,2,0,0,0,0|2,0,0]=4 12714 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,2,0,0,0,0|2,0,0]=4 12715 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|1,0,0]=3 12716 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,2,0,0,0,0|2,0,0]=4 12717 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,2,0,0,0,0|2,0,0]=4 12718 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,2,0,0,0,0|2,0,0]=4 12719 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,2,0,0,0,0|2,0,0]=4 12720 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,2,0,0,0,0|2,0,0]=4 12721 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,2,0,0,0,0|2,0,0]=4 12722 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,2,0,0,0,0|2,0,0]=4 12723 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,2,0,0,0,0|2,0,0]=4 12724 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,2,0,0,0,0|2,0,0]=4 12725 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,2,0,0,0,0|2,0,0]=4 12726 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,2,0,0,0,0|2,0,0]=4 12727 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,2,0,0,0,0|2,0,0]=4 12728 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,2,0,0,0,0|2,0,0]=4 12729 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,2,0,0,0,0|2,0,0]=4 12730 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,2,0,0,0,0|2,0,0]=4 12731 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,2,0,0,0,0|2,0,0]=4 12732 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,2,0,0,0,0|2,0,0]=4 12733 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,2,0,0,0,0|2,0,0]=4 12734 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,2,0,0,0,0|2,0,0]=4 12735 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,2,0,0,0,0|2,0,0]=4 12736 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,2,0,0,0,0|2,0,0]=4 12737 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,2,0,0,0,0|2,0,0]=4 12738 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,2,0,0,0,0|2,0,0]=4 12739 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,2,0,0,0,0|2,0,0]=4 12740 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,2,0,0,0,0|2,0,0]=4 12741 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,2,0,0,0,0|2,0,0]=4 12742 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,2,0,0,0,0|2,0,0]=4 12743 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,2,0,0,0,0|1,0,1]=4 12744 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,2,0,0,0,0|2,0,0]=4 12745 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,2,0,0,0,0|2,0,0]=4 12746 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,2,0,0,0,0|2,0,0]=4 12747 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,2,0,0,0,0|2,0,0]=4 12748 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,2,0,0,0,0|2,0,0]=4 12749 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,2,0,0,0,0|2,0,0]=4 12750 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,2,0,0,0,0|2,0,0]=4 12751 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,2,0,0,0,0|2,0,0]=4 12752 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,2,0,0,0,0|2,0,0]=4 12753 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,2,0,0,0,0|2,0,0]=4 12754 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,2,0,0,0,0|2,0,0]=4 12755 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,2,0,0,0,0|2,0,0]=4 12756 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,2,0,0,0,0|2,0,0]=4 12757 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,2,0,0,0,0|2,0,0]=4 12758 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,2,0,0,0,0|2,0,0]=4 12759 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,2,0,0,0,0|2,0,0]=4 12760 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,2,0,0,0,0|2,0,0]=4 12761 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,2,0,0,0,0|2,0,0]=4 12762 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|2,0,0]=4 12763 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,2,0,0,0,0|2,0,0]=4 12764 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,2,0,0,0,0|2,0,0]=4 12765 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,2,0,0,0,0|2,0,0]=4 12766 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,2,0,0,0,0|2,0,0]=4 12767 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,2,0,0,0,0|1,0,1]=4 12768 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,2,0,0,0,0|1,0,1]=4 12769 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,2,0,0,0,0|2,0,0]=4 12770 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,2,0,0,0,0|2,0,0]=4 12771 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,2,0,0,0,0|2,0,0]=4 12772 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,2,0,0,0,0|2,0,0]=4 12773 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,2,0,0,0,0|2,0,0]=4 12774 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,2,0,0,0,0|2,0,0]=4 12775 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,2,0,0,0,0|1,0,1]=4 12776 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,2,0,0,0,0|2,0,0]=4 12777 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,2,0,0,0,0|2,0,0]=4 12778 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,2,0,0,0,0|2,0,0]=4 12779 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,2,0,0,0,0|2,0,0]=4 12780 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,2,0,0,0,0|2,0,0]=4 12781 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,2,0,0,0,0|2,0,0]=4 12782 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,2,0,0,0,0|2,0,0]=4 12783 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,2,0,0,0,0|2,0,0]=4 12784 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,2,0,0,0,0|2,0,0]=4 12785 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,2,0,0,0,0|2,0,0]=4 12786 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,2,0,0,0,0|2,0,0]=4 12787 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,2,0,0,0,0|2,0,0]=4 12788 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,2,0,0,0,0|2,0,0]=4 12789 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|2,0,0]=4 12790 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,2,0,0,0,0|2,0,0]=4 12791 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,2,0,0,0,0|2,0,0]=4 12792 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,2,0,0,0,0|2,0,0]=4 12793 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,2,0,0,0,0|2,0,0]=4 12794 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,2,0,0,0,0|1,0,1]=4 12795 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,2,0,0,0,0|1,0,1]=4 12796 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,2,0,0,0,0|2,0,0]=4 12797 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,2,0,0,0,0|2,0,0]=4 12798 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,2,0,0,0,0|2,0,0]=4 12799 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,2,0,0,0,0|2,0,0]=4 12800 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,2,0,0,0,0|2,0,0]=4 12801 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,2,0,0,0,0|2,0,0]=4 12802 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|2,0,0]=4 12803 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|2,0,0]=4 12804 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|2,0,0]=4 12805 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|2,0,0]=4 12806 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|2,0,0]=4 12807 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,2,0,0,0,0|2,0,0]=4 12808 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,2,0,0,0,0|2,0,0]=4 12809 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,2,0,0,0,0|2,0,0]=4 12810 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,2,0,0,0,0|2,0,0]=4 12811 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,2,0,0,0,0|2,0,0]=4 12812 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,2,0,0,0,0|2,0,0]=4 12813 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|1,0,0]=3 12814 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|1,0,0]=3 12815 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|1,0,0]=3 12816 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,2,0,0,0,0|2,0,0]=4 12817 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,2,0,0,0,0|2,0,0]=4 12818 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|1,0,0]=3 12819 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|1,0,0]=3 12820 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|1,0,0]=3 12821 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|1,0,0]=3 12822 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|1,0,0]=3 12823 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|1,0,0]=3 12824 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,2,0,0,0,0|2,0,0]=4 12825 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,2,0,0,0,0|2,0,0]=4 12826 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,2,0,0,0,0|2,0,0]=4 12827 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,2,0,0,0,0|2,0,0]=4 12828 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,2,0,0,0,0|2,0,0]=4 12829 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,2,0,0,0,0|2,0,0]=4 12830 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,2,0,0,0,0|2,0,0]=4 12831 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,2,0,0,0,0|1,0,1]=4 12832 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,2,0,0,0,0|1,0,1]=4 12833 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,2,0,0,0,0|2,0,0]=4 12834 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,2,0,0,0,0|2,0,0]=4 12835 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,2,0,0,0,0|2,0,0]=4 12836 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,2,0,0,0,0|2,0,0]=4 12837 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|2,0,0]=4 12838 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|2,0,0]=4 12839 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,2,0,0,0,0|2,0,0]=4 12840 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,2,0,0,0,0|1,0,1]=4 12841 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,2,0,0,0,0|1,0,1]=4 12842 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,2,0,0,0,0|2,0,0]=4 12843 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,2,0,0,0,0|2,0,0]=4 12844 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,2,0,0,0,0|2,0,0]=4 12845 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,2,0,0,0,0|2,0,0]=4 12846 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,2,0,0,0,0|2,0,0]=4 12847 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,2,0,0,0,0|2,0,0]=4 12848 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,2,0,0,0,0|2,0,0]=4 12849 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,2,0,0,0,0|2,0,0]=4 12850 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,2,0,0,0,0|2,0,0]=4 12851 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,2,0,0,0,0|2,0,0]=4 12852 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,2,0,0,0,0|2,0,0]=4 12853 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,2,0,0,0,0|2,0,0]=4 12854 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,2,0,0,0,0|2,0,0]=4 12855 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,2,0,0,0,0|2,0,0]=4 12856 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,2,0,0,0,0|2,0,0]=4 12857 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,2,0,0,0,0|2,0,0]=4 12858 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,2,0,0,0,0|2,0,0]=4 12859 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,2,0,0,0,0|2,0,0]=4 12860 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,2,0,0,0,0|2,0,0]=4 12861 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,2,0,0,0,0|2,0,0]=4 12862 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,2,0,0,0,0|2,0,0]=4 12863 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,2,0,0,0,0|2,0,0]=4 12864 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,2,0,0,0,0|2,0,0]=4 12865 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,2,0,0,0,0|2,0,0]=4 12866 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,2,0,0,0,0|2,0,0]=4 12867 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,2,0,0,0,0|2,0,0]=4 12868 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,2,0,0,0,0|2,0,0]=4 12869 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,2,0,0,0,0|2,0,0]=4 12870 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,2,0,0,0,0|2,0,0]=4 12871 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,2,0,0,0,0|2,0,0]=4 12872 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,2,0,0,0,0|2,0,0]=4 12873 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,2,0,0,0,0|2,0,0]=4 12874 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,2,0,0,0,0|2,0,0]=4 12875 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,2,0,0,0,0|1,0,1]=4 12876 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,2,0,0,0,0|1,0,1]=4 12877 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,2,0,0,0,0|2,0,0]=4 12878 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,2,0,0,0,0|2,0,0]=4 12879 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,2,0,0,0,0|2,0,0]=4 12880 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,2,0,0,0,0|2,0,0]=4 12881 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|2,0,0]=4 12882 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|2,0,0]=4 12883 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,2,0,0,0,0|2,0,0]=4 12884 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,2,0,0,0,0|2,0,0]=4 12885 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,2,0,0,0,0|2,0,0]=4 12886 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,2,0,0,0,0|2,0,0]=4 12887 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,2,0,0,0,0|2,0,0]=4 12888 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,2,0,0,0,0|2,0,0]=4 12889 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,2,0,0,0,0|2,0,0]=4 12890 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,2,0,0,0,0|2,0,0]=4 12891 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,2,0,0,0,0|2,0,0]=4 12892 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,2,0,0,0,0|1,0,1]=4 12893 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,2,0,0,0,0|1,0,1]=4 12894 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,2,0,0,0,0|2,0,0]=4 12895 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,2,0,0,0,0|2,0,0]=4 12896 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|2,0,0]=4 12897 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|2,0,0]=4 12898 B11R0.40 COC(C)CCOCCCC=O 7a_100000764861_200011292268 [0,2,0,0,0,0|1,0,0]=3 12899 B11R0.40 COC(C)SCCCCCC=O 62a_100000139337_100009879195 [0,2,0,0,0,0|1,0,0]=3 12900 B11R0.40 COC(C)SCCCCCC=O 62a_100009879195_100000139337 [0,2,0,0,0,0|1,0,0]=3 12901 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|1,0,0]=3 12902 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|1,0,0]=3 12903 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|1,0,0]=3 12904 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|1,0,0]=3 12905 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|2,0,0]=4 12906 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|2,0,0]=4 12907 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,2,0,0,0,0|2,0,0]=4 12908 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,2,0,0,0,0|2,0,0]=4 12909 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,2,0,0,0,0|2,0,0]=4 12910 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,2,0,0,0,0|2,0,0]=4 12911 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,2,0,0,0,0|2,0,0]=4 12912 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,2,0,0,0,0|2,0,0]=4 12913 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,2,0,0,0,0|2,0,0]=4 12914 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,2,0,0,0,0|2,0,0]=4 12915 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|2,0,0]=4 12916 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,2,0,0,0,0|2,0,0]=4 12917 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,2,0,0,0,0|2,0,0]=4 12918 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,2,0,0,0,0|2,0,0]=4 12919 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,2,0,0,0,0|2,0,0]=4 12920 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,2,0,0,0,0|2,0,0]=4 12921 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,2,0,0,0,0|2,0,0]=4 12922 B11R0.40 CO[C@H](C)CNCCCCC=O 2230a_100020591295_100000139335 [0,2,0,0,0,0|1,0,0]=3 12923 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,2,0,0,0,0|2,0,0]=4 12924 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,2,0,0,0,0|1,0,0]=3 12925 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,2,0,0,0,0|1,0,0]=3 12926 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,2,0,0,0,0|1,0,0]=3 12927 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,2,0,0,0,0|1,0,0]=3 12928 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,2,0,0,0,0|1,0,0]=3 12929 B11R0.40 N#CC(F)SCCCCCC=O 62a_100000139337_200000117898 [0,2,0,0,0,0|1,0,1]=4 12930 B11R0.40 N#CC(F)SCCCCCC=O 62a_200000117898_100000139337 [0,2,0,0,0,0|1,0,1]=4 12931 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,2,0,0,0,0|1,0,1]=4 12932 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,2,0,0,0,0|2,0,0]=4 12933 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,2,0,0,0,0|2,0,0]=4 12934 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|1,0,0]=3 12935 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|1,0,0]=3 12936 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|2,0,0]=4 12937 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|2,0,0]=4 12938 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,2,0,0,0,0|1,0,0]=3 12939 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,2,0,0,0,0|1,0,0]=3 12940 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,2,0,0,0,0|1,0,0]=3 12941 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,2,0,0,0,0|1,0,0]=3 12942 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,2,0,0,0,0|1,0,0]=3 12943 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,2,0,0,0,0|1,0,0]=3 12944 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,2,0,0,0,0|1,0,0]=3 12945 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,2,0,0,0,0|1,0,1]=4 12946 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,2,0,0,0,0|2,0,0]=4 12947 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,2,0,0,0,0|1,0,1]=4 12948 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,2,0,0,0,0|1,0,1]=4 12949 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,2,0,0,0,0|1,0,1]=4 12950 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|1,0,1]=4 12951 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|1,0,1]=4 12952 B11R0.42 C=CCCCCCN(C)C(C)C 269982a_200000211004_100000700193 [0,2,0,0,0,0|2,0,0]=4 12953 B11R0.42 C=CCCCCNC(C)C(C)C 2230a_100000211541_100011215482 [0,2,0,0,0,0|2,0,0]=4 12954 B11R0.42 C=CCCCCOC(C)C(C)C 7a_100000748068_100011215482 [0,2,0,0,0,0|2,0,0]=4 12955 B11R0.42 C=CCCCNCC(O)C(C)C 2230a_100000759067_100011713584 [0,2,0,0,0,0|2,0,0]=4 12956 B11R0.42 C=CCCCNCC(O)C(C)C 34a_100000759067_100000757094 [0,2,0,0,0,0|2,0,0]=4 12957 B11R0.42 C=CCCCOC[C@H](N)C(C)C 34a_100011830312_100000757094 [0,2,0,0,0,0|2,0,0]=4 12958 B11R0.42 C=CCCOCCC(N)C(C)C 34a_100161115045_100000754431 [0,2,0,0,0,0|2,0,0]=4 12959 B11R0.42 CC(=O)C(C)COCCCC=O 7a_100000032740_200011292268 [0,2,0,0,0,0|1,0,1]=4 12960 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,2,0,0,0,0|2,0,0]=4 12961 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,2,0,0,0,0|2,0,0]=4 12962 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|2,0,0]=4 12963 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|2,0,0]=4 12964 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,2,0,0,0,0|2,0,0]=4 12965 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,2,0,0,0,0|2,0,0]=4 12966 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,2,0,0,0,0|2,0,0]=4 12967 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,2,0,0,0,0|2,0,0]=4 12968 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,2,0,0,0,0|2,0,0]=4 12969 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,2,0,0,0,0|2,0,0]=4 12970 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100000139335_100009814033 [0,2,0,0,0,0|1,0,1]=4 12971 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100009814033_100000139335 [0,2,0,0,0,0|1,0,1]=4 12972 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,2,0,0,0,0|2,0,0]=4 12973 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,2,0,0,0,0|2,0,0]=4 12974 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,2,0,0,0,0|2,0,0]=4 12975 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,2,0,0,0,0|2,0,0]=4 12976 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_100000753385_200011292268 [0,2,0,0,0,0|1,0,1]=4 12977 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_200011292268_100000753385 [0,2,0,0,0,0|1,0,1]=4 12978 B11R0.42 CC(C)C(C)NCCCCC=O 2230a_100000211541_100000139335 [0,2,0,0,0,0|1,0,0]=3 12979 B11R0.42 CC(C)C(C)OCCCCC=O 7a_100000748068_100000139335 [0,2,0,0,0,0|1,0,0]=3 12980 B11R0.42 CC(C)C(O)CNCCCC=O 2230a_100000759067_200011292268 [0,2,0,0,0,0|1,0,0]=3 12981 B11R0.42 CC(C)N(C)CCCCCC=O 269982a_200000211004_100000139337 [0,2,0,0,0,0|1,0,0]=3 12982 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|2,0,0]=4 12983 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|2,0,0]=4 12984 B11R0.42 CC(NCCCCCO)C(=O)N 2230a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 12985 B11R0.42 CC(NCCCCCO)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 12986 B11R0.42 CC(OCCCCCBr)C(=O)N 34a_100000746331_100000702099 [0,2,0,0,0,0|2,0,0]=4 12987 B11R0.42 CC(OCCCCCBr)C(=O)N 7a_100000746331_100000702099 [0,2,0,0,0,0|2,0,0]=4 12988 B11R0.42 CC(OCCCCCCl)C(=O)N 34a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 12989 B11R0.42 CC(OCCCCCCl)C(=O)N 7a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 12990 B11R0.42 CC(OCCCCCI)C(=O)N 34a_200012148887_100000702099 [0,2,0,0,0,0|2,0,0]=4 12991 B11R0.42 CC(OCCCCCI)C(=O)N 7a_200012148887_100000702099 [0,2,0,0,0,0|2,0,0]=4 12992 B11R0.42 CC(OCCCCCN)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 12993 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000702099_100000729378 [0,2,0,0,0,0|2,0,0]=4 12994 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000729378_100000702099 [0,2,0,0,0,0|2,0,0]=4 12995 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000702099_100000746330 [0,2,0,0,0,0|2,0,0]=4 12996 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 12997 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|0,0,0]=2 12998 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,2,0,0,0,0|2,0,0]=4 12999 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,2,0,0,0,0|2,0,0]=4 13000 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,2,0,0,0,0|2,0,0]=4 13001 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,2,0,0,0,0|1,0,0]=3 13002 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,2,0,0,0,0|1,0,0]=3 13003 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,2,0,0,0,0|1,0,0]=3 13004 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,2,0,0,0,0|1,0,0]=3 13005 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,2,0,0,0,0|1,0,1]=4 13006 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,2,0,0,0,0|1,0,0]=3 13007 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,2,0,0,0,0|1,0,0]=3 13008 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,2,0,0,0,0|1,0,0]=3 13009 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|1,0,0]=3 13010 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,2,0,0,0,0|1,0,0]=3 13011 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,2,0,0,0,0|1,0,0]=3 13012 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|1,0,0]=3 13013 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|1,0,0]=3 13014 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,2,0,0,0,0|1,0,0]=3 13015 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,2,0,0,0,0|1,0,0]=3 13016 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,2,0,0,0,0|1,0,0]=3 13017 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,2,0,0,0,0|1,0,0]=3 13018 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,2,0,0,0,0|1,0,0]=3 13019 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,2,0,0,0,0|1,0,0]=3 13020 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,2,0,0,0,0|1,0,0]=3 13021 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,2,0,0,0,0|1,0,0]=3 13022 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,2,0,0,0,0|1,0,0]=3 13023 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,2,0,0,0,0|1,0,0]=3 13024 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,2,0,0,0,0|1,0,0]=3 13025 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,2,0,0,0,0|1,0,0]=3 13026 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,2,0,0,0,0|1,0,0]=3 13027 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,2,0,0,0,0|1,0,0]=3 13028 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,2,0,0,0,0|1,0,0]=3 13029 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,2,0,0,0,0|1,0,0]=3 13030 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|1,0,0]=3 13031 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|1,0,0]=3 13032 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|1,0,1]=4 13033 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|1,0,0]=3 13034 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|1,0,0]=3 13035 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000718602 [0,2,0,0,0,0|2,0,0]=4 13036 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210326 [0,2,0,0,0,0|2,0,0]=4 13037 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|1,0,0]=3 13038 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,2,0,0,0,0|1,0,1]=4 13039 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,2,0,0,0,0|1,0,1]=4 13040 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|2,0,0]=4 13041 B11R0.42 CCCCOCN[C@H](C)C(=O)N 2230a_100000119354_100011995733 [0,2,0,0,0,0|2,0,0]=4 13042 B11R0.42 CCCCOCN[C@H](C)C(=O)N 34a_100000119354_100011995733 [0,2,0,0,0,0|2,0,0]=4 13043 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,2,0,0,0,0|2,0,0]=4 13044 B11R0.42 CCCCOCO[C@H](C)C(=O)N 34a_100000731257_100011995733 [0,2,0,0,0,0|2,0,0]=4 13045 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,2,0,0,0,0|2,0,0]=4 13046 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,2,0,0,0,0|2,0,0]=4 13047 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100000702099_100011995733 [0,2,0,0,0,0|2,0,0]=4 13048 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100011995733_100000702099 [0,2,0,0,0,0|2,0,0]=4 13049 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100009813875_100011995733 [0,2,0,0,0,0|2,0,0]=4 13050 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100011995733_100009813875 [0,2,0,0,0,0|2,0,0]=4 13051 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100011995733_100020610796 [0,2,0,0,0,0|2,0,0]=4 13052 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100020610796_100011995733 [0,2,0,0,0,0|2,0,0]=4 13053 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,2,0,0,0,0|2,0,0]=4 13054 B11R0.42 CCCOCCNC(C)C(=O)N 2230a_100161115042_100000702099 [0,2,0,0,0,0|2,0,0]=4 13055 B11R0.42 CCCOCCNC(C)C(=O)N 34a_100161115042_100000702099 [0,2,0,0,0,0|2,0,0]=4 13056 B11R0.42 CCCOCCNC(F)C(=O)N 2230a_100161115042_100009813875 [0,2,0,0,0,0|2,0,0]=4 13057 B11R0.42 CCCOCCNC(F)C(=O)N 34a_100161115042_100009813875 [0,2,0,0,0,0|2,0,0]=4 13058 B11R0.42 CCCOCCNC(F)C(=O)[O-] 34a_100161115042_100020610796 [0,2,0,0,0,0|2,0,0]=4 13059 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|2,0,0]=4 13060 B11R0.42 CCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215938 [0,2,0,0,0,0|2,0,0]=4 13061 B11R0.42 CCCOCCN[C@H](C)C(=O)N 34a_100000119354_100011215938 [0,2,0,0,0,0|2,0,0]=4 13062 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,2,0,0,0,0|2,0,0]=4 13063 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,2,0,0,0,0|2,0,0]=4 13064 B11R0.42 CCCOCCOC(C)C(=O)N 34a_100000752267_100000702099 [0,2,0,0,0,0|2,0,0]=4 13065 B11R0.42 CCCOCCOC(C)C(=O)N 7a_100000752267_100000702099 [0,2,0,0,0,0|2,0,0]=4 13066 B11R0.42 CCCOCCOC(F)C(=O)N 34a_100000752267_100009813875 [0,2,0,0,0,0|2,0,0]=4 13067 B11R0.42 CCCOCCOC(F)C(=O)N 7a_100000752267_100009813875 [0,2,0,0,0,0|2,0,0]=4 13068 B11R0.42 CCCOCCOC(F)C(=O)[O-] 34a_100000752267_100020610796 [0,2,0,0,0,0|2,0,0]=4 13069 B11R0.42 CCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215938 [0,2,0,0,0,0|2,0,0]=4 13070 B11R0.42 CCCOCCO[C@H](C)C(=O)N 34a_100000731257_100011215938 [0,2,0,0,0,0|2,0,0]=4 13071 B11R0.42 CCCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215938 [0,2,0,0,0,0|2,0,0]=4 13072 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,2,0,0,0,0|2,0,0]=4 13073 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,2,0,0,0,0|2,0,0]=4 13074 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100000702099_100011215938 [0,2,0,0,0,0|2,0,0]=4 13075 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100011215938_100000702099 [0,2,0,0,0,0|2,0,0]=4 13076 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100009813875_100011215938 [0,2,0,0,0,0|2,0,0]=4 13077 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100011215938_100009813875 [0,2,0,0,0,0|2,0,0]=4 13078 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100011215938_100020610796 [0,2,0,0,0,0|2,0,0]=4 13079 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215938 [0,2,0,0,0,0|2,0,0]=4 13080 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,2,0,0,0,0|2,0,0]=4 13081 B11R0.42 CCCSCCNC(C)C(=O)N 2230a_100020603323_100000702099 [0,2,0,0,0,0|2,0,0]=4 13082 B11R0.42 CCCSCCNC(F)C(=O)N 2230a_100020603323_100009813875 [0,2,0,0,0,0|2,0,0]=4 13083 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,2,0,0,0,0|2,0,0]=4 13084 B11R0.42 CCCSCCOC(C)C(=O)N 34a_200000230433_100000702099 [0,2,0,0,0,0|2,0,0]=4 13085 B11R0.42 CCCSCCOC(C)C(=O)N 7a_200000230433_100000702099 [0,2,0,0,0,0|2,0,0]=4 13086 B11R0.42 CCCSCCOC(F)C(=O)N 34a_200000230433_100009813875 [0,2,0,0,0,0|2,0,0]=4 13087 B11R0.42 CCCSCCOC(F)C(=O)N 7a_200000230433_100009813875 [0,2,0,0,0,0|2,0,0]=4 13088 B11R0.42 CCCSCCOC(F)C(=O)[O-] 34a_200000230433_100020610796 [0,2,0,0,0,0|2,0,0]=4 13089 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,2,0,0,0,0|2,0,0]=4 13090 B11R0.42 CCOCCCNC(C)C(=O)N 2230a_100000210961_100000702099 [0,2,0,0,0,0|2,0,0]=4 13091 B11R0.42 CCOCCCNC(C)C(=O)N 34a_100000210961_100000702099 [0,2,0,0,0,0|2,0,0]=4 13092 B11R0.42 CCOCCCNC(F)C(=O)N 2230a_100000210961_100009813875 [0,2,0,0,0,0|2,0,0]=4 13093 B11R0.42 CCOCCCNC(F)C(=O)N 34a_100000210961_100009813875 [0,2,0,0,0,0|2,0,0]=4 13094 B11R0.42 CCOCCCNC(F)C(=O)[O-] 34a_100000210961_100020610796 [0,2,0,0,0,0|2,0,0]=4 13095 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|2,0,0]=4 13096 B11R0.42 CCOCCCN[C@H](C)C(=O)N 2230a_100000119354_100012232248 [0,2,0,0,0,0|2,0,0]=4 13097 B11R0.42 CCOCCCN[C@H](C)C(=O)N 34a_100000119354_100012232248 [0,2,0,0,0,0|2,0,0]=4 13098 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,2,0,0,0,0|2,0,0]=4 13099 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,2,0,0,0,0|2,0,0]=4 13100 B11R0.42 CCOCCCOC(C)C(=O)N 34a_100000757476_100000702099 [0,2,0,0,0,0|2,0,0]=4 13101 B11R0.42 CCOCCCOC(C)C(=O)N 7a_100000757476_100000702099 [0,2,0,0,0,0|2,0,0]=4 13102 B11R0.42 CCOCCCOC(F)C(=O)N 34a_100000757476_100009813875 [0,2,0,0,0,0|2,0,0]=4 13103 B11R0.42 CCOCCCOC(F)C(=O)N 7a_100000757476_100009813875 [0,2,0,0,0,0|2,0,0]=4 13104 B11R0.42 CCOCCCOC(F)C(=O)[O-] 34a_100000757476_100020610796 [0,2,0,0,0,0|2,0,0]=4 13105 B11R0.42 CCOCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012232248 [0,2,0,0,0,0|2,0,0]=4 13106 B11R0.42 CCOCCCO[C@H](C)C(=O)N 34a_100000731257_100012232248 [0,2,0,0,0,0|2,0,0]=4 13107 B11R0.42 CCOCCCO[C@H](C)C(=O)N 7a_100000731257_100012232248 [0,2,0,0,0,0|2,0,0]=4 13108 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,2,0,0,0,0|2,0,0]=4 13109 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,2,0,0,0,0|2,0,0]=4 13110 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100000702099_100012232248 [0,2,0,0,0,0|2,0,0]=4 13111 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100012232248_100000702099 [0,2,0,0,0,0|2,0,0]=4 13112 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100009813875_100012232248 [0,2,0,0,0,0|2,0,0]=4 13113 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100012232248_100009813875 [0,2,0,0,0,0|2,0,0]=4 13114 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100012232248_100020610796 [0,2,0,0,0,0|2,0,0]=4 13115 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100020610796_100012232248 [0,2,0,0,0,0|2,0,0]=4 13116 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|2,0,0]=4 13117 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,2,0,0,0,0|2,0,0]=4 13118 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,2,0,0,0,0|2,0,0]=4 13119 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,2,0,0,0,0|2,0,0]=4 13120 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|2,0,0]=4 13121 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,2,0,0,0,0|2,0,0]=4 13122 B11R0.42 CCSCCCOC(C)C(=O)N 34a_100011216438_100000702099 [0,2,0,0,0,0|2,0,0]=4 13123 B11R0.42 CCSCCCOC(C)C(=O)N 7a_100011216438_100000702099 [0,2,0,0,0,0|2,0,0]=4 13124 B11R0.42 CCSCCCOC(F)C(=O)N 34a_100011216438_100009813875 [0,2,0,0,0,0|2,0,0]=4 13125 B11R0.42 CCSCCCOC(F)C(=O)N 7a_100011216438_100009813875 [0,2,0,0,0,0|2,0,0]=4 13126 B11R0.42 CCSCCCOC(F)C(=O)[O-] 34a_100011216438_100020610796 [0,2,0,0,0,0|2,0,0]=4 13127 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|2,0,0]=4 13128 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,2,0,0,0,0|2,0,0]=4 13129 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,2,0,0,0,0|2,0,0]=4 13130 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,2,0,0,0,0|2,0,0]=4 13131 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 13132 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|2,0,0]=4 13133 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,2,0,0,0,0|2,0,0]=4 13134 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,2,0,0,0,0|2,0,0]=4 13135 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,2,0,0,0,0|2,0,0]=4 13136 B11R0.42 COCCCCOC(C)C(=O)N 34a_100000740925_100000702099 [0,2,0,0,0,0|2,0,0]=4 13137 B11R0.42 COCCCCOC(F)C(=O)N 34a_100000740925_100009813875 [0,2,0,0,0,0|2,0,0]=4 13138 B11R0.42 COCCCCOC(F)C(=O)[O-] 34a_100000740925_100020610796 [0,2,0,0,0,0|2,0,0]=4 13139 B11R0.42 COCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730899 [0,2,0,0,0,0|2,0,0]=4 13140 B11R0.42 COCCCCO[C@H](C)C(=O)N 34a_100000731257_100000755781 [0,2,0,0,0,0|2,0,0]=4 13141 B11R0.42 COCCCCO[C@H](C)C(=O)N 7a_100000731257_100000730899 [0,2,0,0,0,0|2,0,0]=4 13142 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,2,0,0,0,0|2,0,0]=4 13143 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,2,0,0,0,0|2,0,0]=4 13144 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000702099_100000730899 [0,2,0,0,0,0|2,0,0]=4 13145 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000730899_100000702099 [0,2,0,0,0,0|2,0,0]=4 13146 B11R0.42 COCCCCSC(F)C(=O)N 62a_100000730899_100009813875 [0,2,0,0,0,0|2,0,0]=4 13147 B11R0.42 COCCCCSC(F)C(=O)N 62a_100009813875_100000730899 [0,2,0,0,0,0|2,0,0]=4 13148 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100000730899_100020610796 [0,2,0,0,0,0|2,0,0]=4 13149 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100020610796_100000730899 [0,2,0,0,0,0|2,0,0]=4 13150 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|2,0,0]=4 13151 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,2,0,0,0,0|2,0,0]=4 13152 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,2,0,0,0,0|2,0,0]=4 13153 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,2,0,0,0,0|2,0,0]=4 13154 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|2,0,0]=4 13155 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,2,0,0,0,0|2,0,0]=4 13156 B11R0.42 CSCCCCOC(C)C(=O)N 34a_100011217163_100000702099 [0,2,0,0,0,0|2,0,0]=4 13157 B11R0.42 CSCCCCOC(C)C(=O)N 7a_100011217163_100000702099 [0,2,0,0,0,0|2,0,0]=4 13158 B11R0.42 CSCCCCOC(F)C(=O)N 34a_100011217163_100009813875 [0,2,0,0,0,0|2,0,0]=4 13159 B11R0.42 CSCCCCOC(F)C(=O)N 7a_100011217163_100009813875 [0,2,0,0,0,0|2,0,0]=4 13160 B11R0.42 CSCCCCOC(F)C(=O)[O-] 34a_100011217163_100020610796 [0,2,0,0,0,0|2,0,0]=4 13161 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 2230a_100000119354_100000729378 [0,2,0,0,0,0|2,0,0]=4 13162 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 34a_100000119354_100000729378 [0,2,0,0,0,0|2,0,0]=4 13163 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 2230a_100000119354_100000746330 [0,2,0,0,0,0|2,0,0]=4 13164 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 34a_100000119354_100000746330 [0,2,0,0,0,0|2,0,0]=4 13165 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 34a_100000731257_100000729378 [0,2,0,0,0,0|2,0,0]=4 13166 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 7a_100000731257_100000729378 [0,2,0,0,0,0|2,0,0]=4 13167 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 34a_100000731257_100000746330 [0,2,0,0,0,0|2,0,0]=4 13168 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 7a_100000731257_100000746330 [0,2,0,0,0,0|2,0,0]=4 13169 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|2,0,0]=4 13170 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|2,0,0]=4 13171 B11R0.42 C[C@H](OCCCCCF)C(=O)[O-] 7a_217856618621_100000729378 [0,2,0,0,0,0|2,0,0]=4 13172 B11R0.42 C[C@H](OCCCCCO)C(=O)[O-] 7a_217856618621_100000746330 [0,2,0,0,0,0|2,0,0]=4 13173 B11R0.42 NC(=O)C(F)NCCCCCO 2230a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 13174 B11R0.42 NC(=O)C(F)NCCCCCO 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 13175 B11R0.42 NC(=O)C(F)OCCCCCBr 34a_100000746331_100009813875 [0,2,0,0,0,0|2,0,0]=4 13176 B11R0.42 NC(=O)C(F)OCCCCCBr 7a_100000746331_100009813875 [0,2,0,0,0,0|2,0,0]=4 13177 B11R0.42 NC(=O)C(F)OCCCCCCl 34a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 13178 B11R0.42 NC(=O)C(F)OCCCCCCl 7a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.42 NC(=O)C(F)OCCCCCI 34a_200012148887_100009813875 [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.42 NC(=O)C(F)OCCCCCI 7a_200012148887_100009813875 [0,2,0,0,0,0|2,0,0]=4 13181 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100000729378_100009813875 [0,2,0,0,0,0|2,0,0]=4 13182 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100009813875_100000729378 [0,2,0,0,0,0|2,0,0]=4 13183 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 13184 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100009813875_100000746330 [0,2,0,0,0,0|2,0,0]=4 13185 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 13186 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|2,0,0]=4 13187 B11R0.42 NCCCCCOC(F)C(=O)N 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 13188 B11R0.42 NCCCCCOC(F)C(=O)[O-] 34a_100000762737_100020610796 [0,2,0,0,0,0|2,0,0]=4 13189 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,2,0,0,0,0|2,0,0]=4 13190 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,2,0,0,0,0|2,0,0]=4 13191 B11R0.42 O=C([O-])C(F)NCCCCCO 34a_100000762737_100020610796 [0,2,0,0,0,0|2,0,0]=4 13192 B11R0.42 O=C([O-])C(F)OCCCCCBr 34a_100000746331_100020610796 [0,2,0,0,0,0|2,0,0]=4 13193 B11R0.42 O=C([O-])C(F)OCCCCCCl 34a_100000746330_100020610796 [0,2,0,0,0,0|2,0,0]=4 13194 B11R0.42 O=C([O-])C(F)OCCCCCI 34a_200012148887_100020610796 [0,2,0,0,0,0|2,0,0]=4 13195 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100000729378_100020610796 [0,2,0,0,0,0|2,0,0]=4 13196 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100020610796_100000729378 [0,2,0,0,0,0|2,0,0]=4 13197 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100000746330_100020610796 [0,2,0,0,0,0|2,0,0]=4 13198 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100020610796_100000746330 [0,2,0,0,0,0|2,0,0]=4 13199 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,2,0,0,0,0|1,0,1]=4 13200 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,2,0,0,0,0|1,0,1]=4 13201 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,2,0,0,0,0|2,0,0]=4 13202 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,2,0,0,0,0|2,0,0]=4 13203 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,2,0,0,0,0|2,0,0]=4 13204 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,2,0,0,0,0|2,0,0]=4 13205 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,2,0,0,0,0|2,0,0]=4 13206 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,2,0,0,0,0|2,0,0]=4 13207 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,2,0,0,0,0|2,0,0]=4 13208 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,2,0,0,0,0|2,0,0]=4 13209 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,2,0,0,0,0|2,0,0]=4 13210 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [0,2,0,0,0,0|2,0,0]=4 13211 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [0,2,0,0,0,0|2,0,0]=4 13212 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [0,2,0,0,0,0|2,0,0]=4 13214 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [0,2,0,0,0,0|2,0,0]=4 13215 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [0,2,0,0,0,0|2,0,0]=4 13216 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [0,2,0,0,0,0|1,0,1]=4 13217 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [0,2,0,0,0,0|1,0,1]=4 13218 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [0,2,0,0,0,0|1,0,1]=4 13219 B11R0.46 C=CCCCN(C)CCC(C)C 2230a_100000742789_100011713584 [0,2,0,0,0,0|2,0,0]=4 13220 B11R0.46 C=CCCCN(C)CCC(C)C 269982a_100000742789_100000757094 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.46 C=CCCNC(C)CCC(C)C 2230a_100015191253_100011261404 [0,2,0,0,0,0|2,0,0]=4 13222 B11R0.46 C=CCCNC(C)CCC(C)C 2230a_100138410893_100000754431 [0,2,0,0,0,0|2,0,0]=4 13223 B11R0.46 C=CCCNC(C)CCC(C)C 270004a_100015191253_100000210476 [0,2,0,0,0,0|2,0,0]=4 13224 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011205117_100011261404 [0,2,0,0,0,0|2,0,0]=4 13225 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011215350_100000754431 [0,2,0,0,0,0|2,0,0]=4 13226 B11R0.46 C=CCCOC(C)CCC(C)C 7a_100011215350_100000754431 [0,2,0,0,0,0|2,0,0]=4 13227 B11R0.46 C=CCCSC(C)CCC(C)C 62a_100000754431_100011261404 [0,2,0,0,0,0|2,0,0]=4 13228 B11R0.46 C=CCCSC(C)CCC(C)C 62a_100011261404_100000754431 [0,2,0,0,0,0|2,0,0]=4 13229 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,2,0,0,0,0|2,0,0]=4 13230 B11R0.46 CC(C)CCN(C)CCCC=O 2230a_100000742789_200011292268 [0,2,0,0,0,0|1,0,0]=3 13231 B11R0.46 CC(C)CCN(C)CCCC=O 269982a_100000742789_200011292268 [0,2,0,0,0,0|1,0,0]=3 13232 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,2,0,0,0,0|0,0,1]=3 13233 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,2,0,0,0,0|1,0,1]=4 13234 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|1,0,1]=4 13235 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,2,0,0,0,0|1,0,1]=4 13236 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|1,0,1]=4 13237 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|1,0,1]=4 13238 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 13239 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 13240 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 13241 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|0,0,0]=2 13242 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|0,0,0]=2 13243 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,2,0,0,0,0|1,0,0]=3 13244 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,2,0,0,0,0|1,0,0]=3 13245 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,2,0,0,0,0|1,0,0]=3 13246 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|1,0,0]=3 13247 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,2,0,0,0,0|1,0,0]=3 13248 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,2,0,0,0,0|1,0,0]=3 13249 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,2,0,0,0,0|1,0,0]=3 13250 B11R0.46 CCCCCC(C)OC[N+](=O)[O-] 34a_100011215632_100000761209 [0,2,0,0,0,0|2,0,0]=4 13251 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,2,0,0,0,0|1,0,0]=3 13252 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,2,0,0,0,0|1,0,0]=3 13253 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,2,0,0,0,0|1,0,0]=3 13254 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,2,0,0,0,0|1,0,0]=3 13255 B11R0.46 CCCCCC(C)SC[N+](=O)[O-] 62a_200011218191_100000761209 [0,2,0,0,0,0|2,0,0]=4 13256 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,2,0,0,0,0|1,0,0]=3 13257 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,2,0,0,0,0|1,0,0]=3 13258 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,2,0,0,0,0|1,0,0]=3 13259 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,2,0,0,0,0|1,0,0]=3 13260 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,2,0,0,0,0|1,0,0]=3 13261 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,2,0,0,0,0|1,0,0]=3 13262 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,2,0,0,0,0|2,0,0]=4 13263 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,2,0,0,0,0|1,0,1]=4 13264 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,2,0,0,0,0|1,0,1]=4 13265 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,2,0,0,0,0|2,0,0]=4 13266 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,2,0,0,0,0|2,0,0]=4 13267 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,2,0,0,0,0|2,0,0]=4 13268 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,2,0,0,0,0|2,0,0]=4 13269 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,2,0,0,0,0|2,0,0]=4 13270 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,2,0,0,0,0|2,0,0]=4 13271 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,2,0,0,0,0|2,0,0]=4 13272 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,2,0,0,0,0|1,0,1]=4 13273 B11R0.46 CCOCCN(C)CCC(=O)N 2230a_100000730477_100011215890 [0,2,0,0,0,0|2,0,0]=4 13274 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,2,0,0,0,0|1,0,1]=4 13275 B11R0.46 CCSCCN(C)CCC(=O)N 2230a_100000730477_100000757381 [0,2,0,0,0,0|2,0,0]=4 13276 B11R0.46 CN(C)CCN(C)CCCC=O 269982a_100000225618_200011292268 [0,2,0,0,0,0|2,0,0]=4 13277 B11R0.46 CN(CCCCF)CCC(=O)N 2230a_100000730477_100000729493 [0,2,0,0,0,0|2,0,0]=4 13278 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000717598_100000744528 [0,2,0,0,0,0|2,0,0]=4 13279 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000730477_100000210776 [0,2,0,0,0,0|2,0,0]=4 13280 B11R0.46 CN(CCCCO)CCC(=O)N 269982a_100000717598_100000744528 [0,2,0,0,0,0|2,0,0]=4 13281 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,2,0,0,0,0|1,0,1]=4 13282 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [0,2,0,0,0,0|2,0,0]=4 13283 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [0,2,0,0,0,0|2,0,0]=4 13284 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [0,2,0,0,0,0|2,0,0]=4 13285 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [0,2,0,0,0,0|2,0,0]=4 13286 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000224831_100000744528 [0,2,0,0,0,0|2,0,0]=4 13287 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000730477_100000740836 [0,2,0,0,0,0|2,0,0]=4 13288 B11R0.46 COCCCN(C)CCC(=O)N 269982a_100000224831_100000744528 [0,2,0,0,0,0|2,0,0]=4 13289 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,2,0,0,0,0|1,0,1]=4 13290 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,2,0,0,0,0|1,0,1]=4 13291 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,2,0,0,0,0|0,0,2]=4 13292 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,2,0,0,0,0|2,0,0]=4 13293 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,2,0,0,0,0|2,0,0]=4 13294 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,2,0,0,0,0|2,0,0]=4 13295 B11R0.111 C=C(F)COCCCC(C)CC 7a_100011216074_100000042424 [0,2,0,0,0,0|2,0,0]=4 13296 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,2,0,0,0,0|1,0,1]=4 13297 B11R0.111 C=CC(C)COCCCC(C)C 34a_100011215527_100011214892 [0,2,0,0,0,0|2,0,0]=4 13298 B11R0.111 C=CC(C)COCCCC(C)C 7a_100011215527_100011214892 [0,2,0,0,0,0|2,0,0]=4 13299 B11R0.111 C=CC(C)COCCCC(C)O 34a_100011215527_200000718107 [0,2,0,0,0,0|2,0,0]=4 13300 B11R0.111 C=CC(C)COCCCC(C)O 7a_100011215527_200000718107 [0,2,0,0,0,0|2,0,0]=4 13301 B11R0.111 C=CC(C)OCCCCC(C)C 34a_100000695699_100011216152 [0,2,0,0,0,0|2,0,0]=4 13302 B11R0.111 C=CC(C)SCCCCC(C)C 62a_100011215867_100011216152 [0,2,0,0,0,0|2,0,0]=4 13303 B11R0.111 C=CC(O)CNCCCC(C)C 2230a_200000737386_100000730141 [0,2,0,0,0,0|2,0,0]=4 13304 B11R0.111 C=CC(O)CNCCCC(C)C 34a_200000737386_100000730141 [0,2,0,0,0,0|2,0,0]=4 13305 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,2,0,0,0,0|2,0,0]=4 13306 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,2,0,0,0,0|2,0,0]=4 13307 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100000730141_100011214892 [0,2,0,0,0,0|2,0,0]=4 13308 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100011214892_100000730141 [0,2,0,0,0,0|2,0,0]=4 13309 B11R0.111 C=CC(O)CSCCCC(C)O 62a_100000730141_200000718107 [0,2,0,0,0,0|2,0,0]=4 13310 B11R0.111 C=CC(O)CSCCCC(C)O 62a_200000718107_100000730141 [0,2,0,0,0,0|2,0,0]=4 13311 B11R0.111 C=C[C@H](N)COCCCC(C)C 34a_100016989147_100011214892 [0,2,0,0,0,0|2,0,0]=4 13312 B11R0.111 C=C[C@H](N)COCCCC(C)O 34a_100016989147_200000718107 [0,2,0,0,0,0|2,0,0]=4 13313 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [0,2,0,0,0,0|2,0,0]=4 13314 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [0,2,0,0,0,0|2,0,0]=4 13315 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [0,2,0,0,0,0|2,0,0]=4 13316 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,2,0,0,0,0|2,0,0]=4 13317 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,2,0,0,0,0|2,0,0]=4 13318 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,2,0,0,0,0|2,0,0]=4 13319 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,2,0,0,0,0|2,0,0]=4 13320 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,2,0,0,0,0|2,0,0]=4 13321 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,2,0,0,0,0|2,0,0]=4 13322 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [0,2,0,0,0,0|2,0,0]=4 13323 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|2,0,0]=4 13324 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|2,0,0]=4 13325 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|2,0,0]=4 13326 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|2,0,0]=4 13327 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,2,0,0,0,0|2,0,0]=4 13328 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,2,0,0,0,0|2,0,0]=4 13329 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|2,0,0]=4 13330 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|2,0,0]=4 13331 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,2,0,0,0,0|2,0,0]=4 13332 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,2,0,0,0,0|2,0,0]=4 13333 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,2,0,0,0,0|2,0,0]=4 13334 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,2,0,0,0,0|2,0,0]=4 13335 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,2,0,0,0,0|2,0,0]=4 13336 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,2,0,0,0,0|2,0,0]=4 13337 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,2,0,0,0,0|2,0,0]=4 13338 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,2,0,0,0,0|2,0,0]=4 13339 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,2,0,0,0,0|2,0,0]=4 13340 B11R0.111 CC(CN)COCCCC(=O)N 34a_100000744482_100102525003 [0,2,0,0,0,0|2,0,0]=4 13341 B11R0.111 CC(CO)CCNCCC(=O)N 2230a_106354213184_100000744528 [0,2,0,0,0,0|2,0,0]=4 13342 B11R0.111 CC(CO)CCNCCC(=O)N 34a_106354213184_100000731001 [0,2,0,0,0,0|2,0,0]=4 13343 B11R0.111 CC(CO)CNCCCC(=O)N 34a_100000744482_100102525003 [0,2,0,0,0,0|2,0,0]=4 13344 B11R0.111 CC(CO)NCCCCC(=O)N 34a_100000696515_100012180447 [0,2,0,0,0,0|2,0,0]=4 13345 B11R0.111 CC(CO)OCCCCC(=O)N 34a_100012022536_100012180447 [0,2,0,0,0,0|2,0,0]=4 13346 B11R0.111 CC(CO)OCCCCC(=O)N 7a_100012022536_100012180447 [0,2,0,0,0,0|2,0,0]=4 13347 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,2,0,0,0,0|0,0,1]=3 13348 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,2,0,0,0,0|1,0,1]=4 13349 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|1,0,1]=4 13350 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|1,0,1]=4 13351 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|1,0,1]=4 13352 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|1,0,1]=4 13353 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,2,0,0,0,0|1,0,1]=4 13354 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,2,0,0,0,0|1,0,1]=4 13355 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,2,0,0,0,0|1,0,1]=4 13356 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,2,0,0,0,0|1,0,1]=4 13357 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,2,0,0,0,0|1,0,1]=4 13358 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 13359 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 13360 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 13361 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 13362 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,2,0,0,0,0|1,0,0]=3 13363 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [0,2,0,0,0,0|1,0,0]=3 13364 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,2,0,0,0,0|1,0,0]=3 13365 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,2,0,0,0,0|1,0,0]=3 13366 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [0,2,0,0,0,0|1,0,0]=3 13367 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,2,0,0,0,0|2,0,0]=4 13368 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,2,0,0,0,0|2,0,0]=4 13369 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,2,0,0,0,0|2,0,0]=4 13370 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,2,0,0,0,0|2,0,0]=4 13371 B11R0.111 CCC(C)CNCCNC(=O)N 2230a_100020588543_200000034859 [0,2,0,0,0,0|2,0,0]=4 13372 B11R0.111 CCC(C)CNCCNC(=O)N 34a_100020590234_100000748023 [0,2,0,0,0,0|2,0,0]=4 13373 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,2,0,0,0,0|1,0,0]=3 13374 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,2,0,0,0,0|1,0,0]=3 13375 B11R0.111 CCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000748023 [0,2,0,0,0,0|2,0,0]=4 13376 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,2,0,0,0,0|2,0,0]=4 13377 B11R0.111 CCC(C)COCCNC(=O)N 34a_100000181757_100000748023 [0,2,0,0,0,0|2,0,0]=4 13378 B11R0.111 CCC(C)COCCOC(=O)N 7a_100000766696_100000748023 [0,2,0,0,0,0|2,0,0]=4 13379 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,2,0,0,0,0|1,0,0]=3 13380 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,2,0,0,0,0|1,0,0]=3 13381 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [0,2,0,0,0,0|1,0,0]=3 13382 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [0,2,0,0,0,0|1,0,0]=3 13383 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,2,0,0,0,0|2,0,0]=4 13384 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,2,0,0,0,0|2,0,0]=4 13385 B11R0.111 CCC(C)CSCCNC(=O)N 62a_100000748023_200000034859 [0,2,0,0,0,0|2,0,0]=4 13386 B11R0.111 CCC(C)CSCCNC(=O)N 62a_200000034859_100000748023 [0,2,0,0,0,0|2,0,0]=4 13387 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,2,0,0,0,0|2,0,0]=4 13388 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,2,0,0,0,0|2,0,0]=4 13389 B11R0.111 CCC(C)CSCCOC(=O)N 62a_100000748023_200011214921 [0,2,0,0,0,0|2,0,0]=4 13390 B11R0.111 CCC(C)CSCCOC(=O)N 62a_200011214921_100000748023 [0,2,0,0,0,0|2,0,0]=4 13391 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,2,0,0,0,0|1,0,0]=3 13392 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,2,0,0,0,0|2,0,0]=4 13393 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [0,2,0,0,0,0|2,0,0]=4 13394 B11R0.111 CCC(C)NCCOCC(=O)N 2230a_100000209981_100000076697 [0,2,0,0,0,0|2,0,0]=4 13395 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [0,2,0,0,0,0|2,0,0]=4 13396 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,2,0,0,0,0|1,0,0]=3 13397 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,2,0,0,0,0|1,0,0]=3 13398 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,2,0,0,0,0|1,0,0]=3 13399 B11R0.111 CCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215416 [0,2,0,0,0,0|2,0,0]=4 13400 B11R0.111 CCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000758301 [0,2,0,0,0,0|2,0,0]=4 13401 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,2,0,0,0,0|2,0,0]=4 13402 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,2,0,0,0,0|2,0,0]=4 13403 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [0,2,0,0,0,0|2,0,0]=4 13404 B11R0.111 CCC(C)OCCOCC(=O)N 7a_100000210228_100000076697 [0,2,0,0,0,0|2,0,0]=4 13405 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,2,0,0,0,0|1,0,0]=3 13406 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,2,0,0,0,0|1,0,0]=3 13407 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,2,0,0,0,0|2,0,0]=4 13408 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,2,0,0,0,0|2,0,0]=4 13409 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [0,2,0,0,0,0|2,0,0]=4 13410 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [0,2,0,0,0,0|2,0,0]=4 13411 B11R0.111 CCC(C)SCCOCC(=O)N 62a_100000076697_100000758301 [0,2,0,0,0,0|2,0,0]=4 13412 B11R0.111 CCC(C)SCCOCC(=O)N 62a_100000758301_100000076697 [0,2,0,0,0,0|2,0,0]=4 13413 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,2,0,0,0,0|1,0,0]=3 13414 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,2,0,0,0,0|2,0,0]=4 13415 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,2,0,0,0,0|2,0,0]=4 13416 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,2,0,0,0,0|2,0,0]=4 13417 B11R0.111 CCC(O)CNCCNC(=O)N 2230a_100011218483_200000034859 [0,2,0,0,0,0|2,0,0]=4 13418 B11R0.111 CCC(O)CNCCNC(=O)N 34a_100020590234_100011218378 [0,2,0,0,0,0|2,0,0]=4 13419 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|1,0,0]=3 13420 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|1,0,0]=3 13421 B11R0.111 CCC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218378 [0,2,0,0,0,0|2,0,0]=4 13422 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,2,0,0,0,0|2,0,0]=4 13423 B11R0.111 CCC(O)COCCNC(=O)N 34a_100000181757_100011218378 [0,2,0,0,0,0|2,0,0]=4 13424 B11R0.111 CCC(O)COCCOC(=O)N 7a_100000766696_100011218378 [0,2,0,0,0,0|2,0,0]=4 13425 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|1,0,0]=3 13426 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|1,0,0]=3 13427 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,2,0,0,0,0|1,0,0]=3 13428 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,2,0,0,0,0|1,0,0]=3 13429 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,2,0,0,0,0|2,0,0]=4 13430 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,2,0,0,0,0|2,0,0]=4 13431 B11R0.111 CCC(O)CSCCNC(=O)N 62a_100011218378_200000034859 [0,2,0,0,0,0|2,0,0]=4 13432 B11R0.111 CCC(O)CSCCNC(=O)N 62a_200000034859_100011218378 [0,2,0,0,0,0|2,0,0]=4 13433 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,2,0,0,0,0|2,0,0]=4 13434 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,2,0,0,0,0|2,0,0]=4 13435 B11R0.111 CCC(O)CSCCOC(=O)N 62a_100011218378_200011214921 [0,2,0,0,0,0|2,0,0]=4 13436 B11R0.111 CCC(O)CSCCOC(=O)N 62a_200011214921_100011218378 [0,2,0,0,0,0|2,0,0]=4 13437 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,2,0,0,0,0|1,0,0]=3 13438 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,2,0,0,0,0|1,0,0]=3 13439 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,2,0,0,0,0|2,0,0]=4 13440 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,2,0,0,0,0|2,0,0]=4 13441 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,2,0,0,0,0|2,0,0]=4 13442 B11R0.111 CCN(C)CCCNCC(=O)N 2230a_100000711301_100015186262 [0,2,0,0,0,0|2,0,0]=4 13443 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [0,2,0,0,0,0|2,0,0]=4 13444 B11R0.111 CCN(C)CCCSCC(=O)N 62a_100000747473_100015186262 [0,2,0,0,0,0|2,0,0]=4 13445 B11R0.111 CCN(C)CCCSCC(=O)[O-] 62a_100020667443_100015186262 [0,2,0,0,0,0|2,0,0]=4 13446 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [0,2,0,0,0,0|1,0,0]=3 13447 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,2,0,0,0,0|2,0,0]=4 13448 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,2,0,0,0,0|2,0,0]=4 13449 B11R0.111 CC[C@H](C)CNCCNC(=O)N 34a_100020590234_100009816398 [0,2,0,0,0,0|2,0,0]=4 13450 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,2,0,0,0,0|1,0,0]=3 13451 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,2,0,0,0,0|1,0,0]=3 13452 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,2,0,0,0,0|1,0,0]=3 13453 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,2,0,0,0,0|1,0,0]=3 13454 B11R0.111 CC[C@H](C)COCCC[N+](=O)[O-] 34a_200000037920_100009816398 [0,2,0,0,0,0|2,0,0]=4 13455 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,2,0,0,0,0|2,0,0]=4 13456 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,2,0,0,0,0|2,0,0]=4 13457 B11R0.111 CC[C@H](C)COCCNC(=O)N 34a_100000181757_100009816398 [0,2,0,0,0,0|2,0,0]=4 13458 B11R0.111 CC[C@H](C)COCCNC(=O)N 7a_100009816381_200000034859 [0,2,0,0,0,0|2,0,0]=4 13459 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,2,0,0,0,0|2,0,0]=4 13460 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100000766696_100009816398 [0,2,0,0,0,0|2,0,0]=4 13461 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100009816381_200011214921 [0,2,0,0,0,0|2,0,0]=4 13462 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,2,0,0,0,0|1,0,0]=3 13463 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,2,0,0,0,0|1,0,0]=3 13464 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [0,2,0,0,0,0|1,0,0]=3 13465 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [0,2,0,0,0,0|1,0,0]=3 13466 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,2,0,0,0,0|2,0,0]=4 13467 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,2,0,0,0,0|2,0,0]=4 13468 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_100009816398_200000034859 [0,2,0,0,0,0|2,0,0]=4 13469 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_200000034859_100009816398 [0,2,0,0,0,0|2,0,0]=4 13470 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,2,0,0,0,0|2,0,0]=4 13471 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,2,0,0,0,0|2,0,0]=4 13472 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_100009816398_200011214921 [0,2,0,0,0,0|2,0,0]=4 13473 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_200011214921_100009816398 [0,2,0,0,0,0|2,0,0]=4 13474 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,2,0,0,0,0|1,0,1]=4 13475 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,2,0,0,0,0|1,0,1]=4 13476 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,2,0,0,0,0|1,0,1]=4 13477 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,2,0,0,0,0|2,0,0]=4 13478 B11R0.111 COC(C)CCOCCC(=O)N 7a_100000764861_100000744528 [0,2,0,0,0,0|2,0,0]=4 13479 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,2,0,0,0,0|2,0,0]=4 13480 B11R0.111 COC(C)COCCCC(=O)N 34a_100000690652_100102525003 [0,2,0,0,0,0|2,0,0]=4 13481 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [0,2,0,0,0,0|2,0,0]=4 13482 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [0,2,0,0,0,0|2,0,0]=4 13483 B11R0.111 C[C@@H](CN)CCCOCC(=O)N 34a_100160569302_100000187820 [0,2,0,0,0,0|2,0,0]=4 13484 B11R0.111 C[C@@H](CN)CCCOCC(=O)[O-] 34a_100160569302_100020667443 [0,2,0,0,0,0|2,0,0]=4 13485 B11R0.111 C[C@@H](CO)CNCCCC(=O)N 34a_100000739312_100000059175 [0,2,0,0,0,0|2,0,0]=4 13486 B11R0.111 C[C@@H](CO)CSCCCC(=O)N 62a_100000059175_100102525003 [0,2,0,0,0,0|2,0,0]=4 13487 B11R0.111 C[C@@H](CO)CSCCCC(=O)N 62a_100102525003_100000059175 [0,2,0,0,0,0|2,0,0]=4 13488 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,2,0,0,0,0|1,0,1]=4 13489 B11R0.111 NC(=O)CCCNCC(O)CO 34a_100000739312_100011219619 [0,2,0,0,0,0|2,0,0]=4 13490 B11R0.111 NC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100102525003 [0,2,0,0,0,0|2,0,0]=4 13491 B11R0.111 NC(=O)CCCNC[C@@H](O)CF 34a_100000739312_100015614560 [0,2,0,0,0,0|2,0,0]=4 13492 B11R0.111 NC(=O)CCCNC[C@@H](O)CO 34a_100000739312_100009815848 [0,2,0,0,0,0|2,0,0]=4 13493 B11R0.111 NC(=O)CCCOCC(Cl)CCl 34a_100000033668_100102525003 [0,2,0,0,0,0|2,0,0]=4 13494 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100011219619_100102525003 [0,2,0,0,0,0|2,0,0]=4 13495 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100102525003_100011219619 [0,2,0,0,0,0|2,0,0]=4 13496 B11R0.111 NC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100102525003 [0,2,0,0,0,0|2,0,0]=4 13497 B11R0.111 NC(=O)CCCSC[C@@H](O)CF 62a_100102525003_100015614560 [0,2,0,0,0,0|2,0,0]=4 13498 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100102525003 [0,2,0,0,0,0|2,0,0]=4 13499 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100102525003_100009815848 [0,2,0,0,0,0|2,0,0]=4 13500 B11R0.111 NC[C@@H](F)COCCCC(=O)N 34a_100015665980_100102525003 [0,2,0,0,0,0|2,0,0]=4 13501 B11R0.147 C=C(Br)CCOC(C)CCCC 34a_100009813270_200011215066 [0,2,0,0,0,0|2,0,0]=4 13502 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [0,2,0,0,0,0|2,0,0]=4 13503 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [0,2,0,0,0,0|2,0,0]=4 13504 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [0,2,0,0,0,0|2,0,0]=4 13505 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [0,2,0,0,0,0|2,0,0]=4 13506 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [0,2,0,0,0,0|2,0,0]=4 13507 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [0,2,0,0,0,0|2,0,0]=4 13508 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [0,2,0,0,0,0|2,0,0]=4 13509 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [0,2,0,0,0,0|2,0,0]=4 13510 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [0,2,0,0,0,0|2,0,0]=4 13511 B11R0.147 C=C(F)COCC(C)CCCC 34a_100011995851_100009893438 [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.147 C=C(F)COCC(C)CCCC 7a_100011995851_100000042424 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.147 C=C(F)COC[C@@H](N)CCCC 34a_100011934283_100009893438 [0,2,0,0,0,0|2,0,0]=4 13514 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,2,0,0,0,0|1,0,1]=4 13515 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,2,0,0,0,0|1,0,1]=4 13516 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,2,0,0,0,0|1,0,1]=4 13517 B11R0.147 C=CCCC(C)NCCC(C)C 270004a_100000210545_100000762624 [0,2,0,0,0,0|2,0,0]=4 13518 B11R0.147 C=CCCC(C)NCCC(C)O 270004a_200000755665_100000762624 [0,2,0,0,0,0|2,0,0]=4 13519 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [0,2,0,0,0,0|2,0,0]=4 13520 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [0,2,0,0,0,0|2,0,0]=4 13521 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [0,2,0,0,0,0|2,0,0]=4 13522 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [0,2,0,0,0,0|2,0,0]=4 13523 B11R0.147 C=CCCN(C)CCCC(C)C 2230a_100020639649_100011214892 [0,2,0,0,0,0|2,0,0]=4 13524 B11R0.147 C=CCCN(C)CCCC(C)C 269982a_100020639649_100011214892 [0,2,0,0,0,0|2,0,0]=4 13525 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [0,2,0,0,0,0|2,0,0]=4 13526 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [0,2,0,0,0,0|2,0,0]=4 13527 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [0,2,0,0,0,0|2,0,0]=4 13528 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [0,2,0,0,0,0|2,0,0]=4 13529 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [0,2,0,0,0,0|2,0,0]=4 13530 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [0,2,0,0,0,0|2,0,0]=4 13531 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,2,0,0,0,0|2,0,0]=4 13532 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,2,0,0,0,0|2,0,0]=4 13533 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,2,0,0,0,0|2,0,0]=4 13534 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,2,0,0,0,0|2,0,0]=4 13535 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,2,0,0,0,0|2,0,0]=4 13536 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,2,0,0,0,0|2,0,0]=4 13537 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,2,0,0,0,0|2,0,0]=4 13538 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,2,0,0,0,0|1,0,0]=3 13539 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,2,0,0,0,0|1,0,0]=3 13540 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,2,0,0,0,0|1,0,0]=3 13541 B11R0.147 CC(CCCC(=O)[O-])OCCF 7a_100000761597_100011217306 [0,2,0,0,0,0|2,0,0]=4 13542 B11R0.147 CC(CCCC(=O)[O-])OCCO 7a_100000761597_100000211926 [0,2,0,0,0,0|2,0,0]=4 13543 B11R0.147 CC(CCCCl)OCCC(=O)N 34a_200000718107_100000731001 [0,2,0,0,0,0|2,0,0]=4 13544 B11R0.147 CC(CCCCl)OCCC(=O)N 7a_200000718107_100000744528 [0,2,0,0,0,0|2,0,0]=4 13545 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|0,0,1]=3 13546 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,2,0,0,0,0|0,0,1]=3 13547 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [0,2,0,0,0,0|1,0,1]=4 13548 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,2,0,0,0,0|1,0,1]=4 13549 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,2,0,0,0,0|1,0,1]=4 13550 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,2,0,0,0,0|1,0,1]=4 13551 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,2,0,0,0,0|1,0,1]=4 13552 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,2,0,0,0,0|1,0,1]=4 13553 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,2,0,0,0,0|1,0,1]=4 13554 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,2,0,0,0,0|1,0,1]=4 13555 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [0,2,0,0,0,0|1,0,1]=4 13556 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [0,2,0,0,0,0|1,0,1]=4 13557 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [0,2,0,0,0,0|1,0,1]=4 13558 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [0,2,0,0,0,0|1,0,1]=4 13559 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,2,0,0,0,0|1,0,0]=3 13560 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,2,0,0,0,0|1,0,0]=3 13561 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,2,0,0,0,0|1,0,0]=3 13562 B11R0.147 CCCCC(C)COC[N+](=O)[O-] 34a_100011995851_100000761209 [0,2,0,0,0,0|2,0,0]=4 13563 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [0,2,0,0,0,0|1,0,0]=3 13564 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [0,2,0,0,0,0|2,0,0]=4 13565 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,2,0,0,0,0|1,0,0]=3 13566 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,2,0,0,0,0|1,0,0]=3 13567 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,2,0,0,0,0|1,0,0]=3 13568 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,2,0,0,0,0|1,0,0]=3 13569 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,2,0,0,0,0|1,0,0]=3 13570 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,2,0,0,0,0|1,0,0]=3 13571 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,2,0,0,0,0|1,0,0]=3 13572 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,2,0,0,0,0|2,0,0]=4 13573 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,2,0,0,0,0|1,0,0]=3 13574 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,2,0,0,0,0|1,0,0]=3 13575 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [0,2,0,0,0,0|1,0,0]=3 13576 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [0,2,0,0,0,0|1,0,0]=3 13577 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,2,0,0,0,0|2,0,0]=4 13578 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,2,0,0,0,0|2,0,0]=4 13579 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,2,0,0,0,0|1,0,0]=3 13580 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,2,0,0,0,0|1,0,0]=3 13581 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,2,0,0,0,0|1,0,0]=3 13582 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,2,0,0,0,0|2,0,0]=4 13583 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,2,0,0,0,0|2,0,0]=4 13584 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,2,0,0,0,0|2,0,0]=4 13585 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,2,0,0,0,0|2,0,0]=4 13586 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,2,0,0,0,0|2,0,0]=4 13587 B11R0.147 CCCCN(C)CCNC(=O)N 2230a_100000207549_200000034859 [0,2,0,0,0,0|2,0,0]=4 13588 B11R0.147 CCCCN(C)CCNC(=O)N 269982a_100000207549_200000034859 [0,2,0,0,0,0|2,0,0]=4 13589 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,2,0,0,0,0|2,0,0]=4 13590 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [0,2,0,0,0,0|2,0,0]=4 13591 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,2,0,0,0,0|1,0,0]=3 13592 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,2,0,0,0,0|1,0,0]=3 13593 B11R0.147 CCCC[C@H](N)COC[N+](=O)[O-] 34a_100011934283_100000761209 [0,2,0,0,0,0|2,0,0]=4 13594 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|1,0,1]=4 13595 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|1,0,1]=4 13596 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|1,0,1]=4 13597 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,2,0,0,0,0|1,0,0]=3 13598 B11R0.147 CCCOC(C)CNCC(=O)N 2230a_100015185124_100000747473 [0,2,0,0,0,0|2,0,0]=4 13599 B11R0.147 CCCOC(C)CNCC(=O)N 34a_100015185124_100000187820 [0,2,0,0,0,0|2,0,0]=4 13600 B11R0.147 CCCOC(C)CNCC(=O)[O-] 34a_100015185124_100020667443 [0,2,0,0,0,0|2,0,0]=4 13601 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|1,0,1]=4 13602 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,2,0,0,0,0|1,0,1]=4 13603 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,2,0,0,0,0|2,0,0]=4 13604 B11R0.147 CCOCC(C)OCCC(=O)N 34a_100000718985_100000731001 [0,2,0,0,0,0|2,0,0]=4 13605 B11R0.147 CCOCC(C)OCCC(=O)N 7a_100000718985_100000744528 [0,2,0,0,0,0|2,0,0]=4 13606 B11R0.147 CCOCC(O)CNCC(=O)N 2230a_102515437182_100000747473 [0,2,0,0,0,0|2,0,0]=4 13607 B11R0.147 CCOCC(O)CNCC(=O)N 34a_102515437182_100000187820 [0,2,0,0,0,0|2,0,0]=4 13608 B11R0.147 CCOCC(O)CNCC(=O)[O-] 34a_102515437182_100020667443 [0,2,0,0,0,0|2,0,0]=4 13609 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [0,2,0,0,0,0|2,0,0]=4 13610 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|1,0,1]=4 13611 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,2,0,0,0,0|1,0,1]=4 13612 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [0,2,0,0,0,0|2,0,0]=4 13613 B11R0.147 CN(CCCO)CCCC(=O)N 269982a_100000213112_100102525003 [0,2,0,0,0,0|2,0,0]=4 13614 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [0,2,0,0,0,0|2,0,0]=4 13615 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,2,0,0,0,0|2,0,0]=4 13616 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,2,0,0,0,0|2,0,0]=4 13617 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,2,0,0,0,0|2,0,0]=4 13618 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,2,0,0,0,0|2,0,0]=4 13619 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 13620 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,2,0,0,0,0|1,0,1]=4 13621 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,2,0,0,0,0|2,0,0]=4 13622 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,2,0,0,0,0|2,0,0]=4 13623 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,2,0,0,0,0|2,0,0]=4 13624 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,2,0,0,0,0|2,0,0]=4 13625 B11R0.147 COCCN(C)CCCC(=O)N 269982a_100000743101_100102525003 [0,2,0,0,0,0|2,0,0]=4 13626 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [0,2,0,0,0,0|2,0,0]=4 13627 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 13628 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,2,0,0,0,0|1,0,1]=4 13629 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,2,0,0,0,0|2,0,0]=4 13630 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,2,0,0,0,0|2,0,0]=4 13631 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,2,0,0,0,0|2,0,0]=4 13632 B11R0.147 CSCCN(C)CCCC(=O)N 269982a_100000686725_100102525003 [0,2,0,0,0,0|2,0,0]=4 13633 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [0,2,0,0,0,0|2,0,0]=4 13634 B11R0.147 CSCC[C@H](N)COCC(=O)N 34a_100011827619_100000187820 [0,2,0,0,0,0|2,0,0]=4 13635 B11R0.147 CSCC[C@H](N)COCC(=O)[O-] 34a_100011827619_100020667443 [0,2,0,0,0,0|2,0,0]=4 13636 B11R0.147 C[C@H](CCCO)CNCC(=O)N 2230a_100160569302_100000747473 [0,2,0,0,0,0|2,0,0]=4 13637 B11R0.147 C[C@H](CCCO)CNCC(=O)N 34a_100160569302_100000187820 [0,2,0,0,0,0|2,0,0]=4 13638 B11R0.147 C[C@H](CCCO)CNCC(=O)[O-] 34a_100160569302_100020667443 [0,2,0,0,0,0|2,0,0]=4 13639 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,2,0,0,0,0|0,0,1]=3 13640 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,2,0,0,0,0|0,0,1]=3 13641 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,2,0,0,0,0|0,0,1]=3 13642 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,2,0,0,0,0|1,0,1]=4 13643 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,2,0,0,0,0|1,0,1]=4 13644 B11R0.148 C#CCCCCCCNC(C)C 2230a_100138425928_100012276617 [0,2,0,0,0,0|1,0,1]=4 13645 B11R0.148 C#CCCCCCCNC(C)C 34a_100138425928_100012276617 [0,2,0,0,0,0|1,0,1]=4 13646 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,2,0,0,0,0|1,0,1]=4 13647 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,2,0,0,0,0|1,0,1]=4 13648 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,2,0,0,0,0|1,0,1]=4 13649 B11R0.148 C#CCCCCCCSC(C)C 62a_100000210206_100012276617 [0,2,0,0,0,0|1,0,1]=4 13650 B11R0.148 C#CCCCCCCSC(C)C 62a_100012276617_100000210206 [0,2,0,0,0,0|1,0,1]=4 13651 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,2,0,0,0,0|0,0,2]=4 13652 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,2,0,0,0,0|0,0,2]=4 13653 B11R0.148 C#CCCCCCNCC(C)C 2230a_100000210953_100012094781 [0,2,0,0,0,0|1,0,1]=4 13654 B11R0.148 C#CCCCCCNCC(C)C 34a_100000210953_100012094781 [0,2,0,0,0,0|1,0,1]=4 13655 B11R0.148 C#CCCCCCNCC(C)O 2230a_100000210904_100012094781 [0,2,0,0,0,0|1,0,1]=4 13656 B11R0.148 C#CCCCCCNCC(C)O 34a_100000210904_100012094781 [0,2,0,0,0,0|1,0,1]=4 13657 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,2,0,0,0,0|0,0,2]=4 13658 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,2,0,0,0,0|0,0,2]=4 13659 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,2,0,0,0,0|0,0,2]=4 13660 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,2,0,0,0,0|0,0,2]=4 13661 B11R0.148 C#CCCCCCOCC(C)Br 34a_100012180447_100012094781 [0,2,0,0,0,0|1,0,1]=4 13662 B11R0.148 C#CCCCCCOCC(C)C 34a_100000210257_100012094781 [0,2,0,0,0,0|1,0,1]=4 13663 B11R0.148 C#CCCCCCOCC(C)C 34a_100000766912_100000210624 [0,2,0,0,0,0|1,0,1]=4 13664 B11R0.148 C#CCCCCCOCC(C)C 7a_100000766912_100000210760 [0,2,0,0,0,0|1,0,1]=4 13665 B11R0.148 C#CCCCCCOCC(C)F 34a_100015925927_100012094781 [0,2,0,0,0,0|1,0,1]=4 13666 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [0,2,0,0,0,0|1,0,1]=4 13667 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [0,2,0,0,0,0|1,0,1]=4 13668 B11R0.148 C#CCCCCCOC[C@@H](C)Cl 34a_100016084084_100012094781 [0,2,0,0,0,0|1,0,1]=4 13669 B11R0.148 C#CCCCCCOC[C@@H](C)N 34a_100000737577_100012094781 [0,2,0,0,0,0|1,0,1]=4 13670 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [0,2,0,0,0,0|1,0,1]=4 13671 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [0,2,0,0,0,0|1,0,1]=4 13672 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,2,0,0,0,0|0,0,2]=4 13673 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,2,0,0,0,0|0,0,2]=4 13674 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,2,0,0,0,0|0,0,2]=4 13675 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,2,0,0,0,0|0,0,2]=4 13676 B11R0.148 C#CCCCCCSCC(C)C 62a_100000210624_100012094781 [0,2,0,0,0,0|1,0,1]=4 13677 B11R0.148 C#CCCCCCSCC(C)C 62a_100012094781_100000210760 [0,2,0,0,0,0|1,0,1]=4 13678 B11R0.148 C#CCCCCCSCC(C)O 62a_100011218427_100012094781 [0,2,0,0,0,0|1,0,1]=4 13679 B11R0.148 C#CCCCCCSCC(C)O 62a_100012094781_100011218427 [0,2,0,0,0,0|1,0,1]=4 13680 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100009817552_100012094781 [0,2,0,0,0,0|1,0,1]=4 13681 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100012094781_100009817552 [0,2,0,0,0,0|1,0,1]=4 13682 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,2,0,0,0,0|0,0,2]=4 13683 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,2,0,0,0,0|0,0,2]=4 13684 B11R0.148 C#CCCCCNCCC(C)C 2230a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 13685 B11R0.148 C#CCCCCNCCC(C)C 34a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 13686 B11R0.148 C#CCCCCNCCC(C)O 2230a_100000706060_100012276601 [0,2,0,0,0,0|1,0,1]=4 13687 B11R0.148 C#CCCCCNCCC(C)O 2230a_200000755665_100010269958 [0,2,0,0,0,0|1,0,1]=4 13688 B11R0.148 C#CCCCCNCCC(C)O 34a_100000706060_100012276601 [0,2,0,0,0,0|1,0,1]=4 13689 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,2,0,0,0,0|0,0,2]=4 13690 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,2,0,0,0,0|0,0,2]=4 13691 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,2,0,0,0,0|0,0,2]=4 13692 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,2,0,0,0,0|0,0,2]=4 13693 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,2,0,0,0,0|0,0,2]=4 13694 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,2,0,0,0,0|0,0,2]=4 13695 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,2,0,0,0,0|0,0,2]=4 13696 B11R0.148 C#CCCCCOCCC(C)Br 34a_100009893172_100010269958 [0,2,0,0,0,0|1,0,1]=4 13697 B11R0.148 C#CCCCCOCCC(C)C 34a_100000210254_100010269958 [0,2,0,0,0,0|1,0,1]=4 13698 B11R0.148 C#CCCCCOCCC(C)C 34a_100000766709_100000210312 [0,2,0,0,0,0|1,0,1]=4 13699 B11R0.148 C#CCCCCOCCC(C)C 7a_100000210254_100010269958 [0,2,0,0,0,0|1,0,1]=4 13700 B11R0.148 C#CCCCCOCCC(C)C 7a_100000766709_100000210626 [0,2,0,0,0,0|1,0,1]=4 13701 B11R0.148 C#CCCCCOCCC(C)O 34a_100000766709_100012276601 [0,2,0,0,0,0|1,0,1]=4 13702 B11R0.148 C#CCCCCOCCC(C)O 7a_100000766709_100012276601 [0,2,0,0,0,0|1,0,1]=4 13703 B11R0.148 C#CCCCCOCC[C@@H](C)N 34a_100000706166_100010269958 [0,2,0,0,0,0|1,0,1]=4 13704 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,2,0,0,0,0|0,0,2]=4 13705 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,2,0,0,0,0|0,0,2]=4 13706 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,2,0,0,0,0|0,0,2]=4 13707 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,2,0,0,0,0|0,0,2]=4 13708 B11R0.148 C#CCCCCSCCC(C)C 62a_100000210312_100010269958 [0,2,0,0,0,0|1,0,1]=4 13709 B11R0.148 C#CCCCCSCCC(C)C 62a_100010269958_100000210312 [0,2,0,0,0,0|1,0,1]=4 13710 B11R0.148 C#CCCCCSCCC(C)O 62a_100010269958_100012276601 [0,2,0,0,0,0|1,0,1]=4 13711 B11R0.148 C#CCCCCSCCC(C)O 62a_100012276601_100010269958 [0,2,0,0,0,0|1,0,1]=4 13712 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,2,0,0,0,0|0,0,2]=4 13713 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,2,0,0,0,0|0,0,2]=4 13714 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,2,0,0,0,0|0,0,2]=4 13715 B11R0.148 C#CCCCNCCCC(C)C 2230a_200000737386_100000731252 [0,2,0,0,0,0|1,0,1]=4 13716 B11R0.148 C#CCCCNCCCC(C)C 34a_100000718082_100011214892 [0,2,0,0,0,0|1,0,1]=4 13717 B11R0.148 C#CCCCNCCCC(C)C 34a_200000737386_100000695029 [0,2,0,0,0,0|1,0,1]=4 13718 B11R0.148 C#CCCCNCCCC(C)O 34a_100000718082_200000718107 [0,2,0,0,0,0|1,0,1]=4 13719 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,2,0,0,0,0|0,0,2]=4 13720 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,2,0,0,0,0|0,0,2]=4 13721 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,2,0,0,0,0|0,0,2]=4 13722 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,2,0,0,0,0|0,0,2]=4 13723 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,2,0,0,0,0|0,0,2]=4 13724 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,2,0,0,0,0|0,0,2]=4 13725 B11R0.148 C#CCCCOCCCC(C)C 34a_100000210774_100000695029 [0,2,0,0,0,0|1,0,1]=4 13726 B11R0.148 C#CCCCOCCCC(C)C 34a_100000215630_100011214892 [0,2,0,0,0,0|1,0,1]=4 13727 B11R0.148 C#CCCCOCCCC(C)C 7a_100000210774_100011215417 [0,2,0,0,0,0|1,0,1]=4 13728 B11R0.148 C#CCCCOCCCC(C)C 7a_100000215630_100011214892 [0,2,0,0,0,0|1,0,1]=4 13729 B11R0.148 C#CCCCOCCCC(C)O 34a_100000215630_200000718107 [0,2,0,0,0,0|1,0,1]=4 13730 B11R0.148 C#CCCCOCCCC(C)O 7a_100000215630_200000718107 [0,2,0,0,0,0|1,0,1]=4 13731 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,2,0,0,0,0|0,0,2]=4 13732 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,2,0,0,0,0|0,0,2]=4 13733 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,2,0,0,0,0|0,0,2]=4 13734 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,2,0,0,0,0|0,0,2]=4 13735 B11R0.148 C#CCCCSCCCC(C)C 62a_100011214892_100011215417 [0,2,0,0,0,0|1,0,1]=4 13736 B11R0.148 C#CCCCSCCCC(C)C 62a_100011215417_100011214892 [0,2,0,0,0,0|1,0,1]=4 13737 B11R0.148 C#CCCCSCCCC(C)O 62a_100011215417_200000718107 [0,2,0,0,0,0|1,0,1]=4 13738 B11R0.148 C#CCCCSCCCC(C)O 62a_200000718107_100011215417 [0,2,0,0,0,0|1,0,1]=4 13739 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,2,0,0,0,0|0,0,2]=4 13740 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,2,0,0,0,0|0,0,2]=4 13741 B11R0.148 C#CCCNCCCCC(C)C 34a_100000755551_100011216152 [0,2,0,0,0,0|1,0,1]=4 13742 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,2,0,0,0,0|0,0,2]=4 13743 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,2,0,0,0,0|0,0,2]=4 13744 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,2,0,0,0,0|0,0,2]=4 13745 B11R0.148 C#CCCOCCCCC(C)C 34a_100011214890_100000688953 [0,2,0,0,0,0|1,0,1]=4 13746 B11R0.148 C#CCCOCCCCC(C)C 34a_100011215631_100011216152 [0,2,0,0,0,0|1,0,1]=4 13747 B11R0.148 C#CCCOCCCCC(C)C 7a_100011214890_100000688953 [0,2,0,0,0,0|1,0,1]=4 13748 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,2,0,0,0,0|0,0,2]=4 13749 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,2,0,0,0,0|0,0,2]=4 13750 B11R0.148 C#CCCSCCCCC(C)C 62a_100000688953_100011216152 [0,2,0,0,0,0|1,0,1]=4 13751 B11R0.148 C#CCCSCCCCC(C)C 62a_100011216152_100000688953 [0,2,0,0,0,0|1,0,1]=4 13752 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,2,0,0,0,0|0,0,2]=4 13753 B11R0.148 C#CCNCCCCCC(C)C 2230a_100011290863_100000038162 [0,2,0,0,0,0|1,0,1]=4 13754 B11R0.148 C#CCNCCCCCC(C)C 34a_100000212058_100000210682 [0,2,0,0,0,0|1,0,1]=4 13755 B11R0.148 C#CCNCCCCCC(C)C 34a_100011290863_100000184674 [0,2,0,0,0,0|1,0,1]=4 13756 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,2,0,0,0,0|0,0,2]=4 13757 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,2,0,0,0,0|0,0,2]=4 13758 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,2,0,0,0,0|0,0,2]=4 13759 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,2,0,0,0,0|0,0,2]=4 13760 B11R0.148 C#CCOCCCCCC(C)C 34a_100000210247_100000210682 [0,2,0,0,0,0|1,0,1]=4 13761 B11R0.148 C#CCOCCCCCC(C)C 34a_100011995859_100000184674 [0,2,0,0,0,0|1,0,1]=4 13762 B11R0.148 C#CCOCCCCCC(C)C 7a_100011995859_100000038162 [0,2,0,0,0,0|1,0,1]=4 13763 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,2,0,0,0,0|0,0,2]=4 13764 B11R0.148 C#CCSCCCCCC(C)C 62a_100000038162_100000210682 [0,2,0,0,0,0|1,0,1]=4 13765 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,2,0,0,0,0|0,0,2]=4 13766 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,2,0,0,0,0|0,0,2]=4 13767 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [0,2,0,0,0,0|1,0,1]=4 13768 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|1,0,1]=4 13769 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,2,0,0,0,0|0,0,2]=4 13770 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,2,0,0,0,0|0,0,2]=4 13771 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,2,0,0,0,0|0,0,2]=4 13772 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,2,0,0,0,0|0,0,2]=4 13773 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [0,2,0,0,0,0|1,0,1]=4 13774 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [0,2,0,0,0,0|1,0,1]=4 13775 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [0,2,0,0,0,0|1,0,1]=4 13776 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,2,0,0,0,0|0,0,2]=4 13777 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,2,0,0,0,0|0,0,2]=4 13778 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100011216152_100102629194 [0,2,0,0,0,0|1,0,1]=4 13779 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100102629194_100011216152 [0,2,0,0,0,0|1,0,1]=4 13780 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,2,0,0,0,0|1,0,0]=3 13781 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,2,0,0,0,0|2,0,0]=4 13782 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,2,0,0,0,0|2,0,0]=4 13783 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,2,0,0,0,0|2,0,0]=4 13784 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,2,0,0,0,0|2,0,0]=4 13785 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,2,0,0,0,0|2,0,0]=4 13786 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,2,0,0,0,0|2,0,0]=4 13787 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,2,0,0,0,0|1,0,0]=3 13788 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,2,0,0,0,0|2,0,0]=4 13789 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,2,0,0,0,0|2,0,0]=4 13790 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,2,0,0,0,0|2,0,0]=4 13791 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,2,0,0,0,0|2,0,0]=4 13792 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,2,0,0,0,0|2,0,0]=4 13793 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,2,0,0,0,0|2,0,0]=4 13794 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,2,0,0,0,0|2,0,0]=4 13795 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,2,0,0,0,0|2,0,0]=4 13796 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,2,0,0,0,0|2,0,0]=4 13797 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,2,0,0,0,0|1,0,0]=3 13798 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,2,0,0,0,0|1,0,0]=3 13799 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,2,0,0,0,0|1,0,0]=3 13800 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,2,0,0,0,0|2,0,0]=4 13801 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,2,0,0,0,0|2,0,0]=4 13802 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,2,0,0,0,0|2,0,0]=4 13803 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,2,0,0,0,0|2,0,0]=4 13804 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,2,0,0,0,0|2,0,0]=4 13805 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,2,0,0,0,0|2,0,0]=4 13806 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|2,0,0]=4 13807 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,2,0,0,0,0|2,0,0]=4 13808 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,2,0,0,0,0|2,0,0]=4 13809 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,2,0,0,0,0|2,0,0]=4 13810 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,2,0,0,0,0|2,0,0]=4 13811 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,2,0,0,0,0|2,0,0]=4 13812 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,2,0,0,0,0|2,0,0]=4 13813 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,2,0,0,0,0|2,0,0]=4 13814 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,2,0,0,0,0|2,0,0]=4 13815 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,2,0,0,0,0|2,0,0]=4 13816 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,2,0,0,0,0|2,0,0]=4 13817 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,2,0,0,0,0|2,0,0]=4 13818 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,2,0,0,0,0|2,0,0]=4 13819 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,2,0,0,0,0|2,0,0]=4 13820 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,2,0,0,0,0|2,0,0]=4 13821 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,2,0,0,0,0|2,0,0]=4 13822 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,2,0,0,0,0|0,0,1]=3 13823 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,2,0,0,0,0|0,0,1]=3 13824 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,2,0,0,0,0|1,0,0]=3 13825 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,2,0,0,0,0|1,0,0]=3 13826 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,2,0,0,0,0|2,0,0]=4 13827 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,2,0,0,0,0|2,0,0]=4 13828 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,2,0,0,0,0|2,0,0]=4 13829 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,2,0,0,0,0|2,0,0]=4 13830 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,2,0,0,0,0|2,0,0]=4 13831 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,2,0,0,0,0|2,0,0]=4 13832 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,2,0,0,0,0|2,0,0]=4 13833 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,2,0,0,0,0|2,0,0]=4 13834 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,2,0,0,0,0|2,0,0]=4 13835 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,2,0,0,0,0|2,0,0]=4 13836 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,2,0,0,0,0|2,0,0]=4 13837 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,2,0,0,0,0|2,0,0]=4 13838 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,2,0,0,0,0|1,0,0]=3 13839 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 13840 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 13841 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,2,0,0,0,0|2,0,0]=4 13842 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,2,0,0,0,0|2,0,0]=4 13843 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,2,0,0,0,0|2,0,0]=4 13844 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,2,0,0,0,0|2,0,0]=4 13845 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,2,0,0,0,0|2,0,0]=4 13846 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,2,0,0,0,0|2,0,0]=4 13847 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,2,0,0,0,0|2,0,0]=4 13848 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,2,0,0,0,0|1,0,0]=3 13849 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,2,0,0,0,0|1,0,0]=3 13850 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,2,0,0,0,0|1,0,0]=3 13851 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,2,0,0,0,0|2,0,0]=4 13852 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,2,0,0,0,0|2,0,0]=4 13853 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,2,0,0,0,0|2,0,0]=4 13854 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,2,0,0,0,0|2,0,0]=4 13855 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,2,0,0,0,0|2,0,0]=4 13856 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 13857 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,2,0,0,0,0|2,0,0]=4 13858 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,2,0,0,0,0|2,0,0]=4 13859 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,2,0,0,0,0|2,0,0]=4 13860 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,2,0,0,0,0|2,0,0]=4 13861 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,2,0,0,0,0|2,0,0]=4 13862 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,2,0,0,0,0|2,0,0]=4 13863 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,2,0,0,0,0|2,0,0]=4 13864 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,2,0,0,0,0|0,0,1]=3 13865 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,2,0,0,0,0|0,0,1]=3 13866 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,2,0,0,0,0|1,0,0]=3 13867 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,2,0,0,0,0|1,0,0]=3 13868 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,2,0,0,0,0|2,0,0]=4 13869 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,2,0,0,0,0|2,0,0]=4 13870 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,2,0,0,0,0|2,0,0]=4 13871 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,2,0,0,0,0|2,0,0]=4 13872 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,2,0,0,0,0|2,0,0]=4 13873 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,2,0,0,0,0|2,0,0]=4 13874 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,2,0,0,0,0|1,0,0]=3 13875 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 13876 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 13877 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,2,0,0,0,0|2,0,0]=4 13878 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,2,0,0,0,0|2,0,0]=4 13879 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,2,0,0,0,0|2,0,0]=4 13880 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,2,0,0,0,0|2,0,0]=4 13881 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,2,0,0,0,0|2,0,0]=4 13882 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,2,0,0,0,0|2,0,0]=4 13883 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,2,0,0,0,0|2,0,0]=4 13884 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,2,0,0,0,0|1,0,0]=3 13885 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,2,0,0,0,0|1,0,0]=3 13886 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,2,0,0,0,0|1,0,0]=3 13887 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,2,0,0,0,0|2,0,0]=4 13888 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,2,0,0,0,0|2,0,0]=4 13889 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,2,0,0,0,0|2,0,0]=4 13890 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,2,0,0,0,0|2,0,0]=4 13891 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,2,0,0,0,0|2,0,0]=4 13892 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,2,0,0,0,0|2,0,0]=4 13894 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,2,0,0,0,0|2,0,0]=4 13895 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,2,0,0,0,0|2,0,0]=4 13896 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,2,0,0,0,0|2,0,0]=4 13897 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,2,0,0,0,0|2,0,0]=4 13898 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,2,0,0,0,0|2,0,0]=4 13899 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,2,0,0,0,0|2,0,0]=4 13900 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000042424_100000139337 [0,2,0,0,0,0|0,0,2]=4 13901 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000139337_100000042424 [0,2,0,0,0,0|0,0,2]=4 13902 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,2,0,0,0,0|1,0,0]=3 13903 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,2,0,0,0,0|1,0,0]=3 13904 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [0,2,0,0,0,0|2,0,0]=4 13905 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [0,2,0,0,0,0|2,0,0]=4 13906 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,2,0,0,0,0|2,0,0]=4 13907 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,2,0,0,0,0|2,0,0]=4 13908 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,2,0,0,0,0|2,0,0]=4 13909 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,2,0,0,0,0|2,0,0]=4 13910 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,2,0,0,0,0|0,0,1]=3 13911 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,2,0,0,0,0|0,0,1]=3 13912 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,2,0,0,0,0|0,0,1]=3 13913 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,2,0,0,0,0|1,0,0]=3 13914 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,2,0,0,0,0|1,0,0]=3 13915 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,2,0,0,0,0|1,0,0]=3 13916 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,2,0,0,0,0|1,0,0]=3 13917 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,2,0,0,0,0|1,0,0]=3 13918 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,2,0,0,0,0|1,0,0]=3 13919 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,2,0,0,0,0|1,0,0]=3 13920 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,2,0,0,0,0|1,0,0]=3 13921 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,2,0,0,0,0|1,0,0]=3 13922 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,2,0,0,0,0|0,0,2]=4 13923 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,2,0,0,0,0|0,0,2]=4 13924 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,2,0,0,0,0|1,0,0]=3 13925 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,2,0,0,0,0|1,0,0]=3 13926 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,2,0,0,0,0|1,0,0]=3 13927 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,2,0,0,0,0|1,0,0]=3 13928 B11R0.148 C=CCCCCCNCC(F)F 34a_100000765723_100000700193 [0,2,0,0,0,0|2,0,0]=4 13929 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [0,2,0,0,0,0|1,0,1]=4 13930 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [0,2,0,0,0,0|1,0,1]=4 13931 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [0,2,0,0,0,0|1,0,1]=4 13932 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,2,0,0,0,0|0,0,2]=4 13933 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,2,0,0,0,0|0,0,2]=4 13934 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,2,0,0,0,0|0,0,2]=4 13935 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,2,0,0,0,0|0,0,2]=4 13936 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,2,0,0,0,0|1,0,0]=3 13937 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,2,0,0,0,0|1,0,0]=3 13938 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,2,0,0,0,0|1,0,0]=3 13939 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,2,0,0,0,0|1,0,0]=3 13940 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,2,0,0,0,0|1,0,0]=3 13941 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,2,0,0,0,0|1,0,0]=3 13942 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,2,0,0,0,0|1,0,0]=3 13943 B11R0.148 C=CCCCCCOCC(F)F 34a_100000743014_100000700193 [0,2,0,0,0,0|2,0,0]=4 13944 B11R0.148 C=CCCCCCOCC(F)F 34a_100011216702_100011934356 [0,2,0,0,0,0|2,0,0]=4 13945 B11R0.148 C=CCCCCCOCC(F)F 7a_100011216702_100011934356 [0,2,0,0,0,0|2,0,0]=4 13946 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,2,0,0,0,0|1,0,0]=3 13947 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,2,0,0,0,0|1,0,0]=3 13948 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,2,0,0,0,0|1,0,0]=3 13949 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,2,0,0,0,0|1,0,0]=3 13950 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [0,2,0,0,0,0|1,0,1]=4 13951 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [0,2,0,0,0,0|1,0,1]=4 13952 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,2,0,0,0,0|0,0,2]=4 13953 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,2,0,0,0,0|0,0,2]=4 13954 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,2,0,0,0,0|0,0,2]=4 13955 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,2,0,0,0,0|0,0,2]=4 13956 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,2,0,0,0,0|1,0,0]=3 13957 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,2,0,0,0,0|1,0,0]=3 13958 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,2,0,0,0,0|1,0,0]=3 13959 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,2,0,0,0,0|1,0,0]=3 13960 B11R0.148 C=CCCCCCSCC(F)F 62a_100000700193_100011934356 [0,2,0,0,0,0|2,0,0]=4 13961 B11R0.148 C=CCCCCCSCC(F)F 62a_100011934356_100000700193 [0,2,0,0,0,0|2,0,0]=4 13962 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,2,0,0,0,0|1,0,0]=3 13963 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,2,0,0,0,0|1,0,0]=3 13964 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [0,2,0,0,0,0|1,0,1]=4 13965 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [0,2,0,0,0,0|1,0,1]=4 13966 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,2,0,0,0,0|0,0,2]=4 13967 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,2,0,0,0,0|0,0,2]=4 13968 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,2,0,0,0,0|1,0,0]=3 13969 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,2,0,0,0,0|1,0,0]=3 13970 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,2,0,0,0,0|1,0,0]=3 13971 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,2,0,0,0,0|1,0,0]=3 13972 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,2,0,0,0,0|1,0,0]=3 13973 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,2,0,0,0,0|1,0,0]=3 13974 B11R0.148 C=CCCCCNCOC(C)C 2230a_100000703577_100000709892 [0,2,0,0,0,0|2,0,0]=4 13975 B11R0.148 C=CCCCCNCOC(C)C 34a_100000703577_100000709892 [0,2,0,0,0,0|2,0,0]=4 13976 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [0,2,0,0,0,0|1,0,1]=4 13977 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [0,2,0,0,0,0|1,0,1]=4 13978 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [0,2,0,0,0,0|1,0,1]=4 13979 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,2,0,0,0,0|0,0,2]=4 13980 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,2,0,0,0,0|0,0,2]=4 13981 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,2,0,0,0,0|0,0,2]=4 13982 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,2,0,0,0,0|0,0,2]=4 13983 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,2,0,0,0,0|0,0,2]=4 13984 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,2,0,0,0,0|0,0,2]=4 13985 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,2,0,0,0,0|0,0,2]=4 13986 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,2,0,0,0,0|1,0,0]=3 13987 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,2,0,0,0,0|1,0,0]=3 13988 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,2,0,0,0,0|1,0,0]=3 13989 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,2,0,0,0,0|1,0,0]=3 13990 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,2,0,0,0,0|1,0,0]=3 13991 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,2,0,0,0,0|1,0,0]=3 13992 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,2,0,0,0,0|1,0,0]=3 13993 B11R0.148 C=CCCCCOCCC(F)F 34a_100103093639_100011215482 [0,2,0,0,0,0|2,0,0]=4 13994 B11R0.148 C=CCCCCOCCN(C)C 7a_100000766645_100000755713 [0,2,0,0,0,0|2,0,0]=4 13995 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,2,0,0,0,0|1,0,0]=3 13996 B11R0.148 C=CCCCCOCOC(C)C 34a_100000766645_100000709892 [0,2,0,0,0,0|2,0,0]=4 13997 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [0,2,0,0,0,0|1,0,1]=4 13998 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [0,2,0,0,0,0|1,0,1]=4 13999 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,2,0,0,0,0|0,0,2]=4 14000 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,2,0,0,0,0|0,0,2]=4 14001 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,2,0,0,0,0|0,0,2]=4 14002 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,2,0,0,0,0|0,0,2]=4 14003 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,2,0,0,0,0|1,0,0]=3 14004 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,2,0,0,0,0|1,0,0]=3 14005 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,2,0,0,0,0|1,0,0]=3 14006 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,2,0,0,0,0|1,0,0]=3 14007 B11R0.148 C=CCCCCSCCN(C)C 62a_100011215482_100000755713 [0,2,0,0,0,0|2,0,0]=4 14008 B11R0.148 C=CCCCCSCOC(C)C 62a_100000709892_100011215482 [0,2,0,0,0,0|2,0,0]=4 14009 B11R0.148 C=CCCCCSCOC(C)C 62a_100011215482_100000709892 [0,2,0,0,0,0|2,0,0]=4 14010 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,2,0,0,0,0|0,0,2]=4 14011 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,2,0,0,0,0|0,0,2]=4 14012 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,2,0,0,0,0|0,0,2]=4 14013 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,2,0,0,0,0|1,0,0]=3 14014 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,2,0,0,0,0|1,0,0]=3 14015 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,2,0,0,0,0|1,0,0]=3 14016 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,2,0,0,0,0|1,0,0]=3 14017 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,2,0,0,0,0|1,0,0]=3 14018 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,2,0,0,0,0|1,0,0]=3 14019 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [0,2,0,0,0,0|2,0,0]=4 14020 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000700776_100000211751 [0,2,0,0,0,0|2,0,0]=4 14021 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000701111_100011713584 [0,2,0,0,0,0|2,0,0]=4 14022 B11R0.148 C=CCCCNCCOC(C)C 34a_100000700776_100000211751 [0,2,0,0,0,0|2,0,0]=4 14023 B11R0.148 C=CCCCNCCOC(C)C 34a_100000701111_100000757094 [0,2,0,0,0,0|2,0,0]=4 14024 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000700776_100000730970 [0,2,0,0,0,0|2,0,0]=4 14025 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000731138_100011713584 [0,2,0,0,0,0|2,0,0]=4 14026 B11R0.148 C=CCCCNCCSC(C)C 34a_100000700776_100000730970 [0,2,0,0,0,0|2,0,0]=4 14027 B11R0.148 C=CCCCNCCSC(C)C 34a_100000731138_100000757094 [0,2,0,0,0,0|2,0,0]=4 14028 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,2,0,0,0,0|0,0,2]=4 14029 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,2,0,0,0,0|0,0,2]=4 14030 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,2,0,0,0,0|0,0,2]=4 14031 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,2,0,0,0,0|0,0,2]=4 14032 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,2,0,0,0,0|0,0,2]=4 14033 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,2,0,0,0,0|0,0,2]=4 14034 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,2,0,0,0,0|1,0,0]=3 14035 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,2,0,0,0,0|1,0,0]=3 14036 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,2,0,0,0,0|1,0,0]=3 14037 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,2,0,0,0,0|1,0,0]=3 14038 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,2,0,0,0,0|1,0,0]=3 14039 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,2,0,0,0,0|1,0,0]=3 14040 B11R0.148 C=CCCCOCCCN(C)C 7a_100000758997_100000757444 [0,2,0,0,0,0|2,0,0]=4 14041 B11R0.148 C=CCCCOCCNC(C)C 34a_100000224655_100000757094 [0,2,0,0,0,0|2,0,0]=4 14042 B11R0.148 C=CCCCOCCOC(C)C 34a_100000211219_100000757094 [0,2,0,0,0,0|2,0,0]=4 14043 B11R0.148 C=CCCCOCCOC(C)C 34a_100000758997_100000211751 [0,2,0,0,0,0|2,0,0]=4 14044 B11R0.148 C=CCCCOCCOC(C)C 7a_100000211219_100000757094 [0,2,0,0,0,0|2,0,0]=4 14045 B11R0.148 C=CCCCOCCOC(C)C 7a_100000758997_100000211751 [0,2,0,0,0,0|2,0,0]=4 14046 B11R0.148 C=CCCCOCCSC(C)C 34a_100000758997_100000730970 [0,2,0,0,0,0|2,0,0]=4 14047 B11R0.148 C=CCCCOCCSC(C)C 34a_200011212901_100000757094 [0,2,0,0,0,0|2,0,0]=4 14048 B11R0.148 C=CCCCOCCSC(C)C 7a_100000758997_100000730970 [0,2,0,0,0,0|2,0,0]=4 14049 B11R0.148 C=CCCCOCCSC(C)C 7a_200011212901_100000757094 [0,2,0,0,0,0|2,0,0]=4 14050 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,2,0,0,0,0|0,0,2]=4 14051 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,2,0,0,0,0|0,0,2]=4 14052 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,2,0,0,0,0|0,0,2]=4 14053 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,2,0,0,0,0|0,0,2]=4 14054 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,2,0,0,0,0|1,0,0]=3 14055 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,2,0,0,0,0|1,0,0]=3 14056 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,2,0,0,0,0|1,0,0]=3 14057 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,2,0,0,0,0|1,0,0]=3 14058 B11R0.148 C=CCCCSCCCN(C)C 62a_100011713584_100000757444 [0,2,0,0,0,0|2,0,0]=4 14059 B11R0.148 C=CCCCSCCOC(C)C 62a_100000211751_100000757094 [0,2,0,0,0,0|2,0,0]=4 14060 B11R0.148 C=CCCCSCCOC(C)C 62a_100011713584_100000211751 [0,2,0,0,0,0|2,0,0]=4 14061 B11R0.148 C=CCCCSCCSC(C)C 62a_100000730970_100000757094 [0,2,0,0,0,0|2,0,0]=4 14062 B11R0.148 C=CCCCSCCSC(C)C 62a_100011713584_100000730970 [0,2,0,0,0,0|2,0,0]=4 14063 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,2,0,0,0,0|0,0,2]=4 14064 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,2,0,0,0,0|1,0,0]=3 14065 B11R0.148 C=CCCNCCCOC(C)C 2230a_100000737246_100000754431 [0,2,0,0,0,0|2,0,0]=4 14066 B11R0.148 C=CCCNCCCOC(C)C 34a_100000737246_100000754431 [0,2,0,0,0,0|2,0,0]=4 14067 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,2,0,0,0,0|0,0,2]=4 14068 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,2,0,0,0,0|0,0,2]=4 14069 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,2,0,0,0,0|0,0,2]=4 14070 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,2,0,0,0,0|1,0,0]=3 14071 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,2,0,0,0,0|1,0,0]=3 14072 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,2,0,0,0,0|1,0,0]=3 14073 B11R0.148 C=CCCOCCCNC(C)C 34a_100000182298_100000754431 [0,2,0,0,0,0|2,0,0]=4 14074 B11R0.148 C=CCCOCCNCC(C)C 34a_100015185251_100000754431 [0,2,0,0,0,0|2,0,0]=4 14075 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [0,2,0,0,0,0|2,0,0]=4 14076 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [0,2,0,0,0,0|2,0,0]=4 14077 B11R0.148 C=CCCOCCSCC(C)C 34a_200000230437_100000754431 [0,2,0,0,0,0|2,0,0]=4 14078 B11R0.148 C=CCCOCCSCC(C)C 7a_200000230437_100000754431 [0,2,0,0,0,0|2,0,0]=4 14079 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,2,0,0,0,0|0,0,2]=4 14080 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,2,0,0,0,0|0,0,2]=4 14081 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,2,0,0,0,0|1,0,0]=3 14082 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,2,0,0,0,0|1,0,0]=3 14083 B11R0.148 C=CCCSCCCCN(C)C 62a_100000754431_100000690147 [0,2,0,0,0,0|2,0,0]=4 14084 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,2,0,0,0,0|0,0,2]=4 14085 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,2,0,0,0,0|1,0,0]=3 14086 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,2,0,0,0,0|1,0,0]=3 14087 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,2,0,0,0,0|1,0,0]=3 14088 B11R0.148 C=CCNCCCOCC(C)C 2230a_100000205972_100000210623 [0,2,0,0,0,0|2,0,0]=4 14089 B11R0.148 C=CCNCCCOCC(C)C 34a_100000205972_100015514636 [0,2,0,0,0,0|2,0,0]=4 14090 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,2,0,0,0,0|0,0,2]=4 14091 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,2,0,0,0,0|0,0,2]=4 14092 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,2,0,0,0,0|0,0,2]=4 14093 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,2,0,0,0,0|0,0,2]=4 14094 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,2,0,0,0,0|1,0,0]=3 14095 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,2,0,0,0,0|1,0,0]=3 14096 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,2,0,0,0,0|1,0,0]=3 14097 B11R0.148 C=CCOCCCCNC(C)C 34a_100011521146_100015514636 [0,2,0,0,0,0|2,0,0]=4 14098 B11R0.148 C=CCOCCOCCC(C)C 34a_100000037705_100000210312 [0,2,0,0,0,0|2,0,0]=4 14099 B11R0.148 C=CCOCCOCCC(C)C 7a_100000037705_100000210626 [0,2,0,0,0,0|2,0,0]=4 14100 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,2,0,0,0,0|2,0,0]=4 14101 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,2,0,0,0,0|2,0,0]=4 14102 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,2,0,0,0,0|0,0,2]=4 14103 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,2,0,0,0,0|0,0,2]=4 14104 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,2,0,0,0,0|1,0,0]=3 14105 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,2,0,0,0,0|1,0,0]=3 14106 B11R0.148 C=COCCCCOCC(C)C 34a_100000031558_100000210624 [0,2,0,0,0,0|2,0,0]=4 14107 B11R0.148 C=COCCCCOCC(C)C 7a_100000031558_100000210760 [0,2,0,0,0,0|2,0,0]=4 14108 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [0,2,0,0,0,0|2,0,0]=4 14109 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [0,2,0,0,0,0|2,0,0]=4 14110 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [0,2,0,0,0,0|2,0,0]=4 14111 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [0,2,0,0,0,0|2,0,0]=4 14112 B11R0.148 C=COCCCNCCC(C)C 2230a_100000210767_100000210312 [0,2,0,0,0,0|2,0,0]=4 14113 B11R0.148 C=COCCCNCCC(C)C 269862a_100000210767_100000185833 [0,2,0,0,0,0|2,0,0]=4 14114 B11R0.148 C=COCCCNCCC(C)C 34a_100000210767_100000210312 [0,2,0,0,0,0|2,0,0]=4 14115 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [0,2,0,0,0,0|2,0,0]=4 14116 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [0,2,0,0,0,0|2,0,0]=4 14117 B11R0.148 C=COCCNCCCC(C)C 2230a_200000737386_100000039644 [0,2,0,0,0,0|2,0,0]=4 14118 B11R0.148 C=COCCNCCCC(C)C 34a_200000737386_100000039644 [0,2,0,0,0,0|2,0,0]=4 14119 B11R0.148 C=COCCOCCCC(C)C 34a_100000033082_100011214892 [0,2,0,0,0,0|2,0,0]=4 14120 B11R0.148 C=COCCOCCCC(C)C 34a_100000210774_100000039644 [0,2,0,0,0,0|2,0,0]=4 14121 B11R0.148 C=COCCOCCCC(C)C 7a_100000210774_100000039644 [0,2,0,0,0,0|2,0,0]=4 14122 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,2,0,0,0,0|2,0,0]=4 14123 B11R0.148 C=COCCSCCCC(C)C 62a_100000039644_100011214892 [0,2,0,0,0,0|2,0,0]=4 14124 B11R0.148 C=COCCSCCCC(C)C 62a_100011214892_100000039644 [0,2,0,0,0,0|2,0,0]=4 14125 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [0,2,0,0,0,0|2,0,0]=4 14126 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [0,2,0,0,0,0|2,0,0]=4 14127 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,2,0,0,0,0|0,0,2]=4 14128 B11R0.148 CC#CCCOCCCC(=O)N 34a_100000750427_100102525003 [0,2,0,0,0,0|0,0,2]=4 14129 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,2,0,0,0,0|0,0,2]=4 14130 B11R0.148 CC#CCNCCCCC(=O)N 34a_100000696515_100000748600 [0,2,0,0,0,0|0,0,2]=4 14131 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,2,0,0,0,0|0,0,2]=4 14132 B11R0.148 CC#CCOCCCCC(=O)N 34a_100012022536_100000748600 [0,2,0,0,0,0|0,0,2]=4 14133 B11R0.148 CC#CCOCCCCC(=O)N 7a_100012022536_100000748600 [0,2,0,0,0,0|0,0,2]=4 14134 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,2,0,0,0,0|0,0,2]=4 14135 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,2,0,0,0,0|0,0,2]=4 14136 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [0,2,0,0,0,0|0,0,2]=4 14137 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [0,2,0,0,0,0|0,0,2]=4 14138 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [0,2,0,0,0,0|0,0,2]=4 14139 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [0,2,0,0,0,0|0,0,2]=4 14140 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,0]=2 14141 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|1,0,0]=3 14142 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|1,0,0]=3 14143 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|1,0,0]=3 14144 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|1,0,0]=3 14145 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|1,0,0]=3 14146 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,2,0,0,0,0|2,0,0]=4 14147 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,2,0,0,0,0|1,0,1]=4 14148 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,2,0,0,0,0|1,0,1]=4 14149 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|1,0,0]=3 14150 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|1,0,0]=3 14151 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|1,0,0]=3 14152 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|1,0,0]=3 14153 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|1,0,0]=3 14154 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,2,0,0,0,0|1,0,1]=4 14155 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,2,0,0,0,0|0,0,1]=3 14156 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|1,0,0]=3 14157 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|1,0,0]=3 14158 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|1,0,0]=3 14159 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|1,0,0]=3 14160 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|1,0,0]=3 14161 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|1,0,0]=3 14162 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|1,0,0]=3 14163 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|1,0,0]=3 14164 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|1,0,0]=3 14165 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|1,0,0]=3 14166 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|1,0,0]=3 14167 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,2,0,0,0,0|1,0,1]=4 14168 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,2,0,0,0,0|1,0,1]=4 14169 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,2,0,0,0,0|0,0,1]=3 14170 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,2,0,0,0,0|0,0,1]=3 14171 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|1,0,0]=3 14172 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|1,0,0]=3 14173 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|1,0,0]=3 14174 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|1,0,0]=3 14175 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,2,0,0,0,0|1,0,1]=4 14176 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,2,0,0,0,0|0,0,1]=3 14177 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|1,0,0]=3 14178 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|1,0,0]=3 14179 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|1,0,0]=3 14180 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|1,0,0]=3 14181 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|1,0,0]=3 14182 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|1,0,0]=3 14183 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|1,0,0]=3 14184 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,2,0,0,0,0|2,0,0]=4 14185 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,2,0,0,0,0|2,0,0]=4 14186 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,2,0,0,0,0|2,0,0]=4 14187 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,2,0,0,0,0|2,0,0]=4 14188 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,2,0,0,0,0|2,0,0]=4 14189 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,2,0,0,0,0|2,0,0]=4 14190 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,2,0,0,0,0|2,0,0]=4 14191 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,2,0,0,0,0|2,0,0]=4 14192 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,2,0,0,0,0|1,0,1]=4 14193 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,2,0,0,0,0|1,0,1]=4 14194 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,2,0,0,0,0|0,0,1]=3 14195 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,2,0,0,0,0|0,0,1]=3 14196 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|1,0,0]=3 14197 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|1,0,0]=3 14198 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|1,0,0]=3 14199 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|1,0,0]=3 14200 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,2,0,0,0,0|2,0,0]=4 14201 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,2,0,0,0,0|2,0,0]=4 14202 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|1,0,0]=3 14203 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|1,0,0]=3 14204 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,2,0,0,0,0|1,0,0]=3 14205 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,2,0,0,0,0|1,0,0]=3 14206 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,2,0,0,0,0|1,0,0]=3 14207 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,2,0,0,0,0|2,0,0]=4 14208 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,2,0,0,0,0|1,0,1]=4 14209 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,2,0,0,0,0|1,0,1]=4 14210 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,2,0,0,0,0|2,0,0]=4 14211 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,2,0,0,0,0|2,0,0]=4 14212 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,2,0,0,0,0|2,0,0]=4 14213 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,2,0,0,0,0|2,0,0]=4 14214 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,2,0,0,0,0|2,0,0]=4 14215 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,2,0,0,0,0|2,0,0]=4 14216 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,2,0,0,0,0|2,0,0]=4 14217 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,2,0,0,0,0|2,0,0]=4 14218 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,2,0,0,0,0|2,0,0]=4 14219 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,2,0,0,0,0|1,0,1]=4 14220 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,2,0,0,0,0|2,0,0]=4 14221 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,2,0,0,0,0|2,0,0]=4 14222 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,2,0,0,0,0|2,0,0]=4 14223 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,2,0,0,0,0|2,0,0]=4 14224 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,2,0,0,0,0|2,0,0]=4 14225 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,2,0,0,0,0|2,0,0]=4 14226 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,2,0,0,0,0|2,0,0]=4 14227 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,2,0,0,0,0|1,0,1]=4 14228 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,2,0,0,0,0|1,0,1]=4 14229 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,2,0,0,0,0|2,0,0]=4 14230 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,2,0,0,0,0|2,0,0]=4 14231 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,2,0,0,0,0|2,0,0]=4 14232 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,2,0,0,0,0|2,0,0]=4 14233 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,2,0,0,0,0|2,0,0]=4 14234 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,2,0,0,0,0|2,0,0]=4 14235 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,2,0,0,0,0|2,0,0]=4 14236 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|2,0,0]=4 14237 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,2,0,0,0,0|1,0,1]=4 14238 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,2,0,0,0,0|1,0,1]=4 14239 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,2,0,0,0,0|2,0,0]=4 14240 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,2,0,0,0,0|2,0,0]=4 14241 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,2,0,0,0,0|2,0,0]=4 14242 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,2,0,0,0,0|2,0,0]=4 14243 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|2,0,0]=4 14244 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|2,0,0]=4 14245 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,2,0,0,0,0|1,0,1]=4 14246 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,2,0,0,0,0|1,0,1]=4 14247 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,2,0,0,0,0|2,0,0]=4 14248 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,2,0,0,0,0|2,0,0]=4 14249 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|2,0,0]=4 14250 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|2,0,0]=4 14251 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,2,0,0,0,0|2,0,0]=4 14252 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|2,0,0]=4 14253 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|2,0,0]=4 14254 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|2,0,0]=4 14255 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|2,0,0]=4 14256 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,2,0,0,0,0|2,0,0]=4 14257 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,2,0,0,0,0|2,0,0]=4 14258 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|2,0,0]=4 14259 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|2,0,0]=4 14260 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|2,0,0]=4 14261 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|2,0,0]=4 14262 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 14263 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 14264 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|2,0,0]=4 14265 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|2,0,0]=4 14266 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|2,0,0]=4 14267 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|2,0,0]=4 14268 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,2,0,0,0,0|1,0,1]=4 14269 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,2,0,0,0,0|1,0,1]=4 14270 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,2,0,0,0,0|2,0,0]=4 14271 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,2,0,0,0,0|2,0,0]=4 14272 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 14273 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|2,0,0]=4 14274 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|2,0,0]=4 14275 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|2,0,0]=4 14276 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|2,0,0]=4 14277 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|2,0,0]=4 14278 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|2,0,0]=4 14279 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,2,0,0,0,0|1,0,1]=4 14280 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,2,0,0,0,0|1,0,1]=4 14281 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,2,0,0,0,0|2,0,0]=4 14282 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,2,0,0,0,0|2,0,0]=4 14283 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|2,0,0]=4 14284 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|2,0,0]=4 14285 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,2,0,0,0,0|2,0,0]=4 14286 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,2,0,0,0,0|2,0,0]=4 14287 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,2,0,0,0,0|2,0,0]=4 14288 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,2,0,0,0,0|2,0,0]=4 14289 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,2,0,0,0,0|2,0,0]=4 14290 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,2,0,0,0,0|1,0,1]=4 14291 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,2,0,0,0,0|1,0,1]=4 14292 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,2,0,0,0,0|2,0,0]=4 14293 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,2,0,0,0,0|2,0,0]=4 14294 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,2,0,0,0,0|2,0,0]=4 14295 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,2,0,0,0,0|2,0,0]=4 14296 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,2,0,0,0,0|2,0,0]=4 14297 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,2,0,0,0,0|2,0,0]=4 14298 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,2,0,0,0,0|2,0,0]=4 14299 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,2,0,0,0,0|2,0,0]=4 14300 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,2,0,0,0,0|2,0,0]=4 14301 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,2,0,0,0,0|2,0,0]=4 14302 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,2,0,0,0,0|2,0,0]=4 14303 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,2,0,0,0,0|2,0,0]=4 14304 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,2,0,0,0,0|2,0,0]=4 14305 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,2,0,0,0,0|2,0,0]=4 14306 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,2,0,0,0,0|1,0,1]=4 14307 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|0,0,2]=4 14308 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,2,0,0,0,0|1,0,1]=4 14309 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|0,0,2]=4 14310 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,2,0,0,0,0|0,0,2]=4 14311 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,2,0,0,0,0|0,0,2]=4 14312 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,2,0,0,0,0|1,0,1]=4 14313 B11R0.148 CC(C)CCCCCNCC#N 2230a_100011290863_100011215382 [0,2,0,0,0,0|1,0,1]=4 14314 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,2,0,0,0,0|0,0,0]=2 14315 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,2,0,0,0,0|0,0,0]=2 14316 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,2,0,0,0,0|1,0,1]=4 14317 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,2,0,0,0,0|1,0,1]=4 14318 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,2,0,0,0,0|1,0,1]=4 14319 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 14320 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|0,0,2]=4 14321 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 14322 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|0,0,2]=4 14323 B11R0.148 CC(C)CCCCCOCC#N 7a_100011995859_100011215382 [0,2,0,0,0,0|1,0,1]=4 14324 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,2,0,0,0,0|0,0,0]=2 14325 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,2,0,0,0,0|0,0,0]=2 14326 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,2,0,0,0,0|1,0,1]=4 14327 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,2,0,0,0,0|1,0,1]=4 14328 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,2,0,0,0,0|1,0,1]=4 14329 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,2,0,0,0,0|1,0,1]=4 14330 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|0,0,2]=4 14331 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|0,0,2]=4 14332 B11R0.148 CC(C)CCCCCSCC#N 62a_100000210682_100011215382 [0,2,0,0,0,0|1,0,1]=4 14333 B11R0.148 CC(C)CCCCCSCC#N 62a_100011215382_100000210682 [0,2,0,0,0,0|1,0,1]=4 14334 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,2,0,0,0,0|0,0,0]=2 14335 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,2,0,0,0,0|0,0,0]=2 14336 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,2,0,0,0,0|1,0,1]=4 14337 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,2,0,0,0,0|1,0,1]=4 14338 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,2,0,0,0,0|0,0,2]=4 14339 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,2,0,0,0,0|0,0,2]=4 14340 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,2,0,0,0,0|1,0,1]=4 14341 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,2,0,0,0,0|1,0,1]=4 14342 B11R0.148 CC(C)CCCCOCCC#N 7a_100011214890_100000184422 [0,2,0,0,0,0|1,0,1]=4 14343 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,2,0,0,0,0|1,0,1]=4 14344 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,2,0,0,0,0|1,0,1]=4 14345 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,2,0,0,0,0|1,0,1]=4 14346 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,2,0,0,0,0|1,0,1]=4 14347 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,2,0,0,0,0|1,0,1]=4 14348 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,2,0,0,0,0|1,0,1]=4 14349 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|0,0,2]=4 14350 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|0,0,2]=4 14351 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,2,0,0,0,0|2,0,0]=4 14352 B11R0.148 CC(C)CCCCSCCC#N 62a_100011215226_100011216152 [0,2,0,0,0,0|1,0,1]=4 14353 B11R0.148 CC(C)CCCCSCCC#N 62a_100011216152_100011215226 [0,2,0,0,0,0|1,0,1]=4 14354 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,2,0,0,0,0|1,0,1]=4 14355 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,2,0,0,0,0|1,0,1]=4 14356 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,2,0,0,0,0|0,0,2]=4 14357 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,2,0,0,0,0|0,0,2]=4 14358 B11R0.148 CC(C)CCCNCCCC#N 2230a_200000737386_100000687738 [0,2,0,0,0,0|1,0,1]=4 14359 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,2,0,0,0,0|0,0,0]=2 14360 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,2,0,0,0,0|1,0,1]=4 14361 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,2,0,0,0,0|1,0,1]=4 14362 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,2,0,0,0,0|0,0,2]=4 14363 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,2,0,0,0,0|0,0,2]=4 14364 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,2,0,0,0,0|0,0,2]=4 14365 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,2,0,0,0,0|0,0,2]=4 14366 B11R0.148 CC(C)CCCOCCCC#N 7a_100000210774_100000687738 [0,2,0,0,0,0|1,0,1]=4 14367 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,2,0,0,0,0|0,0,0]=2 14368 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,2,0,0,0,0|1,0,1]=4 14369 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,2,0,0,0,0|1,0,1]=4 14370 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,2,0,0,0,0|1,0,1]=4 14371 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,2,0,0,0,0|1,0,1]=4 14372 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,2,0,0,0,0|1,0,1]=4 14373 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,2,0,0,0,0|1,0,1]=4 14374 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,2,0,0,0,0|1,0,1]=4 14375 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,2,0,0,0,0|1,0,1]=4 14376 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,2,0,0,0,0|1,0,1]=4 14377 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,2,0,0,0,0|0,0,2]=4 14378 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,2,0,0,0,0|0,0,2]=4 14379 B11R0.148 CC(C)CCCSCCCC#N 62a_100000687738_100011214892 [0,2,0,0,0,0|1,0,1]=4 14380 B11R0.148 CC(C)CCCSCCCC#N 62a_100011214892_100000687738 [0,2,0,0,0,0|1,0,1]=4 14381 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,2,0,0,0,0|0,0,0]=2 14382 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,2,0,0,0,0|0,0,0]=2 14383 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,2,0,0,0,0|1,0,1]=4 14384 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,2,0,0,0,0|1,0,1]=4 14385 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,2,0,0,0,0|0,0,2]=4 14386 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,2,0,0,0,0|0,0,2]=4 14387 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,2,0,0,0,0|0,0,2]=4 14388 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,2,0,0,0,0|0,0,2]=4 14389 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,2,0,0,0,0|0,0,2]=4 14390 B11R0.148 CC(C)CCOCCCCC#N 7a_100000210254_100000211819 [0,2,0,0,0,0|1,0,1]=4 14391 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,2,0,0,0,0|0,0,0]=2 14392 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,2,0,0,0,0|1,0,1]=4 14393 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,2,0,0,0,0|1,0,1]=4 14394 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,2,0,0,0,0|1,0,1]=4 14395 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,2,0,0,0,0|1,0,1]=4 14396 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,2,0,0,0,0|1,0,1]=4 14397 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,2,0,0,0,0|1,0,1]=4 14398 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,2,0,0,0,0|1,0,1]=4 14399 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,2,0,0,0,0|1,0,1]=4 14400 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,2,0,0,0,0|1,0,1]=4 14401 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|0,0,2]=4 14402 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|0,0,2]=4 14403 B11R0.148 CC(C)CCSCCCCC#N 62a_100000210312_100000211819 [0,2,0,0,0,0|1,0,1]=4 14404 B11R0.148 CC(C)CCSCCCCC#N 62a_100011219923_100000210312 [0,2,0,0,0,0|1,0,1]=4 14405 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,2,0,0,0,0|0,0,0]=2 14406 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,2,0,0,0,0|0,0,0]=2 14407 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,2,0,0,0,0|1,0,1]=4 14408 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,2,0,0,0,0|1,0,1]=4 14409 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,2,0,0,0,0|0,0,2]=4 14410 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,2,0,0,0,0|0,0,2]=4 14411 B11R0.148 CC(C)CNCCCCCC#N 2230a_100000210953_100009813376 [0,2,0,0,0,0|1,0,1]=4 14412 B11R0.148 CC(C)CNCCCCCC#N 270004a_100000061152_100000210432 [0,2,0,0,0,0|1,0,1]=4 14413 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,2,0,0,0,0|0,0,0]=2 14414 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,2,0,0,0,0|1,0,1]=4 14415 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,2,0,0,0,0|1,0,1]=4 14416 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,2,0,0,0,0|0,0,2]=4 14417 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,2,0,0,0,0|0,0,2]=4 14418 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,2,0,0,0,0|0,0,2]=4 14419 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,2,0,0,0,0|0,0,2]=4 14420 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,2,0,0,0,0|0,0,2]=4 14421 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,2,0,0,0,0|1,0,1]=4 14422 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,2,0,0,0,0|1,0,1]=4 14423 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,2,0,0,0,0|1,0,1]=4 14424 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,2,0,0,0,0|1,0,1]=4 14425 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,2,0,0,0,0|1,0,1]=4 14426 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,2,0,0,0,0|1,0,1]=4 14427 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,2,0,0,0,0|1,0,1]=4 14428 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,2,0,0,0,0|1,0,1]=4 14429 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|0,0,2]=4 14430 B11R0.148 CC(C)COCCCNCC=O 2230a_100000205972_200015260668 [0,2,0,0,0,0|1,0,0]=3 14431 B11R0.148 CC(C)COCCCNCC=O 34a_100000205972_200009817547 [0,2,0,0,0,0|1,0,0]=3 14432 B11R0.148 CC(C)CSCCCCCC#N 62a_100000210624_100009813376 [0,2,0,0,0,0|1,0,1]=4 14433 B11R0.148 CC(C)CSCCCCCC#N 62a_100009813376_100000210760 [0,2,0,0,0,0|1,0,1]=4 14434 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,2,0,0,0,0|0,0,0]=2 14435 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,2,0,0,0,0|0,0,0]=2 14436 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,2,0,0,0,0|1,0,1]=4 14437 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,2,0,0,0,0|1,0,1]=4 14438 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,2,0,0,0,0|0,0,2]=4 14439 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,2,0,0,0,0|0,0,2]=4 14440 B11R0.148 CC(C)NCCCCCCC#N 2230a_100138425928_100009813337 [0,2,0,0,0,0|1,0,1]=4 14441 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|0,0,2]=4 14442 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|0,0,2]=4 14443 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|0,0,2]=4 14444 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|0,0,2]=4 14445 B11R0.148 CC(C)NCCCCOCC=O 34a_100011521146_200009817547 [0,2,0,0,0,0|1,0,0]=3 14446 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,2,0,0,0,0|1,0,1]=4 14447 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,2,0,0,0,0|1,0,1]=4 14448 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,2,0,0,0,0|1,0,1]=4 14449 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,2,0,0,0,0|0,0,2]=4 14450 B11R0.148 CC(C)OCCNCCCC=O 2230a_100000701111_200011292268 [0,2,0,0,0,0|1,0,0]=3 14451 B11R0.148 CC(C)OCCOCCCC=O 7a_100000211219_200011292268 [0,2,0,0,0,0|1,0,0]=3 14452 B11R0.148 CC(C)OCCSCCCC=O 62a_100000211751_200011292268 [0,2,0,0,0,0|1,0,0]=3 14453 B11R0.148 CC(C)OCCSCCCC=O 62a_200011292268_100000211751 [0,2,0,0,0,0|1,0,0]=3 14454 B11R0.148 CC(C)OCSCCCCC=O 62a_100000139335_100000709892 [0,2,0,0,0,0|1,0,0]=3 14455 B11R0.148 CC(C)OCSCCCCC=O 62a_100000709892_100000139335 [0,2,0,0,0,0|1,0,0]=3 14456 B11R0.148 CC(C)SCCCCCCC#N 62a_100000210206_100009813337 [0,2,0,0,0,0|1,0,1]=4 14457 B11R0.148 CC(C)SCCCCCCC#N 62a_100009813337_100000210206 [0,2,0,0,0,0|1,0,1]=4 14458 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,2,0,0,0,0|0,0,2]=4 14459 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,2,0,0,0,0|0,0,2]=4 14460 B11R0.148 CC(C)SCCNCCCC=O 2230a_100000731138_200011292268 [0,2,0,0,0,0|1,0,0]=3 14461 B11R0.148 CC(C)SCCOCCCC=O 7a_200011212901_200011292268 [0,2,0,0,0,0|1,0,0]=3 14462 B11R0.148 CC(C)SCCSCCCC=O 62a_100000730970_200011292268 [0,2,0,0,0,0|1,0,0]=3 14463 B11R0.148 CC(C)SCCSCCCC=O 62a_200011292268_100000730970 [0,2,0,0,0,0|1,0,0]=3 14464 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,2,0,0,0,0|1,0,1]=4 14465 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|0,0,2]=4 14466 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|0,0,2]=4 14467 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,2]=4 14468 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,2,0,0,0,0|1,0,1]=4 14469 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,2,0,0,0,0|1,0,1]=4 14470 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,2,0,0,0,0|1,0,1]=4 14471 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,2,0,0,0,0|1,0,1]=4 14472 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,2,0,0,0,0|1,0,1]=4 14473 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,2,0,0,0,0|1,0,1]=4 14474 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,2,0,0,0,0|1,0,1]=4 14475 B11R0.148 CC(O)CCCSCCCC#N 62a_100000687738_200000718107 [0,2,0,0,0,0|1,0,1]=4 14476 B11R0.148 CC(O)CCCSCCCC#N 62a_200000718107_100000687738 [0,2,0,0,0,0|1,0,1]=4 14477 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,2,0,0,0,0|0,0,0]=2 14478 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,2,0,0,0,0|0,0,0]=2 14479 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,2,0,0,0,0|1,0,1]=4 14480 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,2,0,0,0,0|1,0,1]=4 14481 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|0,0,2]=4 14482 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|0,0,2]=4 14483 B11R0.148 CC(O)CCNCCCCC#N 2230a_200000755665_100000211819 [0,2,0,0,0,0|1,0,1]=4 14484 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,2,0,0,0,0|0,0,0]=2 14485 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,2,0,0,0,0|1,0,1]=4 14486 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|0,0,2]=4 14487 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|0,0,2]=4 14488 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,2]=4 14489 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|1,0,1]=4 14490 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|1,0,1]=4 14491 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 14492 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 14493 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|1,0,1]=4 14494 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|1,0,1]=4 14495 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|1,0,1]=4 14496 B11R0.148 CC(O)CCSCCCCC#N 62a_100011219923_100012276601 [0,2,0,0,0,0|1,0,1]=4 14497 B11R0.148 CC(O)CCSCCCCC#N 62a_100012276601_100000211819 [0,2,0,0,0,0|1,0,1]=4 14498 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,2,0,0,0,0|0,0,0]=2 14499 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,2,0,0,0,0|0,0,0]=2 14500 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,2,0,0,0,0|1,0,1]=4 14501 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,2,0,0,0,0|1,0,1]=4 14502 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|0,0,2]=4 14503 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|0,0,2]=4 14504 B11R0.148 CC(O)CNCCCCCC#N 2230a_100000210904_100009813376 [0,2,0,0,0,0|1,0,1]=4 14505 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,2,0,0,0,0|0,0,0]=2 14506 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,2,0,0,0,0|1,0,1]=4 14507 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|1,0,1]=4 14508 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|0,0,2]=4 14509 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|0,0,2]=4 14510 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|0,0,2]=4 14511 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|0,0,2]=4 14512 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|1,0,1]=4 14513 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|1,0,1]=4 14514 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 14515 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 14516 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|1,0,1]=4 14517 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|1,0,1]=4 14518 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|1,0,1]=4 14519 B11R0.148 CC(O)CSCCCCCC#N 62a_100009813376_100011218427 [0,2,0,0,0,0|1,0,1]=4 14520 B11R0.148 CC(O)CSCCCCCC#N 62a_100011218427_100009813376 [0,2,0,0,0,0|1,0,1]=4 14521 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,2,0,0,0,0|0,0,0]=2 14522 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,2,0,0,0,0|0,0,0]=2 14523 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,2,0,0,0,0|1,0,1]=4 14524 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,2,0,0,0,0|1,0,1]=4 14525 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|0,0,2]=4 14526 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|0,0,2]=4 14527 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,2,0,0,0,0|0,0,2]=4 14528 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,2,0,0,0,0|0,0,2]=4 14529 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,2,0,0,0,0|0,0,2]=4 14530 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 14531 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 14532 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,2]=4 14533 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,2,0,0,0,0|0,0,2]=4 14534 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,2,0,0,0,0|0,0,2]=4 14535 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,2,0,0,0,0|0,0,2]=4 14536 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,2,0,0,0,0|0,0,2]=4 14537 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,2,0,0,0,0|0,0,2]=4 14538 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,2,0,0,0,0|0,0,2]=4 14539 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,2,0,0,0,0|0,0,2]=4 14540 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,2,0,0,0,0|0,0,2]=4 14541 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,2,0,0,0,0|0,0,2]=4 14542 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|0,0,2]=4 14543 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|0,0,2]=4 14544 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|0,0,2]=4 14545 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,2,0,0,0,0|0,0,2]=4 14546 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,2,0,0,0,0|0,0,2]=4 14547 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,2,0,0,0,0|0,0,2]=4 14548 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,2,0,0,0,0|0,0,2]=4 14549 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,2,0,0,0,0|0,0,2]=4 14550 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,2,0,0,0,0|0,0,2]=4 14551 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [0,2,0,0,0,0|1,0,1]=4 14552 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|1,0,1]=4 14553 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,2,0,0,0,0|0,0,2]=4 14554 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,2,0,0,0,0|0,0,2]=4 14555 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,2,0,0,0,0|0,0,2]=4 14556 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [0,2,0,0,0,0|1,0,1]=4 14557 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [0,2,0,0,0,0|1,0,1]=4 14558 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,2,0,0,0,0|0,0,2]=4 14559 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,2,0,0,0,0|0,0,2]=4 14560 B11R0.148 CC=CCSCCCCC(C)C 62a_100000070051_100011216152 [0,2,0,0,0,0|1,0,1]=4 14561 B11R0.148 CC=CCSCCCCC(C)C 62a_100011216152_100000070051 [0,2,0,0,0,0|1,0,1]=4 14562 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,2,0,0,0,0|0,0,2]=4 14563 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,2,0,0,0,0|0,0,2]=4 14564 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,2,0,0,0,0|0,0,2]=4 14565 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,2,0,0,0,0|0,0,2]=4 14566 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,2,0,0,0,0|0,0,2]=4 14567 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,2,0,0,0,0|0,0,2]=4 14568 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,2,0,0,0,0|0,0,2]=4 14569 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,2,0,0,0,0|0,0,2]=4 14570 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,2,0,0,0,0|0,0,2]=4 14571 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,2,0,0,0,0|0,0,2]=4 14572 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,2,0,0,0,0|0,0,2]=4 14573 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,2,0,0,0,0|0,0,2]=4 14574 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|0,0,2]=4 14575 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,2,0,0,0,0|0,0,2]=4 14576 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,2,0,0,0,0|0,0,2]=4 14577 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,2,0,0,0,0|0,0,2]=4 14578 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,2,0,0,0,0|0,0,2]=4 14579 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,2,0,0,0,0|0,0,2]=4 14580 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,2,0,0,0,0|0,0,2]=4 14581 B11R0.148 CCCC#CCOCCC(=O)N 34a_100000034806_100000731001 [0,2,0,0,0,0|0,0,2]=4 14582 B11R0.148 CCCC#CCOCCC(=O)N 7a_100000034806_100000744528 [0,2,0,0,0,0|0,0,2]=4 14583 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,2,0,0,0,0|0,0,2]=4 14584 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,2,0,0,0,0|0,0,2]=4 14585 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,2,0,0,0,0|0,0,2]=4 14586 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,2,0,0,0,0|0,0,1]=3 14587 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,2,0,0,0,0|0,0,2]=4 14588 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,2,0,0,0,0|0,0,2]=4 14589 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,2,0,0,0,0|0,0,2]=4 14590 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|0,0,1]=3 14591 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|0,0,1]=3 14592 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|0,0,1]=3 14593 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|0,0,1]=3 14594 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,2,0,0,0,0|1,0,1]=4 14595 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|0,0,1]=3 14596 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|0,0,1]=3 14597 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|0,0,0]=2 14598 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|0,0,0]=2 14599 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|0,0,0]=2 14600 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,2,0,0,0,0|1,0,1]=4 14601 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,2,0,0,0,0|1,0,1]=4 14602 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,2,0,0,0,0|1,0,1]=4 14603 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,2,0,0,0,0|1,0,1]=4 14604 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,2,0,0,0,0|1,0,1]=4 14605 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,2,0,0,0,0|1,0,1]=4 14606 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|0,0,0]=2 14607 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|0,0,0]=2 14608 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|0,0,0]=2 14609 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|0,0,0]=2 14610 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,2,0,0,0,0|1,0,1]=4 14611 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,2,0,0,0,0|1,0,1]=4 14612 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,2,0,0,0,0|1,0,1]=4 14613 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,2,0,0,0,0|1,0,1]=4 14614 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,2,0,0,0,0|1,0,1]=4 14615 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,2,0,0,0,0|1,0,1]=4 14616 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,2,0,0,0,0|1,0,1]=4 14617 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,2,0,0,0,0|1,0,1]=4 14618 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,2,0,0,0,0|1,0,1]=4 14619 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,2,0,0,0,0|0,0,0]=2 14620 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,2,0,0,0,0|0,0,0]=2 14621 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|0,0,0]=2 14622 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,2,0,0,0,0|1,0,1]=4 14623 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,2,0,0,0,0|1,0,1]=4 14624 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,2,0,0,0,0|1,0,1]=4 14625 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,2,0,0,0,0|1,0,1]=4 14626 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|0,0,2]=4 14627 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|0,0,2]=4 14628 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|0,0,2]=4 14629 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,2,0,0,0,0|1,0,1]=4 14630 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,2,0,0,0,0|1,0,1]=4 14631 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|0,0,2]=4 14632 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,0]=2 14633 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,2,0,0,0,0|0,0,0]=2 14634 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,2,0,0,0,0|0,0,0]=2 14635 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,2,0,0,0,0|0,0,0]=2 14636 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,2,0,0,0,0|1,0,1]=4 14637 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,2,0,0,0,0|1,0,1]=4 14638 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,2,0,0,0,0|1,0,1]=4 14639 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,2,0,0,0,0|1,0,1]=4 14640 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,2,0,0,0,0|1,0,1]=4 14641 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|0,0,2]=4 14642 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|0,0,2]=4 14643 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,2,0,0,0,0|1,0,1]=4 14644 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,2,0,0,0,0|1,0,1]=4 14645 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,2,0,0,0,0|1,0,1]=4 14646 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,2,0,0,0,0|1,0,1]=4 14647 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,2,0,0,0,0|1,0,1]=4 14648 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|0,0,2]=4 14649 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|0,0,2]=4 14650 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,2,0,0,0,0|1,0,0]=3 14651 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,2,0,0,0,0|0,0,0]=2 14652 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,2,0,0,0,0|0,0,0]=2 14653 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,2,0,0,0,0|0,0,0]=2 14654 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,2,0,0,0,0|0,0,0]=2 14655 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,2,0,0,0,0|1,0,1]=4 14656 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,2,0,0,0,0|1,0,1]=4 14657 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|0,0,2]=4 14658 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|0,0,2]=4 14659 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,2,0,0,0,0|1,0,1]=4 14660 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,2,0,0,0,0|1,0,1]=4 14661 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|0,0,2]=4 14662 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|0,0,2]=4 14663 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,2,0,0,0,0|1,0,0]=3 14664 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,2,0,0,0,0|1,0,1]=4 14665 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,2,0,0,0,0|1,0,1]=4 14666 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,2,0,0,0,0|0,0,0]=2 14667 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,2,0,0,0,0|1,0,1]=4 14668 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,2,0,0,0,0|1,0,1]=4 14669 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|0,0,2]=4 14670 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|0,0,2]=4 14671 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,2,0,0,0,0|1,0,0]=3 14672 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,2,0,0,0,0|1,0,1]=4 14673 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,2,0,0,0,0|1,0,1]=4 14674 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,2,0,0,0,0|1,0,1]=4 14675 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,0]=2 14676 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,0]=2 14677 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,0]=2 14678 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,2,0,0,0,0|0,0,0]=2 14679 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,2,0,0,0,0|0,0,0]=2 14680 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,2,0,0,0,0|0,0,0]=2 14681 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,2,0,0,0,0|0,0,0]=2 14682 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,2,0,0,0,0|1,0,1]=4 14683 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,2,0,0,0,0|1,0,1]=4 14684 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,2,0,0,0,0|1,0,1]=4 14685 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,2,0,0,0,0|1,0,1]=4 14686 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,2,0,0,0,0|1,0,1]=4 14687 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|0,0,2]=4 14688 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|0,0,2]=4 14689 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,2,0,0,0,0|1,0,1]=4 14690 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,2,0,0,0,0|2,0,0]=4 14691 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,2,0,0,0,0|1,0,1]=4 14692 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|1,0,0]=3 14693 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,2,0,0,0,0|1,0,1]=4 14694 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,2,0,0,0,0|1,0,1]=4 14695 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|0,0,0]=2 14696 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|0,0,0]=2 14697 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,2,0,0,0,0|0,0,0]=2 14698 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,2,0,0,0,0|0,0,0]=2 14699 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,2,0,0,0,0|1,0,1]=4 14700 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,2,0,0,0,0|1,0,1]=4 14701 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|0,0,2]=4 14702 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|0,0,2]=4 14703 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,2,0,0,0,0|2,0,0]=4 14704 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|1,0,0]=3 14705 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|1,0,0]=3 14706 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,2,0,0,0,0|1,0,1]=4 14707 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,2,0,0,0,0|1,0,1]=4 14708 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,2,0,0,0,0|0,0,0]=2 14709 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,2,0,0,0,0|1,0,1]=4 14710 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,2,0,0,0,0|1,0,1]=4 14711 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,2,0,0,0,0|1,0,1]=4 14712 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|0,0,2]=4 14713 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,2,0,0,0,0|1,0,0]=3 14714 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,2,0,0,0,0|1,0,0]=3 14715 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,2,0,0,0,0|1,0,0]=3 14716 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,2,0,0,0,0|1,0,0]=3 14717 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,2,0,0,0,0|1,0,0]=3 14718 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,2,0,0,0,0|1,0,1]=4 14719 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,2,0,0,0,0|1,0,1]=4 14720 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,2,0,0,0,0|1,0,1]=4 14721 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,2,0,0,0,0|1,0,1]=4 14722 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|0,0,0]=2 14723 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|0,0,0]=2 14724 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|0,0,0]=2 14725 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|0,0,0]=2 14726 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,2,0,0,0,0|0,0,0]=2 14727 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,2,0,0,0,0|0,0,0]=2 14728 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,2,0,0,0,0|1,0,1]=4 14729 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,2,0,0,0,0|1,0,1]=4 14730 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,2,0,0,0,0|1,0,1]=4 14731 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,2,0,0,0,0|1,0,1]=4 14732 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|0,0,2]=4 14733 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|0,0,2]=4 14734 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,2,0,0,0,0|2,0,0]=4 14735 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,2,0,0,0,0|1,0,0]=3 14736 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,2,0,0,0,0|1,0,0]=3 14737 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,2,0,0,0,0|1,0,0]=3 14738 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,2,0,0,0,0|1,0,0]=3 14739 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,2,0,0,0,0|1,0,0]=3 14740 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|1,0,0]=3 14741 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|1,0,0]=3 14742 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,2,0,0,0,0|1,0,0]=3 14743 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,2,0,0,0,0|1,0,0]=3 14744 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,2,0,0,0,0|1,0,0]=3 14745 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,2,0,0,0,0|1,0,1]=4 14746 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,2,0,0,0,0|1,0,1]=4 14747 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,2,0,0,0,0|1,0,1]=4 14748 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,2,0,0,0,0|1,0,1]=4 14749 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|0,0,0]=2 14750 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|0,0,0]=2 14751 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,2,0,0,0,0|0,0,0]=2 14752 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,2,0,0,0,0|0,0,0]=2 14753 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,2,0,0,0,0|1,0,1]=4 14754 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,2,0,0,0,0|1,0,1]=4 14755 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|0,0,2]=4 14756 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|0,0,2]=4 14757 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,2,0,0,0,0|2,0,0]=4 14758 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,2,0,0,0,0|1,0,0]=3 14759 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,2,0,0,0,0|1,0,0]=3 14760 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,2,0,0,0,0|1,0,0]=3 14761 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,2,0,0,0,0|1,0,0]=3 14762 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|1,0,0]=3 14763 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|1,0,0]=3 14764 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,2,0,0,0,0|1,0,0]=3 14765 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,2,0,0,0,0|1,0,0]=3 14766 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,2,0,0,0,0|1,0,1]=4 14767 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,2,0,0,0,0|1,0,1]=4 14768 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|0,0,0]=2 14769 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,2,0,0,0,0|0,0,0]=2 14770 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,2,0,0,0,0|1,0,1]=4 14771 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,2,0,0,0,0|1,0,1]=4 14772 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,2,0,0,0,0|1,0,0]=3 14773 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|1,0,0]=3 14774 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,2,0,0,0,0|1,1,0]=4 14775 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,2,0,0,0,0|1,1,0]=4 14776 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,2,0,0,0,0|1,0,0]=3 14777 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,2,0,0,0,0|1,0,0]=3 14778 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,2,0,0,0,0|1,0,0]=3 14779 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,2,0,0,0,0|1,0,0]=3 14780 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,2,0,0,0,0|1,0,0]=3 14781 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,2,0,0,0,0|1,0,1]=4 14782 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,2,0,0,0,0|1,0,1]=4 14783 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|0,0,0]=2 14784 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|0,0,0]=2 14785 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,2,0,0,0,0|0,0,0]=2 14786 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,2,0,0,0,0|0,0,0]=2 14787 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,2,0,0,0,0|1,0,1]=4 14788 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,2,0,0,0,0|1,0,1]=4 14789 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,2,0,0,0,0|1,0,1]=4 14790 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,2,0,0,0,0|1,0,1]=4 14791 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,2,0,0,0,0|1,0,0]=3 14792 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,2,0,0,0,0|1,0,0]=3 14793 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,2,0,0,0,0|1,0,0]=3 14794 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,2,0,0,0,0|1,0,0]=3 14795 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,2,0,0,0,0|1,0,0]=3 14796 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,2,0,0,0,0|1,0,0]=3 14797 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|1,0,0]=3 14798 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|1,0,0]=3 14799 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,2,0,0,0,0|1,1,0]=4 14800 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,2,0,0,0,0|1,1,0]=4 14801 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,2,0,0,0,0|1,0,0]=3 14802 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,2,0,0,0,0|1,0,0]=3 14803 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,2,0,0,0,0|1,0,0]=3 14804 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|1,0,0]=3 14805 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|1,0,0]=3 14806 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|1,0,0]=3 14807 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,2,0,0,0,0|1,0,0]=3 14808 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,2,0,0,0,0|1,0,0]=3 14809 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,2,0,0,0,0|1,0,0]=3 14810 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,2,0,0,0,0|1,0,0]=3 14811 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|1,0,0]=3 14812 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,2,0,0,0,0|1,0,0]=3 14813 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,2,0,0,0,0|2,0,0]=4 14814 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,2,0,0,0,0|1,0,0]=3 14815 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,2,0,0,0,0|1,0,0]=3 14816 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,2,0,0,0,0|1,0,0]=3 14817 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,2,0,0,0,0|1,0,0]=3 14818 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,2,0,0,0,0|2,0,0]=4 14819 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,2,0,0,0,0|2,0,0]=4 14820 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|1,0,0]=3 14821 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,2,0,0,0,0|1,0,0]=3 14822 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,2,0,0,0,0|1,0,0]=3 14823 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,2,0,0,0,0|1,0,0]=3 14824 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,2,0,0,0,0|1,0,0]=3 14825 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,2,0,0,0,0|1,0,0]=3 14826 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,2,0,0,0,0|2,0,0]=4 14827 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,2,0,0,0,0|2,0,0]=4 14828 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,2,0,0,0,0|1,0,1]=4 14829 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,2,0,0,0,0|1,0,1]=4 14830 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|0,0,0]=2 14831 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|0,0,0]=2 14832 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,2,0,0,0,0|1,0,1]=4 14833 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,2,0,0,0,0|1,0,1]=4 14834 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,2,0,0,0,0|2,0,0]=4 14835 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|1,0,0]=3 14836 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|1,0,0]=3 14837 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,2,0,0,0,0|1,1,0]=4 14838 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,2,0,0,0,0|1,1,0]=4 14839 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,2,0,0,0,0|1,0,0]=3 14840 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,2,0,0,0,0|1,0,0]=3 14841 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,2,0,0,0,0|1,0,0]=3 14842 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,2,0,0,0,0|1,0,0]=3 14843 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,2,0,0,0,0|1,0,0]=3 14844 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,2,0,0,0,0|1,0,0]=3 14845 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,2,0,0,0,0|1,0,0]=3 14846 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,2,0,0,0,0|1,0,0]=3 14847 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,2,0,0,0,0|2,0,0]=4 14848 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,2,0,0,0,0|1,0,1]=4 14849 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,2,0,0,0,0|1,0,1]=4 14850 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,2,0,0,0,0|1,0,0]=3 14851 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,2,0,0,0,0|1,0,0]=3 14852 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,2,0,0,0,0|1,0,1]=4 14853 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,2,0,0,0,0|0,0,0]=2 14854 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,2,0,0,0,0|0,0,0]=2 14855 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,2,0,0,0,0|0,0,0]=2 14856 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,2,0,0,0,0|0,0,0]=2 14857 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,2,0,0,0,0|1,0,1]=4 14858 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,2,0,0,0,0|1,0,1]=4 14859 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,2,0,0,0,0|1,0,1]=4 14860 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|1,0,0]=3 14861 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|1,0,0]=3 14862 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|1,0,0]=3 14863 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,2,0,0,0,0|2,0,0]=4 14864 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,2,0,0,0,0|1,0,0]=3 14865 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,2,0,0,0,0|1,0,0]=3 14866 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,2,0,0,0,0|1,0,0]=3 14867 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,2,0,0,0,0|1,0,0]=3 14868 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,2,0,0,0,0|2,0,0]=4 14869 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,2,0,0,0,0|1,0,0]=3 14870 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,2,0,0,0,0|1,0,0]=3 14871 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,2,0,0,0,0|2,0,0]=4 14872 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,2,0,0,0,0|2,0,0]=4 14873 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|1,0,0]=3 14874 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|1,0,0]=3 14875 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|1,0,0]=3 14876 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,2,0,0,0,0|1,0,0]=3 14877 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,2,0,0,0,0|1,0,0]=3 14878 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,2,0,0,0,0|1,0,0]=3 14879 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,2,0,0,0,0|1,0,0]=3 14880 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,2,0,0,0,0|2,0,0]=4 14881 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|1,0,0]=3 14882 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|1,0,0]=3 14883 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,2,0,0,0,0|1,0,0]=3 14884 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,2,0,0,0,0|1,0,0]=3 14885 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,2,0,0,0,0|2,0,0]=4 14886 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,2,0,0,0,0|2,0,0]=4 14887 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,2,0,0,0,0|2,0,0]=4 14888 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,2,0,0,0,0|1,0,1]=4 14889 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,2,0,0,0,0|1,0,1]=4 14890 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,2,0,0,0,0|0,0,0]=2 14891 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,2,0,0,0,0|0,0,0]=2 14892 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,2,0,0,0,0|1,0,1]=4 14893 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,2,0,0,0,0|1,0,1]=4 14894 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|1,0,0]=3 14895 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|1,0,0]=3 14896 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,2,0,0,0,0|2,0,0]=4 14897 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,2,0,0,0,0|1,0,0]=3 14898 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,2,0,0,0,0|1,0,0]=3 14899 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,2,0,0,0,0|1,0,0]=3 14900 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|1,0,0]=3 14901 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,2,0,0,0,0|1,0,0]=3 14902 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,2,0,0,0,0|1,0,0]=3 14903 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,2,0,0,0,0|2,0,0]=4 14904 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,2,0,0,0,0|2,0,0]=4 14905 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,2,0,0,0,0|2,0,0]=4 14906 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,2,0,0,0,0|1,0,1]=4 14907 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,2,0,0,0,0|1,0,1]=4 14908 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,2,0,0,0,0|1,0,1]=4 14909 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,2,0,0,0,0|1,0,0]=3 14910 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,2,0,0,0,0|1,0,0]=3 14911 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|1,0,0]=3 14912 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,2,0,0,0,0|2,0,0]=4 14913 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,2,0,0,0,0|1,0,1]=4 14914 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|1,0,0]=3 14915 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,2,0,0,0,0|1,0,0]=3 14916 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,2,0,0,0,0|1,0,0]=3 14917 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,2,0,0,0,0|2,0,0]=4 14918 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,2,0,0,0,0|2,0,0]=4 14919 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|1,0,0]=3 14920 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|1,0,0]=3 14921 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|1,0,0]=3 14922 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,2,0,0,0,0|1,0,0]=3 14923 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,2,0,0,0,0|1,0,0]=3 14924 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,2,0,0,0,0|1,0,0]=3 14925 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,2,0,0,0,0|1,0,0]=3 14926 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,2,0,0,0,0|2,0,0]=4 14927 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|1,0,0]=3 14928 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|1,0,0]=3 14929 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,2,0,0,0,0|1,0,0]=3 14930 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,2,0,0,0,0|1,0,0]=3 14931 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,2,0,0,0,0|2,0,0]=4 14932 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,2,0,0,0,0|2,0,0]=4 14933 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|1,0,0]=3 14934 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,2,0,0,0,0|1,0,0]=3 14935 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,2,0,0,0,0|1,0,0]=3 14936 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,2,0,0,0,0|2,0,0]=4 14937 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,2,0,0,0,0|2,0,0]=4 14938 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,2,0,0,0,0|2,0,0]=4 14939 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,2,0,0,0,0|2,0,0]=4 14940 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,2,0,0,0,0|2,0,0]=4 14941 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,2,0,0,0,0|2,0,0]=4 14942 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,2,0,0,0,0|2,0,0]=4 14943 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|1,0,0]=3 14944 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|1,0,0]=3 14945 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|1,0,0]=3 14946 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|1,0,0]=3 14947 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,2,0,0,0,0|1,0,0]=3 14948 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,2,0,0,0,0|1,0,0]=3 14949 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,2,0,0,0,0|2,0,0]=4 14950 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,2,0,0,0,0|2,0,0]=4 14951 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,2,0,0,0,0|2,0,0]=4 14952 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,2,0,0,0,0|2,0,0]=4 14953 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,2,0,0,0,0|2,0,0]=4 14954 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,2,0,0,0,0|2,0,0]=4 14955 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,2,0,0,0,0|2,0,0]=4 14956 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,2,0,0,0,0|2,0,0]=4 14957 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,2,0,0,0,0|2,0,0]=4 14958 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,2,0,0,0,0|2,0,0]=4 14959 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,2,0,0,0,0|2,0,0]=4 14960 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,2,0,0,0,0|2,0,0]=4 14961 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,2,0,0,0,0|2,0,0]=4 14962 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,2,0,0,0,0|2,0,0]=4 14963 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,2,0,0,0,0|2,0,0]=4 14964 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|1,0,0]=3 14965 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|1,0,0]=3 14966 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,2,0,0,0,0|1,0,0]=3 14967 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,2,0,0,0,0|1,0,0]=3 14968 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,2,0,0,0,0|2,0,0]=4 14969 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,2,0,0,0,0|2,0,0]=4 14970 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,2,0,0,0,0|2,0,0]=4 14971 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,2,0,0,0,0|2,0,0]=4 14972 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,2,0,0,0,0|2,0,0]=4 14973 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,2,0,0,0,0|2,0,0]=4 14974 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,2,0,0,0,0|2,0,0]=4 14975 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,2,0,0,0,0|2,0,0]=4 14976 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,2,0,0,0,0|2,0,0]=4 14977 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|1,0,0]=3 14978 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|1,0,0]=3 14979 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,2,0,0,0,0|2,0,0]=4 14980 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,2,0,0,0,0|2,0,0]=4 14981 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,2,0,0,0,0|2,0,0]=4 14982 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,2,0,0,0,0|2,0,0]=4 14983 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,2,0,0,0,0|2,0,0]=4 14984 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,2,0,0,0,0|2,0,0]=4 14985 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,2,0,0,0,0|1,0,1]=4 14986 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,2,0,0,0,0|1,0,1]=4 14987 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|1,0,0]=3 14988 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|1,0,0]=3 14989 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|1,0,0]=3 14990 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,2,0,0,0,0|1,0,0]=3 14991 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,2,0,0,0,0|1,0,0]=3 14992 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,2,0,0,0,0|2,0,0]=4 14993 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,2,0,0,0,0|1,0,0]=3 14994 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,2,0,0,0,0|2,0,0]=4 14995 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,2,0,0,0,0|2,0,0]=4 14996 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,2,0,0,0,0|2,0,0]=4 14997 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,2,0,0,0,0|2,0,0]=4 14998 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,2,0,0,0,0|2,0,0]=4 14999 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|1,0,0]=3 15000 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|1,0,0]=3 15001 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|1,0,0]=3 15002 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|1,0,0]=3 15003 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,2,0,0,0,0|1,0,0]=3 15004 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,2,0,0,0,0|1,0,0]=3 15005 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,2,0,0,0,0|2,0,0]=4 15006 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,2,0,0,0,0|2,0,0]=4 15007 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,2,0,0,0,0|2,0,0]=4 15008 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,2,0,0,0,0|2,0,0]=4 15009 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,2,0,0,0,0|2,0,0]=4 15010 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,2,0,0,0,0|2,0,0]=4 15011 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,2,0,0,0,0|2,0,0]=4 15012 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,2,0,0,0,0|2,0,0]=4 15013 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,2,0,0,0,0|2,0,0]=4 15014 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,2,0,0,0,0|2,0,0]=4 15015 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,2,0,0,0,0|2,0,0]=4 15016 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,2,0,0,0,0|2,0,0]=4 15017 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|1,0,0]=3 15018 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|1,0,0]=3 15019 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,2,0,0,0,0|1,0,0]=3 15020 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,2,0,0,0,0|1,0,0]=3 15021 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,2,0,0,0,0|2,0,0]=4 15022 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,2,0,0,0,0|2,0,0]=4 15023 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,2,0,0,0,0|2,0,0]=4 15024 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,2,0,0,0,0|2,0,0]=4 15025 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,2,0,0,0,0|2,0,0]=4 15026 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,2,0,0,0,0|2,0,0]=4 15027 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,2,0,0,0,0|2,0,0]=4 15028 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,2,0,0,0,0|2,0,0]=4 15029 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,2,0,0,0,0|0,0,2]=4 15030 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,2,0,0,0,0|0,0,2]=4 15031 B11R0.148 CN(C)CCCSCCCC=O 62a_200011292268_100000757444 [0,2,0,0,0,0|1,0,0]=3 15032 B11R0.148 CN(C)CCSCCCCC=O 62a_100000139335_100000755713 [0,2,0,0,0,0|1,0,0]=3 15033 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,2,0,0,0,0|1,0,0]=3 15034 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,2,0,0,0,0|1,0,0]=3 15035 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,2,0,0,0,0|1,0,0]=3 15036 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,2,0,0,0,0|1,0,0]=3 15037 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,2,0,0,0,0|2,0,0]=4 15038 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|2,0,0]=4 15039 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|2,0,0]=4 15040 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,2,0,0,0,0|2,0,0]=4 15041 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,2,0,0,0,0|1,0,0]=3 15042 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,2,0,0,0,0|1,0,0]=3 15043 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,2,0,0,0,0|2,0,0]=4 15044 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,2,0,0,0,0|2,0,0]=4 15045 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|2,0,0]=4 15046 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,2,0,0,0,0|2,0,0]=4 15047 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,2,0,0,0,0|2,0,0]=4 15048 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,2,0,0,0,0|2,0,0]=4 15049 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,2,0,0,0,0|2,0,0]=4 15050 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,2,0,0,0,0|0,0,2]=4 15051 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,2,0,0,0,0|0,0,2]=4 15052 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,2,0,0,0,0|2,0,0]=4 15053 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,2,0,0,0,0|2,0,0]=4 15054 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,2,0,0,0,0|2,0,0]=4 15055 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,2,0,0,0,0|2,0,0]=4 15056 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,2,0,0,0,0|2,0,0]=4 15057 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,2,0,0,0,0|2,0,0]=4 15058 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,2,0,0,0,0|2,0,0]=4 15059 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,2,0,0,0,0|1,0,0]=3 15060 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,2,0,0,0,0|1,0,0]=3 15061 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,2,0,0,0,0|1,0,0]=3 15062 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,2,0,0,0,0|2,0,0]=4 15063 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,2,0,0,0,0|2,0,0]=4 15064 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,2,0,0,0,0|2,0,0]=4 15065 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|2,0,0]=4 15066 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|2,0,0]=4 15067 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|2,0,0]=4 15068 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|2,0,0]=4 15069 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,2,0,0,0,0|2,0,0]=4 15070 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,2,0,0,0,0|2,0,0]=4 15071 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,2,0,0,0,0|2,0,0]=4 15072 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|1,0,0]=3 15073 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|1,0,0]=3 15074 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,2,0,0,0,0|1,0,0]=3 15075 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,2,0,0,0,0|1,0,0]=3 15076 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,2,0,0,0,0|1,0,0]=3 15077 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,2,0,0,0,0|2,0,0]=4 15078 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,2,0,0,0,0|2,0,0]=4 15079 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,2,0,0,0,0|2,0,0]=4 15080 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,2,0,0,0,0|2,0,0]=4 15081 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,2,0,0,0,0|2,0,0]=4 15082 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,2,0,0,0,0|2,0,0]=4 15083 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|2,0,0]=4 15084 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|1,0,0]=3 15085 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|1,0,0]=3 15086 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,2,0,0,0,0|1,0,0]=3 15087 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,2,0,0,0,0|1,0,0]=3 15088 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,2,0,0,0,0|2,0,0]=4 15089 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,2,0,0,0,0|2,0,0]=4 15090 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,2,0,0,0,0|2,0,0]=4 15091 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,2,0,0,0,0|2,0,0]=4 15092 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,2,0,0,0,0|2,0,0]=4 15093 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,2,0,0,0,0|2,0,0]=4 15094 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|1,0,0]=3 15095 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,2,0,0,0,0|1,0,0]=3 15096 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,2,0,0,0,0|1,0,0]=3 15097 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,2,0,0,0,0|2,0,0]=4 15098 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,2,0,0,0,0|2,0,0]=4 15099 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,2,0,0,0,0|2,0,0]=4 15100 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,2,0,0,0,0|2,0,0]=4 15101 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,2,0,0,0,0|2,0,0]=4 15102 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,2,0,0,0,0|2,0,0]=4 15103 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,2,0,0,0,0|2,0,0]=4 15104 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,2,0,0,0,0|2,0,0]=4 15105 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,2,0,0,0,0|2,0,0]=4 15106 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|1,0,0]=3 15107 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|1,0,0]=3 15108 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|1,0,0]=3 15109 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,2,0,0,0,0|1,0,0]=3 15110 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,2,0,0,0,0|2,0,0]=4 15111 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,2,0,0,0,0|2,0,0]=4 15112 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,2,0,0,0,0|2,0,0]=4 15113 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,2,0,0,0,0|2,0,0]=4 15114 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,2,0,0,0,0|2,0,0]=4 15115 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,2,0,0,0,0|2,0,0]=4 15116 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,2,0,0,0,0|2,0,0]=4 15117 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|2,0,0]=4 15118 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,2,0,0,0,0|2,0,0]=4 15119 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,2,0,0,0,0|2,0,0]=4 15120 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|1,0,0]=3 15121 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|1,0,0]=3 15122 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,2,0,0,0,0|1,0,0]=3 15123 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,2,0,0,0,0|1,0,0]=3 15124 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,2,0,0,0,0|2,0,0]=4 15125 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,2,0,0,0,0|2,0,0]=4 15126 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,2,0,0,0,0|2,0,0]=4 15127 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,2,0,0,0,0|2,0,0]=4 15128 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,2,0,0,0,0|2,0,0]=4 15129 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,2,0,0,0,0|2,0,0]=4 15130 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,2,0,0,0,0|2,0,0]=4 15131 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,2,0,0,0,0|2,0,0]=4 15132 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,2,0,0,0,0|2,0,0]=4 15133 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,2,0,0,0,0|2,0,0]=4 15134 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,2,0,0,0,0|2,0,0]=4 15135 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,2,0,0,0,0|2,0,0]=4 15136 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,2,0,0,0,0|1,0,0]=3 15137 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,2,0,0,0,0|2,0,0]=4 15138 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,2,0,0,0,0|2,0,0]=4 15139 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,2,0,0,0,0|2,0,0]=4 15140 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,2,0,0,0,0|2,0,0]=4 15141 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,2,0,0,0,0|2,0,0]=4 15142 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|1,0,0]=3 15143 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,2,0,0,0,0|1,0,0]=3 15144 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,2,0,0,0,0|1,0,0]=3 15145 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,2,0,0,0,0|2,0,0]=4 15146 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,2,0,0,0,0|2,0,0]=4 15147 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,2,0,0,0,0|2,0,0]=4 15148 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,2,0,0,0,0|2,0,0]=4 15149 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,2,0,0,0,0|2,0,0]=4 15150 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,2,0,0,0,0|2,0,0]=4 15151 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,2,0,0,0,0|2,0,0]=4 15152 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,2,0,0,0,0|2,0,0]=4 15153 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|2,0,0]=4 15154 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,2,0,0,0,0|2,0,0]=4 15155 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,2,0,0,0,0|2,0,0]=4 15156 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,2,0,0,0,0|2,0,0]=4 15157 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,2,0,0,0,0|2,0,0]=4 15158 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,2,0,0,0,0|2,0,0]=4 15159 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,2,0,0,0,0|2,0,0]=4 15160 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|2,0,0]=4 15161 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|2,0,0]=4 15162 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,2,0,0,0,0|2,0,0]=4 15163 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,2,0,0,0,0|2,0,0]=4 15164 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,2,0,0,0,0|2,0,0]=4 15165 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|2,0,0]=4 15166 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,2,0,0,0,0|2,0,0]=4 15167 B11R0.148 COCCOCCSCC(=O)N 62a_100000695917_100000747473 [0,2,0,0,0,0|2,0,0]=4 15168 B11R0.148 COCCOCCSCC(=O)N 62a_100000747473_100000695917 [0,2,0,0,0,0|2,0,0]=4 15169 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100000695917_100020667443 [0,2,0,0,0,0|2,0,0]=4 15170 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100020667443_100000695917 [0,2,0,0,0,0|2,0,0]=4 15171 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,2,0,0,0,0|2,0,0]=4 15172 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,2,0,0,0,0|2,0,0]=4 15173 B11R0.148 COCCOCSCCC(=O)N 62a_100000231047_100000744528 [0,2,0,0,0,0|2,0,0]=4 15174 B11R0.148 COCCOCSCCC(=O)N 62a_100000744528_100000231047 [0,2,0,0,0,0|2,0,0]=4 15175 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|1,0,0]=3 15176 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|1,0,0]=3 15177 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,2,0,0,0,0|2,0,0]=4 15178 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,2,0,0,0,0|2,0,0]=4 15179 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,2,0,0,0,0|2,0,0]=4 15180 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,2,0,0,0,0|2,0,0]=4 15181 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,2,0,0,0,0|2,0,0]=4 15182 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,2,0,0,0,0|2,0,0]=4 15183 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,2,0,0,0,0|2,0,0]=4 15184 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,2,0,0,0,0|2,0,0]=4 15185 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,2,0,0,0,0|2,0,0]=4 15186 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,2,0,0,0,0|2,0,0]=4 15187 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,2,0,0,0,0|1,0,0]=3 15188 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,2,0,0,0,0|1,0,0]=3 15189 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,2,0,0,0,0|2,0,0]=4 15190 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,2,0,0,0,0|2,0,0]=4 15191 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,2,0,0,0,0|2,0,0]=4 15192 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,2,0,0,0,0|2,0,0]=4 15193 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,2,0,0,0,0|2,0,0]=4 15194 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,2,0,0,0,0|2,0,0]=4 15195 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [0,2,0,0,0,0|1,0,0]=3 15196 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,2,0,0,0,0|2,0,0]=4 15197 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,2,0,0,0,0|2,0,0]=4 15198 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,2,0,0,0,0|1,0,0]=3 15199 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,2,0,0,0,0|1,0,0]=3 15200 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,2,0,0,0,0|1,0,0]=3 15201 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,2,0,0,0,0|2,0,0]=4 15202 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,2,0,0,0,0|2,0,0]=4 15203 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,2,0,0,0,0|2,0,0]=4 15204 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,2,0,0,0,0|2,0,0]=4 15205 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|2,0,0]=4 15206 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,2,0,0,0,0|2,0,0]=4 15207 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,2,0,0,0,0|2,0,0]=4 15208 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,2,0,0,0,0|2,0,0]=4 15209 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,2,0,0,0,0|2,0,0]=4 15210 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,2,0,0,0,0|1,0,0]=3 15211 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,2,0,0,0,0|1,0,0]=3 15212 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,2,0,0,0,0|1,0,0]=3 15213 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,2,0,0,0,0|1,0,0]=3 15214 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,2,0,0,0,0|2,0,0]=4 15215 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,2,0,0,0,0|2,0,0]=4 15216 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,2,0,0,0,0|2,0,0]=4 15217 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,2,0,0,0,0|2,0,0]=4 15218 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,2,0,0,0,0|2,0,0]=4 15219 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,2,0,0,0,0|2,0,0]=4 15220 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|2,0,0]=4 15221 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|2,0,0]=4 15222 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,2,0,0,0,0|2,0,0]=4 15223 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,2,0,0,0,0|2,0,0]=4 15224 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,2,0,0,0,0|1,0,0]=3 15225 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,2,0,0,0,0|2,0,0]=4 15226 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,2,0,0,0,0|2,0,0]=4 15227 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,2,0,0,0,0|2,0,0]=4 15228 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,2,0,0,0,0|2,0,0]=4 15229 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,2,0,0,0,0|2,0,0]=4 15230 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|1,0,0]=3 15231 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|1,0,0]=3 15232 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,2,0,0,0,0|1,0,0]=3 15233 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,2,0,0,0,0|1,0,0]=3 15234 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,2,0,0,0,0|2,0,0]=4 15235 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,2,0,0,0,0|2,0,0]=4 15236 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,2,0,0,0,0|2,0,0]=4 15237 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,2,0,0,0,0|2,0,0]=4 15238 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,2,0,0,0,0|2,0,0]=4 15239 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,2,0,0,0,0|2,0,0]=4 15240 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,2,0,0,0,0|2,0,0]=4 15241 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|2,0,0]=4 15242 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|2,0,0]=4 15243 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,2,0,0,0,0|2,0,0]=4 15244 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,2,0,0,0,0|2,0,0]=4 15245 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,2,0,0,0,0|2,0,0]=4 15246 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,2,0,0,0,0|2,0,0]=4 15247 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|1,0,0]=3 15248 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|1,0,0]=3 15249 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,2,0,0,0,0|2,0,0]=4 15250 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,2,0,0,0,0|2,0,0]=4 15251 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,2,0,0,0,0|2,0,0]=4 15252 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,2,0,0,0,0|2,0,0]=4 15253 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,2,0,0,0,0|2,0,0]=4 15254 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,2,0,0,0,0|2,0,0]=4 15255 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,2,0,0,0,0|2,0,0]=4 15256 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,2,0,0,0,0|2,0,0]=4 15257 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,2,0,0,0,0|2,0,0]=4 15258 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,2,0,0,0,0|2,0,0]=4 15259 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,2,0,0,0,0|2,0,0]=4 15260 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,2,0,0,0,0|2,0,0]=4 15261 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,2,0,0,0,0|1,0,0]=3 15262 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,2,0,0,0,0|2,0,0]=4 15263 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,2,0,0,0,0|2,0,0]=4 15264 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,2,0,0,0,0|1,0,0]=3 15265 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,2,0,0,0,0|1,0,0]=3 15266 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,2,0,0,0,0|2,0,0]=4 15267 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,2,0,0,0,0|2,0,0]=4 15268 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,2,0,0,0,0|2,0,0]=4 15269 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,2,0,0,0,0|2,0,0]=4 15270 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,2,0,0,0,0|2,0,0]=4 15271 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,2,0,0,0,0|2,0,0]=4 15272 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,2,0,0,0,0|1,0,1]=4 15273 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|0,0,2]=4 15274 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|1,0,1]=4 15275 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|0,0,2]=4 15276 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,2,0,0,0,0|1,0,1]=4 15277 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|0,0,2]=4 15278 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|0,0,2]=4 15279 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|0,0,2]=4 15280 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|1,0,1]=4 15281 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|1,0,1]=4 15282 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 15283 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 15284 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|1,0,1]=4 15285 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|1,0,1]=4 15286 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|1,0,1]=4 15287 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009813376_100009817552 [0,2,0,0,0,0|1,0,1]=4 15288 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009817552_100009813376 [0,2,0,0,0,0|1,0,1]=4 15289 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,2,0,0,0,0|0,0,0]=2 15290 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,2,0,0,0,0|0,0,0]=2 15291 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,2,0,0,0,0|1,0,1]=4 15292 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,2,0,0,0,0|1,0,1]=4 15293 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|0,0,2]=4 15294 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|0,0,2]=4 15295 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,2,0,0,0,0|1,0,1]=4 15296 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,2,0,0,0,0|1,0,1]=4 15297 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,2,0,0,0,0|1,0,1]=4 15298 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,2,0,0,0,0|1,0,1]=4 15299 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,2,0,0,0,0|1,0,1]=4 15300 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,2,0,0,0,0|1,0,1]=4 15301 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,2,0,0,0,0|1,0,1]=4 15302 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,2,0,0,0,0|1,0,1]=4 15303 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,2,0,0,0,0|1,0,1]=4 15304 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,2,0,0,0,0|1,0,1]=4 15305 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,2,0,0,0,0|1,0,1]=4 15306 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,2,0,0,0,0|1,0,1]=4 15307 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,2,0,0,0,0|1,0,1]=4 15308 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,2,0,0,0,0|1,0,1]=4 15309 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,2,0,0,0,0|1,0,1]=4 15310 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,2,0,0,0,0|1,0,1]=4 15311 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,2,0,0,0,0|1,0,0]=3 15312 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,2,0,0,0,0|1,0,0]=3 15313 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,2,0,0,0,0|1,0,0]=3 15314 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,2,0,0,0,0|1,0,1]=4 15315 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,2,0,0,0,0|1,0,1]=4 15316 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,2,0,0,0,0|1,0,0]=3 15317 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,2,0,0,0,0|1,0,0]=3 15318 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,2,0,0,0,0|1,0,0]=3 15319 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,2,0,0,0,0|1,0,0]=3 15320 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,2,0,0,0,0|1,0,0]=3 15321 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,2,0,0,0,0|1,0,1]=4 15322 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,2,0,0,0,0|1,0,1]=4 15323 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,2,0,0,0,0|1,0,0]=3 15324 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,2,0,0,0,0|1,0,0]=3 15325 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,2,0,0,0,0|1,0,0]=3 15326 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,2,0,0,0,0|1,0,0]=3 15327 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,2,0,0,0,0|1,0,0]=3 15328 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,2,0,0,0,0|1,0,0]=3 15329 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,2,0,0,0,0|1,0,0]=3 15330 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,2,0,0,0,0|1,0,0]=3 15331 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,2,0,0,0,0|1,0,0]=3 15332 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,2,0,0,0,0|1,0,0]=3 15333 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,2,0,0,0,0|1,0,0]=3 15334 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,2,0,0,0,0|1,0,0]=3 15335 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,2,0,0,0,0|1,0,0]=3 15336 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,2,0,0,0,0|1,0,0]=3 15337 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,2,0,0,0,0|1,0,0]=3 15338 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,2,0,0,0,0|1,0,0]=3 15339 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,2,0,0,0,0|1,0,0]=3 15340 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,2,0,0,0,0|1,0,0]=3 15341 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,2,0,0,0,0|1,0,0]=3 15342 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,2,0,0,0,0|1,0,1]=4 15343 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,2,0,0,0,0|1,0,1]=4 15344 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,2,0,0,0,0|1,0,0]=3 15345 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,2,0,0,0,0|1,0,0]=3 15346 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,2,0,0,0,0|1,0,0]=3 15347 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,2,0,0,0,0|1,0,0]=3 15348 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,2,0,0,0,0|1,0,0]=3 15349 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,2,0,0,0,0|1,0,0]=3 15350 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,2,0,0,0,0|2,0,0]=4 15351 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,2,0,0,0,0|2,0,0]=4 15352 B11R0.148 NC(=O)CCNCCSCCO 2230a_100011219999_100000744528 [0,2,0,0,0,0|2,0,0]=4 15353 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,2,0,0,0,0|1,0,1]=4 15354 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,2,0,0,0,0|1,0,0]=3 15355 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,2,0,0,0,0|1,0,0]=3 15356 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,2,0,0,0,0|1,0,0]=3 15357 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,2,0,0,0,0|1,0,0]=3 15358 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,2,0,0,0,0|1,0,0]=3 15359 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,2,0,0,0,0|1,0,0]=3 15360 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,2,0,0,0,0|1,0,0]=3 15361 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,2,0,0,0,0|1,0,0]=3 15362 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,2,0,0,0,0|1,0,0]=3 15363 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,2,0,0,0,0|1,0,0]=3 15364 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,2,0,0,0,0|2,0,0]=4 15365 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,2,0,0,0,0|2,0,0]=4 15366 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,2,0,0,0,0|2,0,0]=4 15367 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,2,0,0,0,0|2,0,0]=4 15368 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,2,0,0,0,0|2,0,0]=4 15369 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,2,0,0,0,0|2,0,0]=4 15370 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,2,0,0,0,0|2,0,0]=4 15371 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,2,0,0,0,0|2,0,0]=4 15372 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,2,0,0,0,0|2,0,0]=4 15373 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,2,0,0,0,0|2,0,0]=4 15374 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,2,0,0,0,0|1,0,1]=4 15375 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,2,0,0,0,0|1,0,1]=4 15376 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,2,0,0,0,0|1,0,0]=3 15377 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,2,0,0,0,0|1,0,0]=3 15378 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,2,0,0,0,0|1,0,0]=3 15379 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,2,0,0,0,0|1,0,0]=3 15380 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,2,0,0,0,0|2,0,0]=4 15381 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,2,0,0,0,0|2,0,0]=4 15382 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,2,0,0,0,0|1,0,1]=4 15383 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,2,0,0,0,0|1,0,0]=3 15384 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,2,0,0,0,0|1,0,0]=3 15385 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,2,0,0,0,0|1,0,0]=3 15386 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,2,0,0,0,0|1,0,0]=3 15387 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,2,0,0,0,0|1,0,0]=3 15388 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,2,0,0,0,0|1,0,0]=3 15389 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,2,0,0,0,0|1,0,0]=3 15390 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,2,0,0,0,0|1,0,0]=3 15391 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,2,0,0,0,0|1,0,0]=3 15392 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,2,0,0,0,0|1,0,0]=3 15393 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,2,0,0,0,0|2,0,0]=4 15394 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,2,0,0,0,0|2,0,0]=4 15395 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,2,0,0,0,0|2,0,0]=4 15396 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,2,0,0,0,0|2,0,0]=4 15397 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,2,0,0,0,0|2,0,0]=4 15398 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,2,0,0,0,0|2,0,0]=4 15399 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,2,0,0,0,0|2,0,0]=4 15400 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,2,0,0,0,0|2,0,0]=4 15401 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,2,0,0,0,0|2,0,0]=4 15402 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,2,0,0,0,0|1,0,1]=4 15403 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,2,0,0,0,0|1,0,1]=4 15404 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,2,0,0,0,0|1,0,0]=3 15405 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,2,0,0,0,0|1,0,0]=3 15406 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,2,0,0,0,0|1,0,0]=3 15407 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,2,0,0,0,0|1,0,0]=3 15408 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,2,0,0,0,0|2,0,0]=4 15409 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,2,0,0,0,0|2,0,0]=4 15410 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,2,0,0,0,0|2,0,0]=4 15411 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,2,0,0,0,0|2,0,0]=4 15412 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,2,0,0,0,0|2,0,0]=4 15413 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,2,0,0,0,0|2,0,0]=4 15414 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,2,0,0,0,0|2,0,0]=4 15415 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,2,0,0,0,0|2,0,0]=4 15416 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,2,0,0,0,0|2,0,0]=4 15417 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,2,0,0,0,0|2,0,0]=4 15418 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,2,0,0,0,0|2,0,0]=4 15419 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,2,0,0,0,0|2,0,0]=4 15420 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,2,0,0,0,0|2,0,0]=4 15421 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 15422 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 15423 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,2,0,0,0,0|2,0,0]=4 15424 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,2,0,0,0,0|2,0,0]=4 15425 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,2,0,0,0,0|2,0,0]=4 15426 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,2,0,0,0,0|2,0,0]=4 15427 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,2,0,0,0,0|2,0,0]=4 15428 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,2,0,0,0,0|2,0,0]=4 15429 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,2,0,0,0,0|2,0,0]=4 15430 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 15431 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,2,0,0,0,0|2,0,0]=4 15432 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,2,0,0,0,0|1,0,0]=3 15433 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,2,0,0,0,0|1,0,0]=3 15434 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,2,0,0,0,0|2,0,0]=4 15435 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,2,0,0,0,0|1,0,0]=3 15436 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,2,0,0,0,0|1,0,0]=3 15437 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,2,0,0,0,0|2,0,0]=4 15438 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,2,0,0,0,0|2,0,0]=4 15439 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,2,0,0,0,0|1,0,0]=3 15440 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,2,0,0,0,0|2,0,0]=4 15441 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,2,0,0,0,0|1,0,0]=3 15442 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,2,0,0,0,0|1,0,0]=3 15443 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,2,0,0,0,0|2,0,0]=4 15444 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,2,0,0,0,0|2,0,0]=4 15445 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,2,0,0,0,0|2,0,0]=4 15446 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,2,0,0,0,0|2,0,0]=4 15447 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,2,0,0,0,0|1,0,0]=3 15448 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,2,0,0,0,0|1,0,0]=3 15449 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,2,0,0,0,0|1,0,0]=3 15450 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,2,0,0,0,0|1,0,0]=3 15451 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,2,0,0,0,0|1,0,0]=3 15452 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,2,0,0,0,0|1,0,0]=3 15453 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,2,0,0,0,0|1,0,0]=3 15454 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,2,0,0,0,0|1,0,0]=3 15455 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,2,0,0,0,0|1,0,0]=3 15456 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,2,0,0,0,0|1,0,0]=3 15457 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,2,0,0,0,0|1,0,1]=4 15458 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,2,0,0,0,0|1,0,1]=4 15459 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,2,0,0,0,0|1,0,1]=4 15460 B11R0.148 O=CCCCCCSCC(F)F 62a_100000139337_100011934356 [0,2,0,0,0,0|1,0,0]=3 15461 B11R0.148 O=CCCCCCSCC(F)F 62a_100011934356_100000139337 [0,2,0,0,0,0|1,0,0]=3 15462 B11R0.148 O=CCCCCCSC[N+](=O)[O-] 62a_100000139337_100000761209 [0,2,0,0,0,0|2,0,0]=4 15463 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,2,0,0,0,0|1,0,1]=4 15464 B11R0.148 O=CCSCCCCCB(O)O 62a_200009817188_200015260668 [0,2,0,0,0,0|2,0,0]=4 15465 B11R0.148 O=CCSCCCCCB(O)O 62a_200015260668_200009817188 [0,2,0,0,0,0|2,0,0]=4 15466 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,2,0,0,0,0|2,0,0]=4 15467 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,2,0,0,0,0|2,0,0]=4 15468 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,2,0,0,0,0|2,0,0]=4 15469 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,2,0,0,0,0|2,0,0]=4 15470 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,2,0,0,0,0|2,0,0]=4 15471 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,2,0,0,0,0|2,0,0]=4 15472 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,2,0,0,0,0|2,0,0]=4 15473 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,2,0,0,0,0|2,0,0]=4 15474 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,2,0,0,0,0|2,0,0]=4 15475 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,2,0,0,0,0|2,0,0]=4 15476 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,2,0,0,0,0|2,0,0]=4 15477 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,2,0,0,0,0|2,0,0]=4 15478 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,2,0,0,0,0|2,0,0]=4 15479 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,2,0,0,0,0|2,0,0]=4 15480 B11R0.159 C=CCCCCCNC(C)(C)C 2230a_100000715429_100000700193 [0,2,0,0,0,0|2,0,0]=4 15481 B11R0.159 C=CCCCCCOC(C)(C)C 34a_100011216702_100000210625 [0,2,0,0,0,0|2,0,0]=4 15482 B11R0.159 C=CCCCCCOC(C)(C)C 34a_100015890283_100000700193 [0,2,0,0,0,0|2,0,0]=4 15483 B11R0.159 C=CCCCCCOC(C)(C)C 7a_100015890283_100000700193 [0,2,0,0,0,0|2,0,0]=4 15484 B11R0.159 C=CCCCCCSC(C)(C)C 62a_100000211941_100000700193 [0,2,0,0,0,0|2,0,0]=4 15485 B11R0.159 C=CCCCCCSC(C)(C)C 62a_100000700193_100000211941 [0,2,0,0,0,0|2,0,0]=4 15486 B11R0.159 C=CCCCCNCC(C)(C)C 2230a_100000743828_100011215482 [0,2,0,0,0,0|2,0,0]=4 15487 B11R0.159 C=CCCCCNCC(C)(C)C 270004a_100000703577_100011204126 [0,2,0,0,0,0|2,0,0]=4 15488 B11R0.159 C=CCCCCNCC(C)(C)C 34a_100000703577_100011219605 [0,2,0,0,0,0|2,0,0]=4 15489 B11R0.159 C=CCCCCNCC(C)(C)F 2230a_100020643315_100011215482 [0,2,0,0,0,0|2,0,0]=4 15490 B11R0.159 C=CCCCCNCC(C)(C)F 34a_100000703577_100011997219 [0,2,0,0,0,0|2,0,0]=4 15491 B11R0.159 C=CCCCCNCC(C)(C)O 2230a_100000751335_100011215482 [0,2,0,0,0,0|2,0,0]=4 15492 B11R0.159 C=CCCCCNCC(C)(C)O 34a_100000703577_100000764493 [0,2,0,0,0,0|2,0,0]=4 15493 B11R0.159 C=CCCCCOCC(C)(C)C 34a_100000766645_100011219605 [0,2,0,0,0,0|2,0,0]=4 15494 B11R0.159 C=CCCCCOCC(C)(C)F 34a_100000716592_100011215482 [0,2,0,0,0,0|2,0,0]=4 15495 B11R0.159 C=CCCCCOCC(C)(C)F 34a_100000766645_100011997219 [0,2,0,0,0,0|2,0,0]=4 15496 B11R0.159 C=CCCCCOCC(C)(C)O 34a_100000766645_100000764493 [0,2,0,0,0,0|2,0,0]=4 15497 B11R0.159 C=CCCCCOCC(C)(C)O 7a_100000766645_100000764493 [0,2,0,0,0,0|2,0,0]=4 15498 B11R0.159 C=CCCCCOCC(C)(F)F 34a_100000068830_100011215482 [0,2,0,0,0,0|2,0,0]=4 15499 B11R0.159 C=CCCCCSCC(C)(C)C 62a_100011215482_100011219605 [0,2,0,0,0,0|2,0,0]=4 15500 B11R0.159 C=CCCCCSCC(C)(C)C 62a_100011219605_100011215482 [0,2,0,0,0,0|2,0,0]=4 15501 B11R0.159 C=CCCCCSCC(C)(C)F 62a_100011215482_100011997219 [0,2,0,0,0,0|2,0,0]=4 15502 B11R0.159 C=CCCCCSCC(C)(C)F 62a_100011997219_100011215482 [0,2,0,0,0,0|2,0,0]=4 15503 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100000764493_100011215482 [0,2,0,0,0,0|2,0,0]=4 15504 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100011215482_100000764493 [0,2,0,0,0,0|2,0,0]=4 15505 B11R0.159 C=CCCCNCCC(C)(C)C 2230a_100000700776_100000755188 [0,2,0,0,0,0|2,0,0]=4 15506 B11R0.159 C=CCCCNCCC(C)(C)C 2230a_100000738805_100011713584 [0,2,0,0,0,0|2,0,0]=4 15507 B11R0.159 C=CCCCNCCC(C)(C)C 34a_100000700776_100000755188 [0,2,0,0,0,0|2,0,0]=4 15508 B11R0.159 C=CCCCNCCC(C)(C)F 2230a_100016253952_100011713584 [0,2,0,0,0,0|2,0,0]=4 15509 B11R0.159 C=CCCCNCCC(C)(C)O 2230a_100000700776_100000702414 [0,2,0,0,0,0|2,0,0]=4 15510 B11R0.159 C=CCCCNCCC(C)(C)O 34a_100000700776_100000702414 [0,2,0,0,0,0|2,0,0]=4 15511 B11R0.159 C=CCCCOCCC(C)(C)C 34a_100000758997_100000755188 [0,2,0,0,0,0|2,0,0]=4 15512 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000758997_100000755188 [0,2,0,0,0,0|2,0,0]=4 15513 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000765024_100000757094 [0,2,0,0,0,0|2,0,0]=4 15514 B11R0.159 C=CCCCOCCC(C)(C)O 34a_100000758997_100000702414 [0,2,0,0,0,0|2,0,0]=4 15515 B11R0.159 C=CCCCOCCC(C)(C)O 7a_100000758997_100000702414 [0,2,0,0,0,0|2,0,0]=4 15516 B11R0.159 C=CCCCSCCC(C)(C)C 62a_100000755188_100000757094 [0,2,0,0,0,0|2,0,0]=4 15517 B11R0.159 C=CCCCSCCC(C)(C)C 62a_100011713584_100000755188 [0,2,0,0,0,0|2,0,0]=4 15518 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100000702414_100000757094 [0,2,0,0,0,0|2,0,0]=4 15519 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100011713584_100000702414 [0,2,0,0,0,0|2,0,0]=4 15520 B11R0.159 C=CCCNCCCC(C)(C)O 2230a_100015191253_100009888830 [0,2,0,0,0,0|2,0,0]=4 15521 B11R0.159 C=CCCOCCCC(C)(C)O 34a_100011205117_100009888830 [0,2,0,0,0,0|2,0,0]=4 15522 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100000754431_100009888830 [0,2,0,0,0,0|2,0,0]=4 15523 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100009888830_100000754431 [0,2,0,0,0,0|2,0,0]=4 15524 B11R0.159 CC(C)(C)CCNCCCC=O 2230a_100000738805_200011292268 [0,2,0,0,0,0|1,0,0]=3 15525 B11R0.159 CC(C)(C)CCOCCCC=O 7a_100000765024_200011292268 [0,2,0,0,0,0|1,0,0]=3 15526 B11R0.159 CC(C)(C)CCSCCCC=O 62a_100000755188_200011292268 [0,2,0,0,0,0|1,0,0]=3 15527 B11R0.159 CC(C)(C)CCSCCCC=O 62a_200011292268_100000755188 [0,2,0,0,0,0|1,0,0]=3 15528 B11R0.159 CC(C)(C)CNCCCCC=O 2230a_100000743828_100000139335 [0,2,0,0,0,0|1,0,0]=3 15529 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100000139335_100011219605 [0,2,0,0,0,0|1,0,0]=3 15530 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100011219605_100000139335 [0,2,0,0,0,0|1,0,0]=3 15531 B11R0.159 CC(C)(C)NCCCCCC=O 2230a_100000715429_100000139337 [0,2,0,0,0,0|1,0,0]=3 15532 B11R0.159 CC(C)(C)OCCCCCC=O 7a_100015890283_100000139337 [0,2,0,0,0,0|1,0,0]=3 15533 B11R0.159 CC(C)(C)OCCCNCC=O 2230a_100011250582_200015260668 [0,2,0,0,0,0|2,0,0]=4 15534 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000139337_100000211941 [0,2,0,0,0,0|1,0,0]=3 15535 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000211941_100000139337 [0,2,0,0,0,0|1,0,0]=3 15536 B11R0.159 CC(C)(F)CCNCCCC=O 2230a_100016253952_200011292268 [0,2,0,0,0,0|1,0,0]=3 15537 B11R0.159 CC(C)(F)CNCCCCC=O 2230a_100020643315_100000139335 [0,2,0,0,0,0|1,0,0]=3 15538 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100000139335_100011997219 [0,2,0,0,0,0|1,0,0]=3 15539 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100011997219_100000139335 [0,2,0,0,0,0|1,0,0]=3 15540 B11R0.159 CC(C)(O)CCSCCCC=O 62a_100000702414_200011292268 [0,2,0,0,0,0|1,0,0]=3 15541 B11R0.159 CC(C)(O)CCSCCCC=O 62a_200011292268_100000702414 [0,2,0,0,0,0|1,0,0]=3 15542 B11R0.159 CC(C)(O)CNCCCCC=O 2230a_100000751335_100000139335 [0,2,0,0,0,0|1,0,0]=3 15543 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000139335_100000764493 [0,2,0,0,0,0|1,0,0]=3 15544 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000764493_100000139335 [0,2,0,0,0,0|1,0,0]=3 15545 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,2,0,0,0,0|2,0,0]=4 15546 B11R0.159 CCCCCCOCS(=O)(=O)[O-] 34a_100000210259_100009817235 [0,2,0,0,0,0|2,0,0]=4 15547 B11R0.159 CCCCCCSCS(=O)(=O)N 62a_100000210314_100000741382 [0,2,0,0,0,0|2,0,0]=4 15548 B11R0.159 CCCCCCSCS(=O)(=O)N 62a_100000741382_100000210757 [0,2,0,0,0,0|2,0,0]=4 15549 B11R0.159 CCCCCCSCS(=O)(=O)[O-] 62a_100000210314_100009817235 [0,2,0,0,0,0|2,0,0]=4 15550 B11R0.159 CCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210757 [0,2,0,0,0,0|2,0,0]=4 15551 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [0,2,0,0,0,0|2,0,0]=4 15552 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [0,2,0,0,0,0|2,0,0]=4 15553 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [0,2,0,0,0,0|2,0,0]=4 15554 B11R0.159 CCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210326 [0,2,0,0,0,0|2,0,0]=4 15555 B11R0.159 CCCCCNCCS(=O)(=O)N 34a_100000738205_100000718602 [0,2,0,0,0,0|2,0,0]=4 15556 B11R0.159 CCCCCNCCS(=O)(=O)[O-] 2230a_100000209983_100000737633 [0,2,0,0,0,0|2,0,0]=4 15557 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [0,2,0,0,0,0|2,0,0]=4 15558 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [0,2,0,0,0,0|2,0,0]=4 15559 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [0,2,0,0,0,0|2,0,0]=4 15560 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [0,2,0,0,0,0|2,0,0]=4 15561 B11R0.159 CCCCCOCCS(=O)(=O)N 34a_100012334274_100000718602 [0,2,0,0,0,0|2,0,0]=4 15562 B11R0.159 CCCCCOCCS(=O)(=O)[O-] 34a_100000210253_100000762736 [0,2,0,0,0,0|2,0,0]=4 15563 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [0,2,0,0,0,0|2,0,0]=4 15564 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [0,2,0,0,0,0|2,0,0]=4 15565 B11R0.159 CCCCCSCCS(=O)(=O)[O-] 62a_100000210326_100000762736 [0,2,0,0,0,0|2,0,0]=4 15566 B11R0.159 CCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210326 [0,2,0,0,0,0|2,0,0]=4 15567 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [0,2,0,0,0,0|2,0,0]=4 15568 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [0,2,0,0,0,0|2,0,0]=4 15569 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [0,2,0,0,0,0|2,0,0]=4 15570 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [0,2,0,0,0,0|2,0,0]=4 15571 B11R0.159 CCCCNCCCS(=O)(=O)N 2230a_100000102301_100000750626 [0,2,0,0,0,0|2,0,0]=4 15572 B11R0.159 CCCCNCCCS(=O)(=O)N 7a_106832991798_100000750626 [0,2,0,0,0,0|2,0,0]=4 15573 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [0,2,0,0,0,0|2,0,0]=4 15574 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [0,2,0,0,0,0|2,0,0]=4 15575 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [0,2,0,0,0,0|2,0,0]=4 15576 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [0,2,0,0,0,0|2,0,0]=4 15577 B11R0.159 CCCCOCCCS(=O)(=O)N 34a_100000210227_100000750626 [0,2,0,0,0,0|2,0,0]=4 15578 B11R0.159 CCCCOCCCS(=O)(=O)N 7a_100000210227_100000750626 [0,2,0,0,0,0|2,0,0]=4 15579 B11R0.159 CCCCOCCCS(=O)(=O)[O-] 34a_100000210227_100009813499 [0,2,0,0,0,0|2,0,0]=4 15580 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [0,2,0,0,0,0|2,0,0]=4 15581 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [0,2,0,0,0,0|2,0,0]=4 15582 B11R0.159 CCCCSCCCS(=O)(=O)N 62a_100000210211_100000750626 [0,2,0,0,0,0|2,0,0]=4 15583 B11R0.159 CCCCSCCCS(=O)(=O)N 62a_100000750626_100000210210 [0,2,0,0,0,0|2,0,0]=4 15584 B11R0.159 CCCCSCCCS(=O)(=O)[O-] 62a_100000210211_100009813499 [0,2,0,0,0,0|2,0,0]=4 15585 B11R0.159 CCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210210 [0,2,0,0,0,0|2,0,0]=4 15586 B11R0.159 CS(=O)(=O)CCNCCCC=O 2230a_100000740961_200011292268 [0,2,0,0,0,0|2,0,0]=4 15587 B11R0.159 CS(=O)(=O)CCOCCCC=O 7a_100000211924_200011292268 [0,2,0,0,0,0|2,0,0]=4 15588 B11R0.159 CS(=O)(=O)CCSCCCC=O 62a_100000731031_200011292268 [0,2,0,0,0,0|2,0,0]=4 15589 B11R0.159 CS(=O)(=O)CCSCCCC=O 62a_200011292268_100000230027 [0,2,0,0,0,0|2,0,0]=4 15590 B11R0.159 C[N+](C)(C)CCOCCCC=O 7a_200020618287_200011292268 [0,2,0,0,0,0|2,0,0]=4 15591 B11R0.159 C[N+](C)(C)CCSCCCC=O 62a_100000085578_200011292268 [0,2,0,0,0,0|2,0,0]=4 15592 B11R0.159 C[N+](C)(C)CCSCCCC=O 62a_200011292268_100000085578 [0,2,0,0,0,0|2,0,0]=4 15593 B11R0.159 C[N+](C)(C)CSCCCCC=O 62a_100000139335_200000036245 [0,2,0,0,0,0|2,0,0]=4 15594 B11R0.159 C[N+](C)(C)CSCCCCC=O 62a_200000036245_100000139335 [0,2,0,0,0,0|2,0,0]=4 15595 B11R0.159 C[Si](C)(C)CCCCOCC=O 7a_200009881916_200015260668 [0,2,0,0,0,0|1,1,0]=4 15596 B11R0.159 C[Si](C)(C)CCOCCCC=O 7a_100000039746_200011292268 [0,2,0,0,0,0|1,1,0]=4 15597 B11R0.159 C[Si](C)(C)CCSCCCC=O 62a_200000733723_200011292268 [0,2,0,0,0,0|1,1,0]=4 15598 B11R0.159 C[Si](C)(C)CCSCCCC=O 62a_200011292268_200000733723 [0,2,0,0,0,0|1,1,0]=4 15599 B11R0.159 C[Si](C)(C)CSCCCCC=O 62a_100000037933_100000139335 [0,2,0,0,0,0|1,1,0]=4 15600 B11R0.159 C[Si](C)(C)CSCCCCC=O 62a_100000139335_100000037933 [0,2,0,0,0,0|1,1,0]=4 15601 B11R0.159 O=CCCCCCSC(F)(F)F 62a_100000139337_200103152311 [0,2,0,0,0,0|2,0,0]=4 15602 B11R0.159 O=CCCCCCSC(F)(F)F 62a_200000243211_100000139337 [0,2,0,0,0,0|2,0,0]=4 15603 B11R0.159 O=CCCCCSCC(F)(F)F 62a_100000139335_100000763148 [0,2,0,0,0,0|2,0,0]=4 15604 B11R0.159 O=CCCCCSCC(F)(F)F 62a_100000763148_100000139335 [0,2,0,0,0,0|2,0,0]=4 15605 B11R0.159 O=CCCCNCCC(F)(F)F 2230a_100000740434_200011292268 [0,2,0,0,0,0|2,0,0]=4 15606 B11R0.159 O=CCCCSCCC(F)(F)F 62a_100011219754_200011292268 [0,2,0,0,0,0|2,0,0]=4 15607 B11R0.159 O=CCCCSCCC(F)(F)F 62a_200011292268_100011219754 [0,2,0,0,0,0|2,0,0]=4 15608 B11R0.159 O=CCOCCCCC(F)(F)F 34a_100000749236_200009817547 [0,2,0,0,0,0|2,0,0]=4 15609 B11R0.159 O=CCOCCCCC(F)(F)F 7a_100000749236_200015260668 [0,2,0,0,0,0|2,0,0]=4 15610 B11R0.159 O=CCSCCCCC(F)(F)F 62a_100000692467_200015260668 [0,2,0,0,0,0|2,0,0]=4 15611 B11R0.159 O=CCSCCCCC(F)(F)F 62a_200015260668_100000692467 [0,2,0,0,0,0|2,0,0]=4 15612 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,2,0,0,0,0|1,0,1]=4 15613 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,2,0,0,0,0|1,0,1]=4 15614 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,2,0,0,0,0|1,0,1]=4 15615 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,2,0,0,0,0|1,0,1]=4 15616 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,2,0,0,0,0|1,0,1]=4 15617 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,2,0,0,0,0|1,0,1]=4 15618 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,2,0,0,0,0|1,0,1]=4 15619 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,2,0,0,0,0|1,0,1]=4 15620 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,2,0,0,0,0|1,0,1]=4 15621 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,2,0,0,0,0|1,0,1]=4 15622 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,2,0,0,0,0|1,0,1]=4 15623 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,2,0,0,0,0|1,0,1]=4 15624 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,2,0,0,0,0|1,0,1]=4 15625 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,2,0,0,0,0|1,0,1]=4 15626 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [0,2,0,0,0,0|1,0,1]=4 15627 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,2,0,0,0,0|1,0,1]=4 15628 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,2,0,0,0,0|1,0,1]=4 15629 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,2,0,0,0,0|1,0,1]=4 15630 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [0,2,0,0,0,0|1,0,1]=4 15631 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [0,2,0,0,0,0|1,0,1]=4 15632 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [0,2,0,0,0,0|1,0,1]=4 15633 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [0,2,0,0,0,0|0,0,1]=3 15634 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [0,2,0,0,0,0|0,0,1]=3 15635 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,2,0,0,0,0|1,0,1]=4 15636 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,2,0,0,0,0|1,0,1]=4 15637 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,2,0,0,0,0|1,0,1]=4 15638 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,2,0,0,0,0|1,0,1]=4 15639 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,2,0,0,0,0|1,0,1]=4 15640 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,2,0,0,0,0|1,0,1]=4 15641 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,2,0,0,0,0|1,0,1]=4 15642 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,2,0,0,0,0|1,0,1]=4 15643 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,2,0,0,0,0|1,0,1]=4 15644 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,2,0,0,0,0|1,0,1]=4 15645 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [0,2,0,0,0,0|1,0,1]=4 15646 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [0,2,0,0,0,0|1,0,1]=4 15647 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [0,2,0,0,0,0|0,0,1]=3 15648 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [0,2,0,0,0,0|0,0,1]=3 15649 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,2,0,0,0,0|1,0,1]=4 15650 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,2,0,0,0,0|1,0,1]=4 15651 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,2,0,0,0,0|1,0,1]=4 15652 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,2,0,0,0,0|1,0,1]=4 15653 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,2,0,0,0,0|1,0,1]=4 15654 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,2,0,0,0,0|1,0,1]=4 15655 B11R0.3 C#CCCCCCCSCOC 62a_100000766300_100012276617 [0,2,0,0,0,0|1,0,1]=4 15656 B11R0.3 C#CCCCCCCSCOC 62a_100012276617_100000766300 [0,2,0,0,0,0|1,0,1]=4 15657 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,2,0,0,0,0|1,0,1]=4 15658 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,2,0,0,0,0|1,0,1]=4 15659 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [0,2,0,0,0,0|1,0,1]=4 15660 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,2,0,0,0,0|1,0,1]=4 15661 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,2,0,0,0,0|1,0,1]=4 15662 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,2,0,0,0,0|1,0,1]=4 15663 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,2,0,0,0,0|1,0,1]=4 15664 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,2,0,0,0,0|1,0,1]=4 15665 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,2,0,0,0,0|1,0,1]=4 15666 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [0,2,0,0,0,0|1,0,1]=4 15667 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [0,2,0,0,0,0|1,0,1]=4 15668 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [0,2,0,0,0,0|1,0,1]=4 15669 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,2,0,0,0,0|1,0,1]=4 15670 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,2,0,0,0,0|1,0,1]=4 15671 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,2,0,0,0,0|1,0,1]=4 15672 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,2,0,0,0,0|1,0,1]=4 15673 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,2,0,0,0,0|1,0,1]=4 15674 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,2,0,0,0,0|1,0,1]=4 15675 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,2,0,0,0,0|1,0,1]=4 15676 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,2,0,0,0,0|1,0,1]=4 15677 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,2,0,0,0,0|1,0,1]=4 15678 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,2,0,0,0,0|1,0,1]=4 15679 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,2,0,0,0,0|1,0,1]=4 15680 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,2,0,0,0,0|1,0,1]=4 15681 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,2,0,0,0,0|1,0,1]=4 15682 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,2,0,0,0,0|1,0,1]=4 15683 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,2,0,0,0,0|1,0,1]=4 15684 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,2,0,0,0,0|1,0,1]=4 15685 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,2,0,0,0,0|1,0,1]=4 15686 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,2,0,0,0,0|1,0,1]=4 15687 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,2,0,0,0,0|1,0,1]=4 15688 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [0,2,0,0,0,0|1,0,1]=4 15689 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [0,2,0,0,0,0|1,0,1]=4 15690 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,2,0,0,0,0|1,0,1]=4 15691 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,2,0,0,0,0|1,0,1]=4 15692 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,2,0,0,0,0|1,0,1]=4 15693 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,2,0,0,0,0|1,0,1]=4 15694 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,2,0,0,0,0|1,0,1]=4 15695 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,2,0,0,0,0|1,0,1]=4 15696 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,2,0,0,0,0|1,0,1]=4 15697 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,2,0,0,0,0|1,0,1]=4 15698 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,2,0,0,0,0|1,0,1]=4 15699 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,2,0,0,0,0|1,0,1]=4 15700 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,2,0,0,0,0|1,0,1]=4 15701 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,2,0,0,0,0|1,0,1]=4 15702 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [0,2,0,0,0,0|1,0,1]=4 15703 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [0,2,0,0,0,0|1,0,1]=4 15704 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [0,2,0,0,0,0|1,0,1]=4 15705 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [0,2,0,0,0,0|1,0,1]=4 15706 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [0,2,0,0,0,0|0,0,1]=3 15707 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,2,0,0,0,0|1,0,1]=4 15708 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,2,0,0,0,0|1,0,1]=4 15709 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,2,0,0,0,0|1,0,1]=4 15710 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,2,0,0,0,0|1,0,1]=4 15711 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,2,0,0,0,0|1,0,1]=4 15712 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,2,0,0,0,0|1,0,1]=4 15713 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,2,0,0,0,0|1,0,1]=4 15714 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,2,0,0,0,0|1,0,1]=4 15715 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,2,0,0,0,0|1,0,1]=4 15716 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,2,0,0,0,0|1,0,1]=4 15717 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,2,0,0,0,0|1,0,1]=4 15718 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,2,0,0,0,0|1,0,1]=4 15719 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,2,0,0,0,0|1,0,1]=4 15720 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,2,0,0,0,0|1,0,1]=4 15721 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,2,0,0,0,0|1,0,1]=4 15722 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,2,0,0,0,0|1,0,1]=4 15723 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,2,0,0,0,0|1,0,1]=4 15724 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,2,0,0,0,0|1,0,1]=4 15725 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,2,0,0,0,0|1,0,1]=4 15726 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,2,0,0,0,0|1,0,1]=4 15727 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [0,2,0,0,0,0|1,0,1]=4 15728 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [0,2,0,0,0,0|1,0,1]=4 15729 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [0,2,0,0,0,0|1,0,1]=4 15730 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [0,2,0,0,0,0|1,0,1]=4 15731 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,2,0,0,0,0|0,0,1]=3 15732 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,2,0,0,0,0|1,0,1]=4 15733 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,2,0,0,0,0|1,0,1]=4 15734 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,2,0,0,0,0|1,0,1]=4 15735 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,2,0,0,0,0|1,0,1]=4 15736 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,2,0,0,0,0|1,0,1]=4 15737 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,2,0,0,0,0|1,0,1]=4 15738 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,2,0,0,0,0|1,0,1]=4 15739 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,2,0,0,0,0|1,0,1]=4 15740 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,2,0,0,0,0|1,0,1]=4 15741 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,2,0,0,0,0|1,0,1]=4 15742 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,2,0,0,0,0|1,0,1]=4 15743 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,2,0,0,0,0|1,0,1]=4 15744 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,2,0,0,0,0|1,0,1]=4 15745 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,2,0,0,0,0|1,0,1]=4 15746 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,2,0,0,0,0|1,0,1]=4 15747 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,2,0,0,0,0|1,0,1]=4 15748 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,2,0,0,0,0|1,0,1]=4 15749 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,2,0,0,0,0|1,0,1]=4 15750 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,2,0,0,0,0|1,0,1]=4 15751 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,2,0,0,0,0|1,0,1]=4 15752 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,2,0,0,0,0|1,0,1]=4 15753 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,2,0,0,0,0|1,0,1]=4 15754 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,2,0,0,0,0|1,0,1]=4 15755 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,2,0,0,0,0|1,0,1]=4 15756 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,2,0,0,0,0|1,0,1]=4 15757 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,2,0,0,0,0|1,0,1]=4 15758 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,2,0,0,0,0|1,0,1]=4 15759 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,2,0,0,0,0|1,0,1]=4 15760 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,2,0,0,0,0|1,0,1]=4 15761 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [0,2,0,0,0,0|1,0,1]=4 15762 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [0,2,0,0,0,0|1,0,1]=4 15763 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [0,2,0,0,0,0|0,0,1]=3 15764 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [0,2,0,0,0,0|0,0,1]=3 15765 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,2,0,0,0,0|1,0,1]=4 15766 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,2,0,0,0,0|1,0,1]=4 15767 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,2,0,0,0,0|1,0,1]=4 15768 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,2,0,0,0,0|1,0,1]=4 15769 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,2,0,0,0,0|1,0,1]=4 15770 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,2,0,0,0,0|1,0,1]=4 15771 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,2,0,0,0,0|1,0,1]=4 15772 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,2,0,0,0,0|1,0,1]=4 15773 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,2,0,0,0,0|1,0,1]=4 15774 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,2,0,0,0,0|1,0,1]=4 15775 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,2,0,0,0,0|1,0,1]=4 15776 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,2,0,0,0,0|1,0,1]=4 15777 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [0,2,0,0,0,0|1,0,1]=4 15778 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [0,2,0,0,0,0|1,0,1]=4 15779 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [0,2,0,0,0,0|1,0,1]=4 15780 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,2,0,0,0,0|1,0,1]=4 15781 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,2,0,0,0,0|1,0,1]=4 15782 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,2,0,0,0,0|1,0,1]=4 15783 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,2,0,0,0,0|1,0,1]=4 15784 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,2,0,0,0,0|1,0,1]=4 15785 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,2,0,0,0,0|1,0,1]=4 15786 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,2,0,0,0,0|1,0,1]=4 15787 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,2,0,0,0,0|1,0,1]=4 15788 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,2,0,0,0,0|1,0,1]=4 15789 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,2,0,0,0,0|1,0,1]=4 15790 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,2,0,0,0,0|1,0,1]=4 15791 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,2,0,0,0,0|1,0,1]=4 15792 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,2,0,0,0,0|1,0,1]=4 15793 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,2,0,0,0,0|1,0,1]=4 15794 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,2,0,0,0,0|1,0,1]=4 15795 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [0,2,0,0,0,0|1,0,1]=4 15796 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [0,2,0,0,0,0|1,0,1]=4 15797 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [0,2,0,0,0,0|1,0,1]=4 15798 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [0,2,0,0,0,0|1,0,1]=4 15799 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,2,0,0,0,0|0,0,1]=3 15800 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,2,0,0,0,0|1,0,1]=4 15801 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,2,0,0,0,0|1,0,1]=4 15802 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,2,0,0,0,0|1,0,1]=4 15803 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,2,0,0,0,0|1,0,1]=4 15804 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,2,0,0,0,0|1,0,1]=4 15805 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,2,0,0,0,0|1,0,1]=4 15806 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,2,0,0,0,0|1,0,1]=4 15807 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,2,0,0,0,0|1,0,1]=4 15808 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,2,0,0,0,0|1,0,1]=4 15809 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,2,0,0,0,0|1,0,1]=4 15810 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,2,0,0,0,0|1,0,1]=4 15811 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,2,0,0,0,0|1,0,1]=4 15812 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,2,0,0,0,0|1,0,1]=4 15813 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,2,0,0,0,0|1,0,1]=4 15814 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,2,0,0,0,0|1,0,1]=4 15815 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,2,0,0,0,0|1,0,1]=4 15816 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,2,0,0,0,0|1,0,1]=4 15817 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,2,0,0,0,0|1,0,1]=4 15818 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,2,0,0,0,0|1,0,1]=4 15819 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,2,0,0,0,0|1,0,1]=4 15820 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,2,0,0,0,0|1,0,1]=4 15821 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,2,0,0,0,0|1,0,1]=4 15822 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,2,0,0,0,0|1,0,1]=4 15823 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,2,0,0,0,0|1,0,1]=4 15824 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,2,0,0,0,0|1,0,1]=4 15825 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,2,0,0,0,0|1,0,1]=4 15826 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,2,0,0,0,0|1,0,1]=4 15827 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,2,0,0,0,0|1,0,1]=4 15828 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,2,0,0,0,0|1,0,1]=4 15829 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,2,0,0,0,0|1,0,1]=4 15830 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,2,0,0,0,0|1,0,1]=4 15831 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,2,0,0,0,0|1,0,1]=4 15832 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,2,0,0,0,0|1,0,1]=4 15833 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [0,2,0,0,0,0|1,0,1]=4 15834 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [0,2,0,0,0,0|1,0,1]=4 15835 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,2,0,0,0,0|0,0,1]=3 15836 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,2,0,0,0,0|0,0,1]=3 15837 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,2,0,0,0,0|1,0,1]=4 15838 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,2,0,0,0,0|1,0,1]=4 15839 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,2,0,0,0,0|1,0,1]=4 15840 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,2,0,0,0,0|1,0,1]=4 15841 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,2,0,0,0,0|1,0,1]=4 15842 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,2,0,0,0,0|1,0,1]=4 15843 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,2,0,0,0,0|1,0,1]=4 15844 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,2,0,0,0,0|1,0,1]=4 15845 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,2,0,0,0,0|1,0,1]=4 15846 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,2,0,0,0,0|1,0,1]=4 15847 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,2,0,0,0,0|1,0,1]=4 15848 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,2,0,0,0,0|1,0,1]=4 15849 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,2,0,0,0,0|1,0,1]=4 15850 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,2,0,0,0,0|1,0,1]=4 15851 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [0,2,0,0,0,0|1,0,1]=4 15852 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,2,0,0,0,0|1,0,1]=4 15853 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,2,0,0,0,0|1,0,1]=4 15854 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,2,0,0,0,0|1,0,1]=4 15855 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,2,0,0,0,0|1,0,1]=4 15856 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,2,0,0,0,0|1,0,1]=4 15857 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,2,0,0,0,0|1,0,1]=4 15858 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,2,0,0,0,0|1,0,1]=4 15859 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,2,0,0,0,0|1,0,1]=4 15860 B11R0.3 C#CCCNCCCOCCC 2230a_100011217757_100000688953 [0,2,0,0,0,0|1,0,1]=4 15861 B11R0.3 C#CCCNCCCOCCC 34a_100011217757_100000688953 [0,2,0,0,0,0|1,0,1]=4 15862 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,2,0,0,0,0|1,0,1]=4 15863 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,2,0,0,0,0|1,0,1]=4 15864 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [0,2,0,0,0,0|1,0,1]=4 15865 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [0,2,0,0,0,0|1,0,1]=4 15866 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [0,2,0,0,0,0|1,0,1]=4 15867 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,2,0,0,0,0|1,0,1]=4 15868 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,2,0,0,0,0|1,0,1]=4 15869 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,2,0,0,0,0|1,0,1]=4 15870 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,2,0,0,0,0|1,0,1]=4 15871 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,2,0,0,0,0|1,0,1]=4 15872 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,2,0,0,0,0|1,0,1]=4 15873 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,2,0,0,0,0|1,0,1]=4 15874 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,2,0,0,0,0|1,0,1]=4 15875 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,2,0,0,0,0|1,0,1]=4 15876 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,2,0,0,0,0|1,0,1]=4 15877 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,2,0,0,0,0|1,0,1]=4 15878 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,2,0,0,0,0|1,0,1]=4 15879 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,2,0,0,0,0|1,0,1]=4 15880 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,2,0,0,0,0|1,0,1]=4 15881 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,2,0,0,0,0|1,0,1]=4 15882 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,2,0,0,0,0|1,0,1]=4 15883 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,2,0,0,0,0|1,0,1]=4 15884 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,2,0,0,0,0|1,0,1]=4 15885 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [0,2,0,0,0,0|1,0,1]=4 15886 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [0,2,0,0,0,0|1,0,1]=4 15887 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,2,0,0,0,0|0,0,1]=3 15888 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,2,0,0,0,0|0,0,1]=3 15889 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,2,0,0,0,0|1,0,1]=4 15890 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,2,0,0,0,0|1,0,1]=4 15891 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,2,0,0,0,0|1,0,1]=4 15892 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,2,0,0,0,0|1,0,1]=4 15893 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,2,0,0,0,0|1,0,1]=4 15894 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,2,0,0,0,0|1,0,1]=4 15895 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,2,0,0,0,0|1,0,1]=4 15896 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,2,0,0,0,0|1,0,1]=4 15897 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [0,2,0,0,0,0|1,0,1]=4 15898 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,2,0,0,0,0|1,0,1]=4 15899 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,2,0,0,0,0|1,0,1]=4 15900 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,2,0,0,0,0|1,0,1]=4 15901 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,2,0,0,0,0|1,0,1]=4 15902 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,2,0,0,0,0|1,0,1]=4 15903 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,2,0,0,0,0|1,0,1]=4 15904 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,2,0,0,0,0|1,0,1]=4 15905 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,2,0,0,0,0|1,0,1]=4 15906 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,2,0,0,0,0|1,0,1]=4 15907 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [0,2,0,0,0,0|1,0,1]=4 15908 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [0,2,0,0,0,0|1,0,1]=4 15909 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [0,2,0,0,0,0|1,0,1]=4 15910 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,2,0,0,0,0|1,0,1]=4 15911 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,2,0,0,0,0|1,0,1]=4 15912 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,2,0,0,0,0|1,0,1]=4 15913 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,2,0,0,0,0|1,0,1]=4 15914 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,2,0,0,0,0|1,0,1]=4 15915 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,2,0,0,0,0|1,0,1]=4 15916 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,2,0,0,0,0|1,0,1]=4 15917 B11R0.3 C#CCOCCCCCCOC 34a_100000210247_100011998445 [0,2,0,0,0,0|1,0,1]=4 15918 B11R0.3 C#CCOCCCCCCOC 34a_200011021349_200000210301 [0,2,0,0,0,0|1,0,1]=4 15919 B11R0.3 C#CCOCCCCCCOC 34a_200012092642_100000184674 [0,2,0,0,0,0|1,0,1]=4 15920 B11R0.3 C#CCOCCCCCCOC 7a_200011021349_200000210301 [0,2,0,0,0,0|1,0,1]=4 15921 B11R0.3 C#CCOCCCCCCOC 7a_200012092642_100000038162 [0,2,0,0,0,0|1,0,1]=4 15922 B11R0.3 C#CCOCCCCCCO[13CH3] 34a_200011021349_200025704644 [0,2,0,0,0,0|1,0,1]=4 15923 B11R0.3 C#CCOCCCCCCO[13CH3] 7a_200011021349_200025704644 [0,2,0,0,0,0|1,0,1]=4 15924 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,2,0,0,0,0|1,0,1]=4 15925 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,2,0,0,0,0|1,0,1]=4 15926 B11R0.3 C#CCOCCNCCCC=O 2230a_100000700922_200011292268 [0,2,0,0,0,0|0,0,2]=4 15927 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,2,0,0,0,0|1,0,1]=4 15928 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,2,0,0,0,0|1,0,1]=4 15929 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,2,0,0,0,0|1,0,1]=4 15930 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,2,0,0,0,0|1,0,1]=4 15931 B11R0.3 C#CCOCCOCCCC=O 7a_100000054580_200011292268 [0,2,0,0,0,0|0,0,2]=4 15932 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,2,0,0,0,0|1,0,1]=4 15933 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,2,0,0,0,0|1,0,1]=4 15934 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,2,0,0,0,0|1,0,1]=4 15935 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,2,0,0,0,0|1,0,1]=4 15936 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,2,0,0,0,0|1,0,1]=4 15937 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,2,0,0,0,0|1,0,1]=4 15938 B11R0.3 C#CCOCCSCCCC=O 62a_100010402529_200011292268 [0,2,0,0,0,0|0,0,2]=4 15939 B11R0.3 C#CCOCCSCCCC=O 62a_200011292268_100010402529 [0,2,0,0,0,0|0,0,2]=4 15940 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,2,0,0,0,0|1,0,1]=4 15941 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,2,0,0,0,0|1,0,1]=4 15942 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [0,2,0,0,0,0|1,0,1]=4 15943 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,2,0,0,0,0|1,0,1]=4 15944 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,2,0,0,0,0|1,0,1]=4 15945 B11R0.3 C#CCSCCCCCCOC 62a_100000038162_100011998445 [0,2,0,0,0,0|1,0,1]=4 15946 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,2,0,0,0,0|1,0,0]=3 15947 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,2,0,0,0,0|1,0,1]=4 15948 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,2,0,0,0,0|1,0,1]=4 15949 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,2,0,0,0,0|1,0,1]=4 15950 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [0,2,0,0,0,0|1,0,1]=4 15951 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [0,2,0,0,0,0|1,0,1]=4 15952 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [0,2,0,0,0,0|1,0,1]=4 15953 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,2,0,0,0,0|1,0,1]=4 15954 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,2,0,0,0,0|1,0,1]=4 15955 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [0,2,0,0,0,0|1,0,1]=4 15956 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,2,0,0,0,0|1,0,1]=4 15957 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,2,0,0,0,0|1,0,1]=4 15958 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,2,0,0,0,0|1,0,0]=3 15959 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,2,0,0,0,0|1,0,0]=3 15960 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,2,0,0,0,0|1,0,0]=3 15961 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,2,0,0,0,0|1,0,1]=4 15962 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,2,0,0,0,0|1,0,1]=4 15963 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,2,0,0,0,0|1,0,1]=4 15964 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,2,0,0,0,0|1,0,1]=4 15965 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,2,0,0,0,0|1,0,1]=4 15966 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,2,0,0,0,0|1,0,1]=4 15967 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,2,0,0,0,0|1,0,1]=4 15968 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [0,2,0,0,0,0|1,0,1]=4 15969 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [0,2,0,0,0,0|1,0,1]=4 15970 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [0,2,0,0,0,0|1,0,1]=4 15971 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [0,2,0,0,0,0|1,0,1]=4 15972 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [0,2,0,0,0,0|1,0,1]=4 15973 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [0,2,0,0,0,0|1,0,1]=4 15974 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,2,0,0,0,0|0,0,1]=3 15975 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,2,0,0,0,0|0,0,1]=3 15976 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,2,0,0,0,0|1,0,0]=3 15977 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,2,0,0,0,0|1,0,0]=3 15978 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,2,0,0,0,0|1,0,1]=4 15979 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,2,0,0,0,0|1,0,1]=4 15980 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,2,0,0,0,0|1,0,1]=4 15981 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,2,0,0,0,0|1,0,1]=4 15982 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [0,2,0,0,0,0|1,0,1]=4 15983 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [0,2,0,0,0,0|1,0,1]=4 15984 B11R0.3 C=CCCC/C=C/COCCC 34a_200016268473_100000210303 [0,2,0,0,0,0|1,0,1]=4 15985 B11R0.3 C=CCCC/C=C/COCCC 7a_200016268473_100000210303 [0,2,0,0,0,0|1,0,1]=4 15986 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [0,2,0,0,0,0|1,0,1]=4 15987 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,2,0,0,0,0|1,0,0]=3 15988 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,2,0,0,0,0|1,0,0]=3 15989 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,2,0,0,0,0|1,0,0]=3 15990 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,2,0,0,0,0|1,0,0]=3 15991 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,2,0,0,0,0|1,0,0]=3 15992 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,2,0,0,0,0|1,0,0]=3 15993 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,2,0,0,0,0|1,0,0]=3 15994 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,2,0,0,0,0|1,0,0]=3 15995 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,2,0,0,0,0|1,0,0]=3 15996 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,2,0,0,0,0|1,0,0]=3 15997 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,2,0,0,0,0|1,0,0]=3 15998 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,2,0,0,0,0|1,0,0]=3 15999 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,2,0,0,0,0|1,0,0]=3 16000 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,2,0,0,0,0|1,0,0]=3 16001 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,2,0,0,0,0|1,0,0]=3 16002 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,2,0,0,0,0|1,0,0]=3 16003 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,2,0,0,0,0|1,0,0]=3 16004 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,2,0,0,0,0|1,0,0]=3 16005 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,2,0,0,0,0|1,0,0]=3 16006 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,2,0,0,0,0|1,0,0]=3 16007 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,2,0,0,0,0|1,0,0]=3 16008 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,2,0,0,0,0|1,0,0]=3 16009 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [0,2,0,0,0,0|1,0,1]=4 16010 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,2,0,0,0,0|1,0,0]=3 16011 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,2,0,0,0,0|1,0,0]=3 16012 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,2,0,0,0,0|1,0,0]=3 16013 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [0,2,0,0,0,0|1,0,1]=4 16014 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [0,2,0,0,0,0|1,0,1]=4 16015 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [0,2,0,0,0,0|1,0,1]=4 16016 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [0,2,0,0,0,0|1,0,1]=4 16017 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [0,2,0,0,0,0|0,0,1]=3 16018 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [0,2,0,0,0,0|0,0,1]=3 16019 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,2,0,0,0,0|1,0,0]=3 16020 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,2,0,0,0,0|1,0,0]=3 16021 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,2,0,0,0,0|1,0,0]=3 16022 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,2,0,0,0,0|1,0,0]=3 16023 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,2,0,0,0,0|1,0,0]=3 16024 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,2,0,0,0,0|1,0,0]=3 16025 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,2,0,0,0,0|1,0,0]=3 16026 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,2,0,0,0,0|1,0,0]=3 16027 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,2,0,0,0,0|1,0,0]=3 16028 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,2,0,0,0,0|1,0,0]=3 16029 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [0,2,0,0,0,0|1,0,1]=4 16030 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [0,2,0,0,0,0|1,0,1]=4 16031 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [0,2,0,0,0,0|1,0,1]=4 16032 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [0,2,0,0,0,0|1,0,1]=4 16033 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [0,2,0,0,0,0|0,0,1]=3 16034 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [0,2,0,0,0,0|0,0,1]=3 16035 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,2,0,0,0,0|1,0,0]=3 16036 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,2,0,0,0,0|1,0,0]=3 16037 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,2,0,0,0,0|1,0,0]=3 16038 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,2,0,0,0,0|1,0,0]=3 16039 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,2,0,0,0,0|1,0,0]=3 16040 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,2,0,0,0,0|1,0,0]=3 16041 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,2,0,0,0,0|1,0,0]=3 16042 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,2,0,0,0,0|1,0,0]=3 16043 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,2,0,0,0,0|1,0,0]=3 16044 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,2,0,0,0,0|1,0,0]=3 16045 B11R0.3 C=CCCCCCNCC#CC 2230a_100000685387_100000700193 [0,2,0,0,0,0|1,0,1]=4 16046 B11R0.3 C=CCCCCCNCC#CC 34a_100000685387_100000700193 [0,2,0,0,0,0|1,0,1]=4 16047 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [0,2,0,0,0,0|1,0,1]=4 16048 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,2,0,0,0,0|1,0,0]=3 16049 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,2,0,0,0,0|1,0,0]=3 16050 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,2,0,0,0,0|1,0,0]=3 16051 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,2,0,0,0,0|1,0,0]=3 16052 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,2,0,0,0,0|1,0,0]=3 16053 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,2,0,0,0,0|1,0,0]=3 16054 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [0,2,0,0,0,0|1,0,1]=4 16055 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [0,2,0,0,0,0|1,0,1]=4 16056 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [0,2,0,0,0,0|1,0,1]=4 16057 B11R0.3 C=CCCCCCOCC#CC 34a_100000761923_100000700193 [0,2,0,0,0,0|1,0,1]=4 16058 B11R0.3 C=CCCCCCOCC#CC 34a_100011216702_100000748600 [0,2,0,0,0,0|1,0,1]=4 16059 B11R0.3 C=CCCCCCOCC#CC 7a_100011216702_100000748600 [0,2,0,0,0,0|1,0,1]=4 16060 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [0,2,0,0,0,0|1,0,1]=4 16061 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [0,2,0,0,0,0|1,0,1]=4 16062 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [0,2,0,0,0,0|1,0,1]=4 16063 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [0,2,0,0,0,0|1,0,1]=4 16064 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [0,2,0,0,0,0|1,0,1]=4 16065 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [0,2,0,0,0,0|1,0,1]=4 16066 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,2,0,0,0,0|1,0,0]=3 16067 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,2,0,0,0,0|1,0,0]=3 16068 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,2,0,0,0,0|1,0,0]=3 16069 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,2,0,0,0,0|1,0,0]=3 16070 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,2,0,0,0,0|1,0,0]=3 16071 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,2,0,0,0,0|1,0,0]=3 16072 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,2,0,0,0,0|1,0,0]=3 16073 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,2,0,0,0,0|1,0,0]=3 16074 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,2,0,0,0,0|1,0,0]=3 16075 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,2,0,0,0,0|1,0,0]=3 16076 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,2,0,0,0,0|1,0,0]=3 16077 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,2,0,0,0,0|1,0,0]=3 16078 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,2,0,0,0,0|1,0,0]=3 16079 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,2,0,0,0,0|1,0,0]=3 16080 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,2,0,0,0,0|1,0,0]=3 16081 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,2,0,0,0,0|2,0,0]=4 16082 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,2,0,0,0,0|1,0,0]=3 16083 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,2,0,0,0,0|1,0,0]=3 16084 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,2,0,0,0,0|1,0,0]=3 16085 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,2,0,0,0,0|1,0,0]=3 16086 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [0,2,0,0,0,0|1,0,1]=4 16087 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [0,2,0,0,0,0|1,0,1]=4 16088 B11R0.3 C=CCCCCCSCC#CC 62a_100000700193_100000748600 [0,2,0,0,0,0|1,0,1]=4 16089 B11R0.3 C=CCCCCCSCC#CC 62a_100000748600_100000700193 [0,2,0,0,0,0|1,0,1]=4 16090 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [0,2,0,0,0,0|1,0,1]=4 16091 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [0,2,0,0,0,0|1,0,1]=4 16092 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [0,2,0,0,0,0|1,0,1]=4 16093 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [0,2,0,0,0,0|1,0,1]=4 16094 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [0,2,0,0,0,0|1,0,1]=4 16095 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [0,2,0,0,0,0|1,0,1]=4 16096 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,2,0,0,0,0|1,0,0]=3 16097 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,2,0,0,0,0|1,0,0]=3 16098 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,2,0,0,0,0|1,0,0]=3 16099 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,2,0,0,0,0|1,0,0]=3 16100 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,2,0,0,0,0|1,0,0]=3 16101 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,2,0,0,0,0|1,0,0]=3 16102 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,2,0,0,0,0|1,0,0]=3 16103 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,2,0,0,0,0|1,0,0]=3 16104 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,2,0,0,0,0|1,0,0]=3 16105 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,2,0,0,0,0|1,0,0]=3 16106 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,2,0,0,0,0|1,0,0]=3 16107 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,2,0,0,0,0|1,0,0]=3 16108 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,2,0,0,0,0|1,0,1]=4 16109 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,2,0,0,0,0|1,0,1]=4 16110 B11R0.3 C=CCCCCNCC#CCC 2230a_100000703577_100009813939 [0,2,0,0,0,0|1,0,1]=4 16111 B11R0.3 C=CCCCCNCC#CCC 34a_100000703577_100009813939 [0,2,0,0,0,0|1,0,1]=4 16112 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [0,2,0,0,0,0|1,0,1]=4 16113 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [0,2,0,0,0,0|1,0,1]=4 16114 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [0,2,0,0,0,0|1,0,1]=4 16115 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [0,2,0,0,0,0|1,0,1]=4 16116 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [0,2,0,0,0,0|1,0,1]=4 16117 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [0,2,0,0,0,0|0,0,1]=3 16118 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,2,0,0,0,0|1,0,0]=3 16119 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,2,0,0,0,0|1,0,0]=3 16120 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,2,0,0,0,0|1,0,0]=3 16121 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,2,0,0,0,0|1,0,0]=3 16122 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,2,0,0,0,0|1,0,0]=3 16123 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,2,0,0,0,0|1,0,0]=3 16124 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,2,0,0,0,0|1,0,0]=3 16125 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,2,0,0,0,0|1,0,0]=3 16126 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,2,0,0,0,0|1,0,0]=3 16127 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,2,0,0,0,0|1,0,0]=3 16128 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,2,0,0,0,0|1,0,0]=3 16129 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,2,0,0,0,0|1,0,0]=3 16130 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,2,0,0,0,0|1,0,0]=3 16131 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,2,0,0,0,0|1,0,0]=3 16132 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,2,0,0,0,0|1,0,0]=3 16133 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,2,0,0,0,0|1,0,0]=3 16134 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,2,0,0,0,0|1,0,0]=3 16135 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,2,0,0,0,0|1,0,0]=3 16136 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,2,0,0,0,0|1,0,0]=3 16137 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,2,0,0,0,0|1,0,0]=3 16138 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,2,0,0,0,0|1,0,1]=4 16139 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,2,0,0,0,0|1,0,1]=4 16140 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,2,0,0,0,0|1,0,1]=4 16141 B11R0.3 C=CCCCCOCC#CCC 34a_100000032950_100011215482 [0,2,0,0,0,0|1,0,1]=4 16142 B11R0.3 C=CCCCCOCC#CCC 34a_100000766645_100009813939 [0,2,0,0,0,0|1,0,1]=4 16143 B11R0.3 C=CCCCCOCC#CCC 7a_100000766645_100009813939 [0,2,0,0,0,0|1,0,1]=4 16144 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [0,2,0,0,0,0|1,0,1]=4 16145 B11R0.3 C=CCCCCOCCC#CC 34a_100000750427_100011215482 [0,2,0,0,0,0|1,0,1]=4 16146 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [0,2,0,0,0,0|1,0,1]=4 16147 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [0,2,0,0,0,0|1,0,1]=4 16148 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [0,2,0,0,0,0|1,0,1]=4 16149 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [0,2,0,0,0,0|1,0,1]=4 16150 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [0,2,0,0,0,0|1,0,1]=4 16151 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,2,0,0,0,0|0,0,1]=3 16152 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,2,0,0,0,0|1,0,0]=3 16153 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,2,0,0,0,0|1,0,0]=3 16154 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,2,0,0,0,0|1,0,0]=3 16155 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,2,0,0,0,0|1,0,0]=3 16156 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,2,0,0,0,0|1,0,0]=3 16157 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,2,0,0,0,0|1,0,0]=3 16158 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,2,0,0,0,0|1,0,0]=3 16159 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,2,0,0,0,0|1,0,0]=3 16160 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,2,0,0,0,0|1,0,0]=3 16161 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,2,0,0,0,0|1,0,0]=3 16162 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,2,0,0,0,0|1,0,0]=3 16163 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,2,0,0,0,0|1,0,0]=3 16164 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,2,0,0,0,0|1,0,0]=3 16165 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,2,0,0,0,0|1,0,0]=3 16166 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,2,0,0,0,0|1,0,0]=3 16167 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,2,0,0,0,0|1,0,0]=3 16168 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,2,0,0,0,0|1,0,0]=3 16169 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,2,0,0,0,0|1,0,0]=3 16170 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,2,0,0,0,0|1,0,0]=3 16171 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,2,0,0,0,0|1,0,0]=3 16172 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,2,0,0,0,0|1,0,0]=3 16173 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,2,0,0,0,0|1,0,0]=3 16174 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,2,0,0,0,0|1,0,0]=3 16175 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,2,0,0,0,0|1,0,0]=3 16176 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,2,0,0,0,0|1,0,0]=3 16177 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,2,0,0,0,0|1,0,0]=3 16178 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,2,0,0,0,0|1,0,0]=3 16179 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,2,0,0,0,0|1,0,0]=3 16180 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,2,0,0,0,0|1,0,0]=3 16181 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,2,0,0,0,0|1,0,1]=4 16182 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,2,0,0,0,0|1,0,1]=4 16183 B11R0.3 C=CCCCCSCC#CCC 62a_100009813939_100011215482 [0,2,0,0,0,0|1,0,1]=4 16184 B11R0.3 C=CCCCCSCC#CCC 62a_100011215482_100009813939 [0,2,0,0,0,0|1,0,1]=4 16185 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [0,2,0,0,0,0|1,0,1]=4 16186 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [0,2,0,0,0,0|1,0,1]=4 16187 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [0,2,0,0,0,0|1,0,1]=4 16188 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [0,2,0,0,0,0|1,0,1]=4 16189 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [0,2,0,0,0,0|0,0,1]=3 16190 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [0,2,0,0,0,0|0,0,1]=3 16191 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,2,0,0,0,0|1,0,0]=3 16192 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,2,0,0,0,0|1,0,0]=3 16193 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,2,0,0,0,0|1,0,0]=3 16194 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,2,0,0,0,0|1,0,0]=3 16195 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,2,0,0,0,0|1,0,0]=3 16196 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,2,0,0,0,0|1,0,0]=3 16197 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,2,0,0,0,0|1,0,0]=3 16198 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,2,0,0,0,0|1,0,0]=3 16199 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,2,0,0,0,0|1,0,0]=3 16200 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,2,0,0,0,0|1,0,0]=3 16201 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,2,0,0,0,0|1,0,0]=3 16202 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,2,0,0,0,0|1,0,0]=3 16203 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,2,0,0,0,0|1,0,1]=4 16204 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,2,0,0,0,0|1,0,1]=4 16205 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [0,2,0,0,0,0|1,0,1]=4 16206 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,2,0,0,0,0|0,0,1]=3 16207 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,2,0,0,0,0|1,0,0]=3 16208 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,2,0,0,0,0|1,0,0]=3 16209 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,2,0,0,0,0|1,0,0]=3 16210 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,2,0,0,0,0|1,0,0]=3 16211 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,2,0,0,0,0|1,0,0]=3 16212 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,2,0,0,0,0|1,0,0]=3 16213 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,2,0,0,0,0|1,0,0]=3 16214 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,2,0,0,0,0|1,0,0]=3 16215 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,2,0,0,0,0|1,0,0]=3 16216 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,2,0,0,0,0|1,0,0]=3 16217 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,2,0,0,0,0|1,0,0]=3 16218 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,2,0,0,0,0|1,0,0]=3 16219 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,2,0,0,0,0|1,0,0]=3 16220 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,2,0,0,0,0|1,0,0]=3 16221 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,2,0,0,0,0|1,0,0]=3 16222 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,2,0,0,0,0|1,0,0]=3 16223 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,2,0,0,0,0|1,0,0]=3 16224 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,2,0,0,0,0|1,0,0]=3 16225 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,2,0,0,0,0|1,0,0]=3 16226 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,2,0,0,0,0|2,0,0]=4 16227 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,2,0,0,0,0|2,0,0]=4 16228 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,2,0,0,0,0|2,0,0]=4 16229 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,2,0,0,0,0|2,0,0]=4 16230 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,2,0,0,0,0|1,0,0]=3 16231 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,2,0,0,0,0|2,0,0]=4 16232 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,2,0,0,0,0|1,0,0]=3 16233 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,2,0,0,0,0|1,0,0]=3 16234 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,2,0,0,0,0|2,0,0]=4 16235 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,2,0,0,0,0|1,0,1]=4 16236 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,2,0,0,0,0|1,0,1]=4 16237 B11R0.3 C=CCCCOCC#CCCC 34a_100000034806_100000757094 [0,2,0,0,0,0|1,0,1]=4 16238 B11R0.3 C=CCCCOCC#CCCC 7a_100000034806_100000757094 [0,2,0,0,0,0|1,0,1]=4 16239 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,2,0,0,0,0|1,0,1]=4 16240 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,2,0,0,0,0|1,0,1]=4 16241 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,2,0,0,0,0|1,0,1]=4 16242 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,2,0,0,0,0|1,0,1]=4 16243 B11R0.3 C=CCCCOCCC#CCC 34a_100000036655_100000757094 [0,2,0,0,0,0|1,0,1]=4 16244 B11R0.3 C=CCCCOCCC#CCC 7a_100000036655_100000757094 [0,2,0,0,0,0|1,0,1]=4 16245 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [0,2,0,0,0,0|1,0,1]=4 16246 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [0,2,0,0,0,0|1,0,1]=4 16247 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,2,0,0,0,0|0,0,1]=3 16248 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,2,0,0,0,0|1,0,0]=3 16249 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,2,0,0,0,0|1,0,0]=3 16250 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,2,0,0,0,0|1,0,0]=3 16251 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,2,0,0,0,0|1,0,0]=3 16252 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,2,0,0,0,0|1,0,0]=3 16253 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,2,0,0,0,0|1,0,0]=3 16254 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,2,0,0,0,0|1,0,0]=3 16255 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,2,0,0,0,0|1,0,0]=3 16256 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,2,0,0,0,0|1,0,0]=3 16257 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,2,0,0,0,0|1,0,0]=3 16258 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,2,0,0,0,0|1,0,0]=3 16259 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,2,0,0,0,0|1,0,0]=3 16260 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,2,0,0,0,0|1,0,0]=3 16261 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,2,0,0,0,0|1,0,0]=3 16262 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,2,0,0,0,0|1,0,0]=3 16263 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,2,0,0,0,0|1,0,0]=3 16264 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,2,0,0,0,0|1,0,0]=3 16265 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,2,0,0,0,0|1,0,0]=3 16266 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,2,0,0,0,0|1,0,0]=3 16267 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,2,0,0,0,0|1,0,0]=3 16268 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,2,0,0,0,0|1,0,0]=3 16269 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,2,0,0,0,0|1,0,0]=3 16270 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,2,0,0,0,0|1,0,0]=3 16271 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,2,0,0,0,0|1,0,0]=3 16272 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,2,0,0,0,0|1,0,0]=3 16273 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,2,0,0,0,0|1,0,0]=3 16274 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,2,0,0,0,0|2,0,0]=4 16275 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,2,0,0,0,0|2,0,0]=4 16276 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,2,0,0,0,0|1,0,0]=3 16277 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,2,0,0,0,0|1,0,0]=3 16278 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,2,0,0,0,0|1,0,0]=3 16279 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,2,0,0,0,0|1,0,0]=3 16280 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,2,0,0,0,0|2,0,0]=4 16281 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,2,0,0,0,0|2,0,0]=4 16282 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,2,0,0,0,0|2,0,0]=4 16283 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,2,0,0,0,0|2,0,0]=4 16284 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,2,0,0,0,0|2,0,0]=4 16285 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,2,0,0,0,0|2,0,0]=4 16286 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,2,0,0,0,0|2,0,0]=4 16287 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,2,0,0,0,0|2,0,0]=4 16288 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,2,0,0,0,0|2,0,0]=4 16289 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,2,0,0,0,0|1,0,0]=3 16290 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,2,0,0,0,0|1,0,0]=3 16291 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,2,0,0,0,0|1,0,0]=3 16292 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,2,0,0,0,0|1,0,1]=4 16293 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,2,0,0,0,0|1,0,1]=4 16294 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [0,2,0,0,0,0|1,0,1]=4 16295 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [0,2,0,0,0,0|1,0,1]=4 16296 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,2,0,0,0,0|0,0,1]=3 16297 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,2,0,0,0,0|0,0,1]=3 16298 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,2,0,0,0,0|1,0,0]=3 16299 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,2,0,0,0,0|1,0,0]=3 16300 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,2,0,0,0,0|1,0,0]=3 16301 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,2,0,0,0,0|1,0,0]=3 16302 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,2,0,0,0,0|1,0,0]=3 16303 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,2,0,0,0,0|1,0,0]=3 16304 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,2,0,0,0,0|1,0,0]=3 16305 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,2,0,0,0,0|1,0,0]=3 16306 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,2,0,0,0,0|1,0,0]=3 16307 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,2,0,0,0,0|1,0,0]=3 16308 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,2,0,0,0,0|1,0,0]=3 16309 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,2,0,0,0,0|1,0,0]=3 16310 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,2,0,0,0,0|2,0,0]=4 16311 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,2,0,0,0,0|2,0,0]=4 16312 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,2,0,0,0,0|1,0,0]=3 16313 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,2,0,0,0,0|1,0,0]=3 16314 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,2,0,0,0,0|2,0,0]=4 16315 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,2,0,0,0,0|2,0,0]=4 16316 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [0,2,0,0,0,0|1,0,1]=4 16317 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,2,0,0,0,0|0,0,1]=3 16318 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,2,0,0,0,0|1,0,0]=3 16319 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,2,0,0,0,0|1,0,0]=3 16320 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,2,0,0,0,0|1,0,0]=3 16321 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,2,0,0,0,0|1,0,0]=3 16322 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,2,0,0,0,0|1,0,0]=3 16323 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,2,0,0,0,0|1,0,0]=3 16324 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,2,0,0,0,0|1,0,0]=3 16325 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,2,0,0,0,0|1,0,0]=3 16326 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,2,0,0,0,0|1,0,0]=3 16327 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,2,0,0,0,0|1,0,0]=3 16328 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,2,0,0,0,0|1,0,0]=3 16329 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,2,0,0,0,0|2,0,0]=4 16330 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,2,0,0,0,0|2,0,0]=4 16331 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,2,0,0,0,0|2,0,0]=4 16332 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,2,0,0,0,0|1,0,0]=3 16333 B11R0.3 C=CCCOC/C=C/CCCC 34a_200016272032_100000754431 [0,2,0,0,0,0|1,0,1]=4 16334 B11R0.3 C=CCCOC/C=C/CCCC 7a_200016272032_100000754431 [0,2,0,0,0,0|1,0,1]=4 16335 B11R0.3 C=CCCOCC#CCCCC 34a_200000034558_100000754431 [0,2,0,0,0,0|1,0,1]=4 16336 B11R0.3 C=CCCOCC#CCCCC 7a_200000034558_100000754431 [0,2,0,0,0,0|1,0,1]=4 16337 B11R0.3 C=CCCOCCC#CCCC 34a_100000042726_100000754431 [0,2,0,0,0,0|1,0,1]=4 16338 B11R0.3 C=CCCOCCC#CCCC 7a_100000042726_100000754431 [0,2,0,0,0,0|1,0,1]=4 16339 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,2,0,0,0,0|1,0,1]=4 16340 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,2,0,0,0,0|1,0,1]=4 16341 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,2,0,0,0,0|1,0,0]=3 16342 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,2,0,0,0,0|1,0,0]=3 16343 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,2,0,0,0,0|1,0,0]=3 16344 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,2,0,0,0,0|1,0,0]=3 16345 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,2,0,0,0,0|1,0,0]=3 16346 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,2,0,0,0,0|1,0,0]=3 16347 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,2,0,0,0,0|1,0,0]=3 16348 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,2,0,0,0,0|1,0,0]=3 16349 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,2,0,0,0,0|1,0,0]=3 16350 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,2,0,0,0,0|1,0,0]=3 16351 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,2,0,0,0,0|1,0,0]=3 16352 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,2,0,0,0,0|1,0,0]=3 16353 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,2,0,0,0,0|1,0,0]=3 16354 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,2,0,0,0,0|1,0,0]=3 16355 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,2,0,0,0,0|1,0,0]=3 16356 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,2,0,0,0,0|1,0,0]=3 16357 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,2,0,0,0,0|2,0,0]=4 16358 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,2,0,0,0,0|2,0,0]=4 16359 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,2,0,0,0,0|2,0,0]=4 16360 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,2,0,0,0,0|2,0,0]=4 16361 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,2,0,0,0,0|1,0,0]=3 16362 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,2,0,0,0,0|1,0,0]=3 16363 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [0,2,0,0,0,0|1,0,1]=4 16364 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [0,2,0,0,0,0|1,0,1]=4 16365 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,2,0,0,0,0|0,0,1]=3 16366 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,2,0,0,0,0|0,0,1]=3 16367 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,2,0,0,0,0|1,0,0]=3 16368 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,2,0,0,0,0|1,0,0]=3 16369 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,2,0,0,0,0|1,0,0]=3 16370 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,2,0,0,0,0|1,0,0]=3 16371 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,2,0,0,0,0|1,0,0]=3 16372 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,2,0,0,0,0|1,0,0]=3 16373 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,2,0,0,0,0|1,0,0]=3 16374 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,2,0,0,0,0|1,0,0]=3 16375 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,2,0,0,0,0|2,0,0]=4 16376 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,2,0,0,0,0|2,0,0]=4 16377 B11R0.3 C=CCNCC#CCCCCC 2230a_100020586998_100009816472 [0,2,0,0,0,0|1,0,1]=4 16378 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [0,2,0,0,0,0|1,0,1]=4 16379 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,2,0,0,0,0|1,0,0]=3 16380 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,2,0,0,0,0|1,0,0]=3 16381 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,2,0,0,0,0|1,0,0]=3 16382 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,2,0,0,0,0|1,0,0]=3 16383 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,2,0,0,0,0|1,0,0]=3 16384 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,2,0,0,0,0|1,0,0]=3 16385 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,2,0,0,0,0|1,0,0]=3 16386 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,2,0,0,0,0|1,0,0]=3 16387 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,2,0,0,0,0|1,0,0]=3 16388 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,2,0,0,0,0|2,0,0]=4 16389 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,2,0,0,0,0|2,0,0]=4 16390 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,2,0,0,0,0|2,0,0]=4 16391 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,2,0,0,0,0|2,0,0]=4 16392 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,2,0,0,0,0|2,0,0]=4 16393 B11R0.3 C=CCNCCOCCOCC 2230a_100020586998_100011211534 [0,2,0,0,0,0|2,0,0]=4 16394 B11R0.3 C=CCNCCOCCOCC 2230a_100102712874_100000210623 [0,2,0,0,0,0|2,0,0]=4 16395 B11R0.3 C=CCNCCOCCOCC 34a_100102712874_100015514636 [0,2,0,0,0,0|2,0,0]=4 16396 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,2,0,0,0,0|1,0,1]=4 16397 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,2,0,0,0,0|1,0,1]=4 16398 B11R0.3 C=CCOCC#CCCCCC 34a_200000033628_100015514636 [0,2,0,0,0,0|1,0,1]=4 16399 B11R0.3 C=CCOCC#CCCCCC 34a_200000210373_100009816472 [0,2,0,0,0,0|1,0,1]=4 16400 B11R0.3 C=CCOCC#CCCCCC 7a_200000033628_100015514636 [0,2,0,0,0,0|1,0,1]=4 16401 B11R0.3 C=CCOCC/C=C\CCCC 34a_200016286491_100015514636 [0,2,0,0,0,0|1,0,1]=4 16402 B11R0.3 C=CCOCC/C=C\CCCC 7a_200016286491_100015514636 [0,2,0,0,0,0|1,0,1]=4 16403 B11R0.3 C=CCOCCC#CCCCC 34a_100000037610_100015514636 [0,2,0,0,0,0|1,0,1]=4 16404 B11R0.3 C=CCOCCC#CCCCC 7a_100000037610_100015514636 [0,2,0,0,0,0|1,0,1]=4 16405 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,2,0,0,0,0|1,0,1]=4 16406 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,2,0,0,0,0|1,0,1]=4 16407 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,2,0,0,0,0|1,0,0]=3 16408 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,2,0,0,0,0|1,0,0]=3 16409 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,2,0,0,0,0|1,0,0]=3 16410 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,2,0,0,0,0|1,0,0]=3 16411 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,2,0,0,0,0|1,0,0]=3 16412 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,2,0,0,0,0|1,0,0]=3 16413 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,2,0,0,0,0|1,0,0]=3 16414 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,2,0,0,0,0|1,0,0]=3 16415 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,2,0,0,0,0|1,0,0]=3 16416 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,2,0,0,0,0|1,0,0]=3 16417 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,2,0,0,0,0|1,0,0]=3 16418 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,2,0,0,0,0|1,0,0]=3 16419 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [0,2,0,0,0,0|2,0,0]=4 16420 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,2,0,0,0,0|2,0,0]=4 16421 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,2,0,0,0,0|1,0,0]=3 16422 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [0,2,0,0,0,0|0,0,2]=4 16423 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,2,0,0,0,0|1,0,0]=3 16424 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,2,0,0,0,0|1,0,0]=3 16425 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,2,0,0,0,0|1,0,0]=3 16426 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,2,0,0,0,0|1,0,0]=3 16427 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [0,2,0,0,0,0|2,0,0]=4 16428 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [0,2,0,0,0,0|2,0,0]=4 16429 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,2,0,0,0,0|2,0,0]=4 16430 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,2,0,0,0,0|2,0,0]=4 16431 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,2,0,0,0,0|2,0,0]=4 16432 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,2,0,0,0,0|2,0,0]=4 16433 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [0,2,0,0,0,0|2,0,0]=4 16434 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [0,2,0,0,0,0|2,0,0]=4 16435 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [0,2,0,0,0,0|2,0,0]=4 16436 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [0,2,0,0,0,0|2,0,0]=4 16437 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [0,2,0,0,0,0|2,0,0]=4 16438 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [0,2,0,0,0,0|2,0,0]=4 16439 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [0,2,0,0,0,0|2,0,0]=4 16440 B11R0.3 C=CCOCCOCCSCC 34a_100000037705_100000757381 [0,2,0,0,0,0|2,0,0]=4 16441 B11R0.3 C=CCOCCOCCSCC 7a_100000037705_100000757381 [0,2,0,0,0,0|2,0,0]=4 16442 B11R0.3 C=CCSCC#CCCCCC 62a_100000210623_100009816472 [0,2,0,0,0,0|1,0,1]=4 16443 B11R0.3 C=CCSCC#CCCCCC 62a_100009816472_100000210623 [0,2,0,0,0,0|1,0,1]=4 16444 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [0,2,0,0,0,0|1,0,1]=4 16445 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [0,2,0,0,0,0|1,0,1]=4 16446 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,2,0,0,0,0|1,0,0]=3 16447 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,2,0,0,0,0|1,0,0]=3 16448 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,2,0,0,0,0|1,0,0]=3 16449 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,2,0,0,0,0|1,0,0]=3 16450 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,2,0,0,0,0|1,0,0]=3 16451 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,2,0,0,0,0|1,0,0]=3 16452 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,2,0,0,0,0|2,0,0]=4 16453 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,2,0,0,0,0|2,0,0]=4 16454 B11R0.3 C=CCSCCOCCOCC 62a_100000210623_100011211534 [0,2,0,0,0,0|2,0,0]=4 16455 B11R0.3 C=CCSCCOCCOCC 62a_100011211534_100000210623 [0,2,0,0,0,0|2,0,0]=4 16456 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,2,0,0,0,0|1,0,0]=3 16457 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,2,0,0,0,0|1,0,0]=3 16458 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,2,0,0,0,0|2,0,0]=4 16459 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,2,0,0,0,0|2,0,0]=4 16460 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,2,0,0,0,0|2,0,0]=4 16461 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,2,0,0,0,0|2,0,0]=4 16462 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,2,0,0,0,0|2,0,0]=4 16463 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,2,0,0,0,0|2,0,0]=4 16464 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,2,0,0,0,0|2,0,0]=4 16465 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,2,0,0,0,0|2,0,0]=4 16466 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [0,2,0,0,0,0|0,0,2]=4 16467 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,2,0,0,0,0|1,0,0]=3 16468 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,2,0,0,0,0|1,0,0]=3 16469 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,2,0,0,0,0|2,0,0]=4 16470 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,2,0,0,0,0|2,0,0]=4 16471 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,2,0,0,0,0|2,0,0]=4 16472 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,2,0,0,0,0|2,0,0]=4 16473 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,2,0,0,0,0|2,0,0]=4 16474 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,2,0,0,0,0|2,0,0]=4 16475 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [0,2,0,0,0,0|2,0,0]=4 16476 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [0,2,0,0,0,0|2,0,0]=4 16477 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [0,2,0,0,0,0|2,0,0]=4 16478 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [0,2,0,0,0,0|2,0,0]=4 16479 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,2,0,0,0,0|1,0,0]=3 16480 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 16481 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 16482 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [0,2,0,0,0,0|2,0,0]=4 16483 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [0,2,0,0,0,0|2,0,0]=4 16484 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 16485 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 16486 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [0,2,0,0,0,0|2,0,0]=4 16487 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 16488 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 16489 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,2,0,0,0,0|1,0,0]=3 16490 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,2,0,0,0,0|1,0,0]=3 16491 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,2,0,0,0,0|1,0,0]=3 16492 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 16493 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 16494 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,2,0,0,0,0|2,0,0]=4 16495 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 16496 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 16497 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 16498 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,2,0,0,0,0|2,0,0]=4 16499 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,2,0,0,0,0|2,0,0]=4 16500 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,2,0,0,0,0|2,0,0]=4 16501 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,2,0,0,0,0|2,0,0]=4 16502 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,2,0,0,0,0|2,0,0]=4 16503 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,2,0,0,0,0|2,0,0]=4 16504 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,2,0,0,0,0|2,0,0]=4 16505 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,2,0,0,0,0|2,0,0]=4 16506 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,2,0,0,0,0|2,0,0]=4 16507 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,2,0,0,0,0|2,0,0]=4 16508 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,2,0,0,0,0|2,0,0]=4 16509 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,2,0,0,0,0|2,0,0]=4 16510 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,2,0,0,0,0|2,0,0]=4 16511 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,2,0,0,0,0|2,0,0]=4 16512 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,2,0,0,0,0|2,0,0]=4 16513 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,2,0,0,0,0|2,0,0]=4 16514 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,2,0,0,0,0|2,0,0]=4 16515 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,2,0,0,0,0|2,0,0]=4 16516 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [0,2,0,0,0,0|0,0,2]=4 16517 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [0,2,0,0,0,0|0,0,2]=4 16518 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,2,0,0,0,0|1,0,0]=3 16519 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,2,0,0,0,0|1,0,0]=3 16520 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,2,0,0,0,0|2,0,0]=4 16521 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,2,0,0,0,0|2,0,0]=4 16522 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,2,0,0,0,0|2,0,0]=4 16523 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 16524 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,2,0,0,0,0|2,0,0]=4 16525 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,2,0,0,0,0|2,0,0]=4 16526 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [0,2,0,0,0,0|2,0,0]=4 16527 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [0,2,0,0,0,0|2,0,0]=4 16528 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,2,0,0,0,0|2,0,0]=4 16529 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,2,0,0,0,0|2,0,0]=4 16530 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,2,0,0,0,0|2,0,0]=4 16531 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,2,0,0,0,0|2,0,0]=4 16532 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,2,0,0,0,0|1,0,1]=4 16533 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [0,2,0,0,0,0|0,0,1]=3 16534 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,2,0,0,0,0|1,0,1]=4 16535 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,2,0,0,0,0|1,0,1]=4 16536 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,2,0,0,0,0|1,0,1]=4 16537 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,2,0,0,0,0|1,0,1]=4 16538 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,2,0,0,0,0|1,0,1]=4 16539 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,2,0,0,0,0|1,0,1]=4 16540 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [0,2,0,0,0,0|0,0,1]=3 16541 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [0,2,0,0,0,0|0,0,1]=3 16542 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,2,0,0,0,0|1,0,1]=4 16543 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,2,0,0,0,0|1,0,1]=4 16544 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,2,0,0,0,0|1,0,1]=4 16545 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,2,0,0,0,0|1,0,1]=4 16546 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,2,0,0,0,0|1,0,1]=4 16547 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,2,0,0,0,0|1,0,1]=4 16548 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,2,0,0,0,0|1,0,1]=4 16549 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,2,0,0,0,0|0,0,1]=3 16550 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,2,0,0,0,0|0,0,1]=3 16551 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 16552 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 16553 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,2,0,0,0,0|1,0,1]=4 16554 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,2,0,0,0,0|0,0,1]=3 16555 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,2,0,0,0,0|1,0,1]=4 16556 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,2,0,0,0,0|1,0,1]=4 16557 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,2,0,0,0,0|1,0,1]=4 16558 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,2,0,0,0,0|1,0,1]=4 16559 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,2,0,0,0,0|0,0,1]=3 16560 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,2,0,0,0,0|0,0,1]=3 16561 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,2,0,0,0,0|1,0,1]=4 16562 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,2,0,0,0,0|1,0,1]=4 16563 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,2,0,0,0,0|1,0,1]=4 16564 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,2,0,0,0,0|1,0,1]=4 16565 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,2,0,0,0,0|1,0,1]=4 16566 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,2,0,0,0,0|1,0,1]=4 16567 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,2,0,0,0,0|0,0,1]=3 16568 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,2,0,0,0,0|0,0,1]=3 16569 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,2,0,0,0,0|1,0,1]=4 16570 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,2,0,0,0,0|1,0,1]=4 16571 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [0,2,0,0,0,0|1,0,1]=4 16572 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,2,0,0,0,0|1,0,0]=3 16573 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,2,0,0,0,0|1,0,1]=4 16574 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,2,0,0,0,0|1,0,1]=4 16575 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,2,0,0,0,0|1,0,1]=4 16576 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [0,2,0,0,0,0|1,0,1]=4 16577 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [0,2,0,0,0,0|1,0,1]=4 16578 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,2,0,0,0,0|1,0,0]=3 16579 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,2,0,0,0,0|1,0,1]=4 16580 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,2,0,0,0,0|1,0,1]=4 16581 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,2,0,0,0,0|1,0,1]=4 16582 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,2,0,0,0,0|1,0,1]=4 16583 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [0,2,0,0,0,0|1,0,1]=4 16584 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [0,2,0,0,0,0|1,0,1]=4 16585 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [0,2,0,0,0,0|1,0,1]=4 16586 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,2,0,0,0,0|1,0,1]=4 16587 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,2,0,0,0,0|1,0,1]=4 16588 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,2,0,0,0,0|1,0,0]=3 16589 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,2,0,0,0,0|1,0,0]=3 16590 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,2,0,0,0,0|1,0,1]=4 16591 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,2,0,0,0,0|1,0,1]=4 16592 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,2,0,0,0,0|1,0,1]=4 16593 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,2,0,0,0,0|1,0,1]=4 16594 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,2,0,0,0,0|1,0,1]=4 16595 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [0,2,0,0,0,0|1,0,1]=4 16596 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [0,2,0,0,0,0|1,0,1]=4 16597 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [0,2,0,0,0,0|1,0,1]=4 16598 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [0,2,0,0,0,0|1,0,1]=4 16599 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [0,2,0,0,0,0|1,0,1]=4 16600 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,2,0,0,0,0|0,0,1]=3 16601 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,2,0,0,0,0|0,0,1]=3 16602 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,2,0,0,0,0|1,0,0]=3 16603 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,2,0,0,0,0|1,0,0]=3 16604 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,2,0,0,0,0|1,0,1]=4 16605 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,2,0,0,0,0|1,0,1]=4 16606 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,2,0,0,0,0|1,0,1]=4 16607 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,2,0,0,0,0|1,0,1]=4 16608 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [0,2,0,0,0,0|1,0,1]=4 16609 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [0,2,0,0,0,0|1,0,1]=4 16610 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,2,0,0,0,0|2,0,0]=4 16611 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,2,0,0,0,0|2,0,0]=4 16612 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,2,0,0,0,0|2,0,0]=4 16613 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,2,0,0,0,0|2,0,0]=4 16614 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,2,0,0,0,0|2,0,0]=4 16615 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,2,0,0,0,0|2,0,0]=4 16616 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,2,0,0,0,0|2,0,0]=4 16617 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,2,0,0,0,0|2,0,0]=4 16618 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,2,0,0,0,0|0,0,1]=3 16619 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [0,2,0,0,0,0|0,0,1]=3 16620 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [0,2,0,0,0,0|0,0,1]=3 16621 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,2,0,0,0,0|0,0,1]=3 16622 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [0,2,0,0,0,0|0,0,1]=3 16623 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,2,0,0,0,0|2,0,0]=4 16624 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,2,0,0,0,0|2,0,0]=4 16625 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,2,0,0,0,0|2,0,0]=4 16626 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,2,0,0,0,0|2,0,0]=4 16627 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [0,2,0,0,0,0|0,0,1]=3 16628 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [0,2,0,0,0,0|0,0,1]=3 16629 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,2,0,0,0,0|2,0,0]=4 16630 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,2,0,0,0,0|2,0,0]=4 16631 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,2,0,0,0,0|2,0,0]=4 16632 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,2,0,0,0,0|2,0,0]=4 16633 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [0,2,0,0,0,0|0,0,1]=3 16634 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [0,2,0,0,0,0|0,0,1]=3 16635 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,2,0,0,0,0|0,0,1]=3 16636 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,2,0,0,0,0|0,0,1]=3 16637 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,2,0,0,0,0|2,0,0]=4 16638 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,2,0,0,0,0|2,0,0]=4 16639 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,2,0,0,0,0|2,0,0]=4 16640 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,2,0,0,0,0|2,0,0]=4 16641 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [0,2,0,0,0,0|0,0,1]=3 16642 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [0,2,0,0,0,0|0,0,1]=3 16643 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [0,2,0,0,0,0|0,0,1]=3 16644 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [0,2,0,0,0,0|0,0,1]=3 16645 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,2,0,0,0,0|2,0,0]=4 16646 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,2,0,0,0,0|2,0,0]=4 16647 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,2,0,0,0,0|2,0,0]=4 16648 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,2,0,0,0,0|2,0,0]=4 16649 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,2,0,0,0,0|2,0,0]=4 16650 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,2,0,0,0,0|2,0,0]=4 16651 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,2,0,0,0,0|2,0,0]=4 16652 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,2,0,0,0,0|2,0,0]=4 16653 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,2,0,0,0,0|1,0,1]=4 16654 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,2,0,0,0,0|1,0,1]=4 16655 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,2,0,0,0,0|1,0,1]=4 16656 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,2,0,0,0,0|1,0,1]=4 16657 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,2,0,0,0,0|1,0,1]=4 16658 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,2,0,0,0,0|1,0,1]=4 16659 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,2,0,0,0,0|1,0,1]=4 16660 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,2,0,0,0,0|0,0,2]=4 16661 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,2,0,0,0,0|0,0,2]=4 16662 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,2,0,0,0,0|0,0,2]=4 16663 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,2,0,0,0,0|0,0,2]=4 16664 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,2,0,0,0,0|0,0,2]=4 16665 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,2,0,0,0,0|0,1,1]=4 16666 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,2,0,0,0,0|0,1,1]=4 16667 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,2,0,0,0,0|1,0,1]=4 16668 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,2,0,0,0,0|1,0,1]=4 16669 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,2,0,0,0,0|1,0,1]=4 16670 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,2,0,0,0,0|1,0,1]=4 16671 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,2,0,0,0,0|0,0,2]=4 16672 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,2,0,0,0,0|0,0,2]=4 16673 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,2,0,0,0,0|0,0,2]=4 16674 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,2,0,0,0,0|0,0,2]=4 16675 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,2,0,0,0,0|0,0,2]=4 16676 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,2,0,0,0,0|0,1,1]=4 16677 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,2,0,0,0,0|0,1,1]=4 16678 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,2,0,0,0,0|1,0,1]=4 16679 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,2,0,0,0,0|0,0,0]=2 16680 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,2,0,0,0,0|0,0,0]=2 16681 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,2,0,0,0,0|1,0,1]=4 16682 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,2,0,0,0,0|1,0,1]=4 16683 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,2,0,0,0,0|1,0,1]=4 16684 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,2,0,0,0,0|1,0,1]=4 16685 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,2,0,0,0,0|1,0,1]=4 16686 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 16687 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,2,0,0,0,0|0,0,2]=4 16688 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 16689 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,2,0,0,0,0|0,0,2]=4 16690 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,2,0,0,0,0|0,0,2]=4 16691 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,2,0,0,0,0|0,1,1]=4 16692 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,2,0,0,0,0|0,1,1]=4 16693 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,2,0,0,0,0|1,0,1]=4 16694 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,2,0,0,0,0|0,0,0]=2 16695 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,2,0,0,0,0|0,0,0]=2 16696 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,2,0,0,0,0|1,0,1]=4 16697 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,2,0,0,0,0|1,0,1]=4 16698 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,2,0,0,0,0|1,0,1]=4 16699 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,2,0,0,0,0|1,0,1]=4 16700 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,2,0,0,0,0|1,0,1]=4 16701 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,2,0,0,0,0|1,0,1]=4 16702 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,2,0,0,0,0|1,0,1]=4 16703 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,2,0,0,0,0|0,0,2]=4 16704 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,2,0,0,0,0|0,0,2]=4 16705 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,2,0,0,0,0|0,1,1]=4 16706 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,2,0,0,0,0|1,0,1]=4 16707 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,2,0,0,0,0|1,0,1]=4 16708 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,2,0,0,0,0|0,0,0]=2 16709 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,2,0,0,0,0|0,0,0]=2 16710 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,2,0,0,0,0|1,0,1]=4 16711 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,2,0,0,0,0|1,0,1]=4 16712 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,2,0,0,0,0|1,0,1]=4 16713 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,2,0,0,0,0|1,0,1]=4 16714 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,2,0,0,0,0|0,0,2]=4 16715 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,2,0,0,0,0|0,0,2]=4 16716 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,2,0,0,0,0|0,0,2]=4 16717 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,2,0,0,0,0|0,0,2]=4 16718 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,2,0,0,0,0|0,1,1]=4 16719 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,2,0,0,0,0|0,1,1]=4 16720 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,2,0,0,0,0|1,0,1]=4 16721 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,2,0,0,0,0|1,0,1]=4 16722 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,2,0,0,0,0|1,0,1]=4 16723 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,2,0,0,0,0|1,0,1]=4 16724 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,2,0,0,0,0|1,0,1]=4 16725 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,2,0,0,0,0|1,0,1]=4 16726 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,2,0,0,0,0|1,0,1]=4 16727 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,2,0,0,0,0|0,0,2]=4 16728 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,2,0,0,0,0|0,0,2]=4 16729 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,2,0,0,0,0|0,0,2]=4 16730 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,2,0,0,0,0|0,1,1]=4 16731 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,2,0,0,0,0|0,1,1]=4 16732 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,2,0,0,0,0|1,0,1]=4 16733 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,2,0,0,0,0|1,0,1]=4 16734 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,2,0,0,0,0|1,0,1]=4 16735 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,2,0,0,0,0|1,0,1]=4 16736 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,2,0,0,0,0|1,0,1]=4 16737 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,2,0,0,0,0|1,0,1]=4 16738 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,2,0,0,0,0|1,0,1]=4 16739 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,2,0,0,0,0|1,0,1]=4 16740 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,2,0,0,0,0|1,0,1]=4 16741 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,2,0,0,0,0|1,0,1]=4 16742 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,2,0,0,0,0|1,0,1]=4 16743 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,2,0,0,0,0|0,0,2]=4 16744 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,2,0,0,0,0|0,0,2]=4 16745 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,2,0,0,0,0|0,0,2]=4 16746 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,2,0,0,0,0|0,0,2]=4 16747 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,2,0,0,0,0|0,0,2]=4 16748 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,2,0,0,0,0|0,0,2]=4 16749 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,2,0,0,0,0|0,1,1]=4 16750 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,2,0,0,0,0|0,1,1]=4 16751 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,2,0,0,0,0|0,1,1]=4 16752 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,2,0,0,0,0|0,1,1]=4 16753 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,2,0,0,0,0|1,0,1]=4 16754 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,2,0,0,0,0|1,0,1]=4 16755 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,2,0,0,0,0|1,0,1]=4 16756 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,2,0,0,0,0|1,0,1]=4 16757 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,2,0,0,0,0|1,0,1]=4 16758 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,2,0,0,0,0|1,0,1]=4 16759 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,2,0,0,0,0|0,0,2]=4 16760 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,2,0,0,0,0|0,0,2]=4 16761 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,2,0,0,0,0|0,0,2]=4 16762 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,2,0,0,0,0|0,0,2]=4 16763 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,2,0,0,0,0|0,1,1]=4 16764 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,2,0,0,0,0|0,1,1]=4 16765 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,2,0,0,0,0|1,0,1]=4 16766 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,2,0,0,0,0|1,0,1]=4 16767 B11R0.3 CCCCCCCSCSC#N 62a_100000210614_100000211825 [0,2,0,0,0,0|1,0,1]=4 16768 B11R0.3 CCCCCCCSCSC#N 62a_100000211825_100000210316 [0,2,0,0,0,0|1,0,1]=4 16769 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,2,0,0,0,0|1,0,1]=4 16770 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,2,0,0,0,0|0,0,0]=2 16771 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,2,0,0,0,0|1,0,1]=4 16772 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,2,0,0,0,0|1,0,1]=4 16773 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,2,0,0,0,0|1,0,1]=4 16774 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,2,0,0,0,0|0,0,2]=4 16775 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,2,0,0,0,0|0,0,2]=4 16776 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,2,0,0,0,0|0,0,2]=4 16777 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,2,0,0,0,0|0,0,2]=4 16778 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,2,0,0,0,0|0,0,2]=4 16779 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,2,0,0,0,0|0,1,1]=4 16780 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,2,0,0,0,0|1,0,1]=4 16781 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,2,0,0,0,0|1,0,1]=4 16782 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,2,0,0,0,0|1,0,1]=4 16783 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,2,0,0,0,0|1,0,1]=4 16784 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,2,0,0,0,0|1,0,1]=4 16785 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,2,0,0,0,0|1,0,1]=4 16786 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,2,0,0,0,0|0,0,0]=2 16787 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,2,0,0,0,0|1,0,1]=4 16788 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,2,0,0,0,0|1,0,1]=4 16789 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,2,0,0,0,0|1,0,1]=4 16790 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,2,0,0,0,0|1,0,1]=4 16791 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,2,0,0,0,0|1,0,1]=4 16792 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,2,0,0,0,0|1,0,1]=4 16793 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,2,0,0,0,0|1,0,1]=4 16794 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,2,0,0,0,0|1,0,1]=4 16795 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,2,0,0,0,0|1,0,1]=4 16796 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,2,0,0,0,0|1,0,1]=4 16797 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,2,0,0,0,0|1,0,1]=4 16798 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,2,0,0,0,0|1,0,1]=4 16799 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,2,0,0,0,0|1,0,1]=4 16800 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,2,0,0,0,0|0,0,2]=4 16801 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,2,0,0,0,0|0,0,2]=4 16802 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,2,0,0,0,0|1,0,1]=4 16803 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,2,0,0,0,0|0,0,2]=4 16804 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,2,0,0,0,0|0,0,2]=4 16805 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,2,0,0,0,0|0,0,2]=4 16806 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,2,0,0,0,0|0,1,1]=4 16807 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,2,0,0,0,0|0,1,1]=4 16808 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,2,0,0,0,0|1,0,1]=4 16809 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,2,0,0,0,0|1,0,1]=4 16810 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,2,0,0,0,0|1,0,1]=4 16811 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,2,0,0,0,0|1,0,1]=4 16812 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,2,0,0,0,0|1,0,1]=4 16813 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,2,0,0,0,0|1,0,1]=4 16814 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,2,0,0,0,0|1,0,1]=4 16815 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,2,0,0,0,0|1,0,1]=4 16816 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,2,0,0,0,0|1,0,1]=4 16817 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,2,0,0,0,0|1,0,1]=4 16818 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,2,0,0,0,0|1,0,1]=4 16819 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,2,0,0,0,0|1,0,1]=4 16820 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,2,0,0,0,0|1,0,1]=4 16821 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,2,0,0,0,0|1,0,1]=4 16822 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,2,0,0,0,0|0,0,0]=2 16823 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,2,0,0,0,0|0,0,0]=2 16824 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,2,0,0,0,0|1,0,1]=4 16825 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,2,0,0,0,0|1,0,1]=4 16826 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,2,0,0,0,0|1,0,1]=4 16827 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,2,0,0,0,0|1,0,1]=4 16828 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,2,0,0,0,0|0,0,2]=4 16829 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,2,0,0,0,0|0,0,2]=4 16830 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,2,0,0,0,0|0,0,2]=4 16831 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,2,0,0,0,0|0,0,2]=4 16832 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,2,0,0,0,0|1,0,1]=4 16833 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,2,0,0,0,0|1,0,1]=4 16834 B11R0.3 CCCCCCSCCSC#N 62a_100000034367_100000210757 [0,2,0,0,0,0|1,0,1]=4 16835 B11R0.3 CCCCCCSCCSC#N 62a_100000210314_100000034367 [0,2,0,0,0,0|1,0,1]=4 16836 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,2,0,0,0,0|1,0,1]=4 16837 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,2,0,0,0,0|1,0,1]=4 16838 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,2,0,0,0,0|1,0,1]=4 16839 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,2,0,0,0,0|0,0,0]=2 16840 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,2,0,0,0,0|1,0,1]=4 16841 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,2,0,0,0,0|0,0,2]=4 16842 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,2,0,0,0,0|0,0,2]=4 16843 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,2,0,0,0,0|0,0,2]=4 16844 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,2,0,0,0,0|0,0,2]=4 16845 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,2,0,0,0,0|2,0,0]=4 16846 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,2,0,0,0,0|1,0,1]=4 16847 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,2,0,0,0,0|1,0,1]=4 16848 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,2,0,0,0,0|1,0,1]=4 16849 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,2,0,0,0,0|1,0,1]=4 16850 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,2,0,0,0,0|0,0,0]=2 16851 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,2,0,0,0,0|1,0,1]=4 16852 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,2,0,0,0,0|1,0,1]=4 16853 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,2,0,0,0,0|1,0,1]=4 16854 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,2,0,0,0,0|1,0,1]=4 16855 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,2,0,0,0,0|1,0,1]=4 16856 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,2,0,0,0,0|0,0,2]=4 16857 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,2,0,0,0,0|0,0,2]=4 16858 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,2,0,0,0,0|0,0,2]=4 16859 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,2,0,0,0,0|0,0,2]=4 16860 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,2,0,0,0,0|2,0,0]=4 16861 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,2,0,0,0,0|1,0,1]=4 16862 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,2,0,0,0,0|0,0,2]=4 16863 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,2,0,0,0,0|1,0,1]=4 16864 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,2,0,0,0,0|2,0,0]=4 16865 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,2,0,0,0,0|1,0,1]=4 16866 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,2,0,0,0,0|0,0,0]=2 16867 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,2,0,0,0,0|1,0,1]=4 16868 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,2,0,0,0,0|1,0,1]=4 16869 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,2,0,0,0,0|1,0,1]=4 16870 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,2,0,0,0,0|1,0,1]=4 16871 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,2,0,0,0,0|1,0,1]=4 16872 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,2,0,0,0,0|1,0,1]=4 16873 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,2,0,0,0,0|1,0,1]=4 16874 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,2,0,0,0,0|1,0,1]=4 16875 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,2,0,0,0,0|1,0,1]=4 16876 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,2,0,0,0,0|0,0,2]=4 16877 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,2,0,0,0,0|0,0,2]=4 16878 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,2,0,0,0,0|0,0,2]=4 16879 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,2,0,0,0,0|0,0,2]=4 16880 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,2,0,0,0,0|0,0,2]=4 16881 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,2,0,0,0,0|0,1,1]=4 16882 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,2,0,0,0,0|0,1,1]=4 16883 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,2,0,0,0,0|1,0,1]=4 16884 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,2,0,0,0,0|1,0,1]=4 16885 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,2,0,0,0,0|1,0,1]=4 16886 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,2,0,0,0,0|1,0,1]=4 16887 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,2,0,0,0,0|1,0,1]=4 16888 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,2,0,0,0,0|1,0,1]=4 16889 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,2,0,0,0,0|1,0,1]=4 16890 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,2,0,0,0,0|1,0,1]=4 16891 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,2,0,0,0,0|0,0,0]=2 16892 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,2,0,0,0,0|0,0,0]=2 16893 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,2,0,0,0,0|1,0,1]=4 16894 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,2,0,0,0,0|1,0,1]=4 16895 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,2,0,0,0,0|1,0,1]=4 16896 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,2,0,0,0,0|1,0,1]=4 16897 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,2,0,0,0,0|1,0,1]=4 16898 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,2,0,0,0,0|1,0,1]=4 16899 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,2,0,0,0,0|1,0,1]=4 16900 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,2,0,0,0,0|1,0,1]=4 16901 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,2,0,0,0,0|1,0,1]=4 16902 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,2,0,0,0,0|1,0,1]=4 16903 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,2,0,0,0,0|1,0,1]=4 16904 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,2,0,0,0,0|1,0,1]=4 16905 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,2,0,0,0,0|1,0,1]=4 16906 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,2,0,0,0,0|1,0,1]=4 16907 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,2,0,0,0,0|1,0,1]=4 16908 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,2,0,0,0,0|1,0,1]=4 16909 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,2,0,0,0,0|1,0,1]=4 16910 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,2,0,0,0,0|0,0,2]=4 16911 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,2,0,0,0,0|0,0,2]=4 16912 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,2,0,0,0,0|0,0,2]=4 16913 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,2,0,0,0,0|0,0,2]=4 16914 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,2,0,0,0,0|2,0,0]=4 16915 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,2,0,0,0,0|1,0,1]=4 16916 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,2,0,0,0,0|1,0,1]=4 16917 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,2,0,0,0,0|1,0,1]=4 16918 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,2,0,0,0,0|1,0,1]=4 16919 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,2,0,0,0,0|1,0,1]=4 16920 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,2,0,0,0,0|0,0,0]=2 16921 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,2,0,0,0,0|0,0,0]=2 16922 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,2,0,0,0,0|1,0,1]=4 16923 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,2,0,0,0,0|1,0,1]=4 16924 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,2,0,0,0,0|0,0,2]=4 16925 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,2,0,0,0,0|0,0,2]=4 16926 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,2,0,0,0,0|0,0,2]=4 16927 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,2,0,0,0,0|0,0,2]=4 16928 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,2,0,0,0,0|1,0,1]=4 16929 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,2,0,0,0,0|1,0,1]=4 16930 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,2,0,0,0,0|1,0,1]=4 16931 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,2,0,0,0,0|1,0,1]=4 16932 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,2,0,0,0,0|1,0,1]=4 16933 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,2,0,0,0,0|1,0,1]=4 16934 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,2,0,0,0,0|0,0,2]=4 16935 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,2,0,0,0,0|0,0,2]=4 16936 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,2,0,0,0,0|1,0,1]=4 16937 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,2,0,0,0,0|1,0,1]=4 16938 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,2,0,0,0,0|2,0,0]=4 16939 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,2,0,0,0,0|2,0,0]=4 16940 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,2,0,0,0,0|1,0,1]=4 16941 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,2,0,0,0,0|1,0,1]=4 16942 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,2,0,0,0,0|0,0,0]=2 16943 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,2,0,0,0,0|0,0,0]=2 16944 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,2,0,0,0,0|1,0,1]=4 16945 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,2,0,0,0,0|1,0,1]=4 16946 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,2,0,0,0,0|0,0,2]=4 16947 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,2,0,0,0,0|0,0,2]=4 16948 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,2,0,0,0,0|0,0,2]=4 16949 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,2,0,0,0,0|0,0,2]=4 16950 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,2,0,0,0,0|0,0,2]=4 16951 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,2,0,0,0,0|0,0,2]=4 16952 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,2,0,0,0,0|2,0,0]=4 16953 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,2,0,0,0,0|1,0,1]=4 16954 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,2,0,0,0,0|1,0,1]=4 16955 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,2,0,0,0,0|1,0,1]=4 16956 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,2,0,0,0,0|1,0,1]=4 16957 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,2,0,0,0,0|1,0,1]=4 16958 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,2,0,0,0,0|1,0,1]=4 16959 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,2,0,0,0,0|2,0,0]=4 16960 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,2,0,0,0,0|2,0,0]=4 16961 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,2,0,0,0,0|2,0,0]=4 16962 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,2,0,0,0,0|2,0,0]=4 16963 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,2,0,0,0,0|1,0,1]=4 16964 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,2,0,0,0,0|1,0,1]=4 16965 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,2,0,0,0,0|0,0,0]=2 16966 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,2,0,0,0,0|1,0,1]=4 16967 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,2,0,0,0,0|1,0,1]=4 16968 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,2,0,0,0,0|1,0,1]=4 16969 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,2,0,0,0,0|1,0,1]=4 16970 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,2,0,0,0,0|1,0,1]=4 16971 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,2,0,0,0,0|1,0,1]=4 16972 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,2,0,0,0,0|1,0,1]=4 16973 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,2,0,0,0,0|1,0,1]=4 16974 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,2,0,0,0,0|1,0,1]=4 16975 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,2,0,0,0,0|0,0,2]=4 16976 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,2,0,0,0,0|0,0,2]=4 16977 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,2,0,0,0,0|1,0,1]=4 16978 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,2,0,0,0,0|1,0,1]=4 16979 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,2,0,0,0,0|1,0,1]=4 16980 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,2,0,0,0,0|1,0,1]=4 16981 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,2,0,0,0,0|1,0,1]=4 16982 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,2,0,0,0,0|1,0,1]=4 16983 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,2,0,0,0,0|0,0,0]=2 16984 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,2,0,0,0,0|0,0,0]=2 16985 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,2,0,0,0,0|1,0,1]=4 16986 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,2,0,0,0,0|1,0,1]=4 16987 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,2,0,0,0,0|1,0,1]=4 16988 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,2,0,0,0,0|1,0,1]=4 16989 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 16990 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 16991 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,2,0,0,0,0|2,0,0]=4 16992 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,2,0,0,0,0|2,0,0]=4 16993 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,2,0,0,0,0|2,0,0]=4 16994 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,2,0,0,0,0|1,0,1]=4 16995 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,2,0,0,0,0|0,0,0]=2 16996 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,2,0,0,0,0|0,0,0]=2 16997 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,2,0,0,0,0|1,0,1]=4 16998 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,2,0,0,0,0|1,0,1]=4 16999 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,2,0,0,0,0|1,0,1]=4 17000 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,2,0,0,0,0|1,0,1]=4 17001 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,2,0,0,0,0|0,0,2]=4 17002 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,2,0,0,0,0|0,0,2]=4 17003 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,2,0,0,0,0|2,0,0]=4 17004 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,2,0,0,0,0|1,0,1]=4 17005 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,2,0,0,0,0|1,0,1]=4 17006 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,2,0,0,0,0|2,0,0]=4 17007 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,2,0,0,0,0|2,0,0]=4 17008 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,2,0,0,0,0|1,0,1]=4 17009 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,2,0,0,0,0|1,0,1]=4 17010 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,2,0,0,0,0|1,0,1]=4 17011 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,2,0,0,0,0|1,0,1]=4 17012 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,2,0,0,0,0|1,0,1]=4 17013 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,2,0,0,0,0|1,0,1]=4 17014 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,2,0,0,0,0|1,0,1]=4 17015 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,2,0,0,0,0|1,0,1]=4 17016 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,2,0,0,0,0|1,0,1]=4 17017 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,2,0,0,0,0|1,0,1]=4 17018 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,2,0,0,0,0|1,0,1]=4 17019 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,2,0,0,0,0|0,0,2]=4 17020 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,2,0,0,0,0|0,0,2]=4 17021 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,2,0,0,0,0|2,0,0]=4 17022 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,2,0,0,0,0|2,0,0]=4 17023 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,2,0,0,0,0|2,0,0]=4 17024 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,2,0,0,0,0|2,0,0]=4 17025 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,2,0,0,0,0|2,0,0]=4 17026 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,2,0,0,0,0|2,0,0]=4 17027 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,2,0,0,0,0|2,0,0]=4 17028 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,2,0,0,0,0|2,0,0]=4 17029 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,2,0,0,0,0|2,0,0]=4 17030 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,2,0,0,0,0|2,0,0]=4 17031 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,2,0,0,0,0|2,0,0]=4 17032 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,2,0,0,0,0|2,0,0]=4 17033 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,2,0,0,0,0|2,0,0]=4 17034 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,2,0,0,0,0|2,0,0]=4 17035 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,2,0,0,0,0|2,0,0]=4 17036 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,2,0,0,0,0|2,0,0]=4 17037 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,2,0,0,0,0|2,0,0]=4 17038 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,2,0,0,0,0|1,0,1]=4 17039 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,2,0,0,0,0|1,0,1]=4 17040 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,2,0,0,0,0|1,0,1]=4 17041 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,2,0,0,0,0|1,0,1]=4 17042 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,2,0,0,0,0|1,0,1]=4 17043 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,2,0,0,0,0|1,0,1]=4 17044 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,2,0,0,0,0|1,0,1]=4 17045 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,2,0,0,0,0|1,0,1]=4 17046 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,2,0,0,0,0|0,0,2]=4 17047 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,2,0,0,0,0|0,0,2]=4 17048 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,2,0,0,0,0|2,0,0]=4 17049 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,2,0,0,0,0|2,0,0]=4 17050 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,2,0,0,0,0|2,0,0]=4 17051 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,2,0,0,0,0|2,0,0]=4 17052 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,2,0,0,0,0|0,0,2]=4 17053 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,2,0,0,0,0|0,0,2]=4 17054 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,2,0,0,0,0|2,0,0]=4 17055 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,2,0,0,0,0|2,0,0]=4 17056 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,2,0,0,0,0|1,0,1]=4 17057 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,2,0,0,0,0|1,0,1]=4 17058 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,2,0,0,0,0|1,0,1]=4 17059 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,2,0,0,0,0|1,0,1]=4 17060 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,2,0,0,0,0|1,0,1]=4 17061 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,2,0,0,0,0|2,0,0]=4 17062 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,2,0,0,0,0|2,0,0]=4 17063 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,2,0,0,0,0|2,0,0]=4 17064 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,2,0,0,0,0|1,0,1]=4 17065 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,2,0,0,0,0|1,0,1]=4 17066 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,2,0,0,0,0|0,0,0]=2 17067 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,2,0,0,0,0|0,0,0]=2 17068 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,2,0,0,0,0|1,0,1]=4 17069 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,2,0,0,0,0|1,0,1]=4 17070 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,2,0,0,0,0|0,0,2]=4 17071 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,2,0,0,0,0|0,0,2]=4 17072 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,2,0,0,0,0|2,0,0]=4 17073 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,2,0,0,0,0|2,0,0]=4 17074 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,2,0,0,0,0|1,0,1]=4 17075 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,2,0,0,0,0|1,0,1]=4 17076 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,2,0,0,0,0|0,0,0]=2 17077 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,2,0,0,0,0|0,0,0]=2 17078 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,2,0,0,0,0|1,0,1]=4 17079 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,2,0,0,0,0|1,0,1]=4 17080 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,2,0,0,0,0|0,0,2]=4 17081 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,2,0,0,0,0|0,0,2]=4 17082 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,2,0,0,0,0|1,0,1]=4 17083 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,2,0,0,0,0|1,0,1]=4 17084 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,2,0,0,0,0|0,0,2]=4 17085 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,2,0,0,0,0|2,0,0]=4 17086 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,2,0,0,0,0|2,0,0]=4 17087 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,2,0,0,0,0|1,0,1]=4 17088 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,2,0,0,0,0|1,0,1]=4 17089 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,2,0,0,0,0|1,0,1]=4 17090 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,2,0,0,0,0|0,0,2]=4 17091 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,2,0,0,0,0|0,0,2]=4 17092 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,2,0,0,0,0|2,0,0]=4 17093 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,2,0,0,0,0|2,0,0]=4 17094 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,2,0,0,0,0|2,0,0]=4 17095 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,2,0,0,0,0|2,0,0]=4 17096 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,2,0,0,0,0|2,0,0]=4 17097 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,2,0,0,0,0|2,0,0]=4 17098 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,2,0,0,0,0|0,0,2]=4 17099 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,2,0,0,0,0|0,0,2]=4 17100 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,2,0,0,0,0|0,0,2]=4 17101 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,2,0,0,0,0|0,0,2]=4 17102 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,2,0,0,0,0|2,0,0]=4 17103 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,2,0,0,0,0|2,0,0]=4 17104 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,2,0,0,0,0|1,0,1]=4 17105 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,2,0,0,0,0|1,0,1]=4 17106 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,2,0,0,0,0|1,0,1]=4 17107 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,2,0,0,0,0|0,0,2]=4 17108 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,2,0,0,0,0|0,0,2]=4 17109 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,2,0,0,0,0|0,0,2]=4 17110 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,2,0,0,0,0|0,0,2]=4 17111 B11R0.3 CCCOCCCNCCC#N 2230a_100011217757_100011215226 [0,2,0,0,0,0|1,0,1]=4 17112 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,2,0,0,0,0|1,0,1]=4 17113 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,2,0,0,0,0|1,0,1]=4 17114 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,2,0,0,0,0|0,0,2]=4 17115 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,2,0,0,0,0|0,0,2]=4 17116 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,2,0,0,0,0|2,0,0]=4 17117 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,2,0,0,0,0|2,0,0]=4 17118 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,2,0,0,0,0|2,0,0]=4 17119 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,2,0,0,0,0|2,0,0]=4 17120 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,2,0,0,0,0|1,0,1]=4 17121 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,2,0,0,0,0|2,0,0]=4 17122 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,2,0,0,0,0|1,0,1]=4 17123 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,2,0,0,0,0|0,0,0]=2 17124 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,2,0,0,0,0|1,0,1]=4 17125 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,2,0,0,0,0|1,0,1]=4 17126 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,2,0,0,0,0|0,0,2]=4 17127 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,2,0,0,0,0|0,0,2]=4 17128 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,2,0,0,0,0|0,0,2]=4 17129 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,2,0,0,0,0|0,0,2]=4 17130 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,2,0,0,0,0|2,0,0]=4 17131 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,2,0,0,0,0|2,0,0]=4 17132 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,2,0,0,0,0|2,0,0]=4 17133 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,2,0,0,0,0|2,0,0]=4 17134 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,2,0,0,0,0|1,0,1]=4 17135 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,2,0,0,0,0|0,0,0]=2 17136 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,2,0,0,0,0|1,0,1]=4 17137 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,2,0,0,0,0|1,0,1]=4 17138 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,2,0,0,0,0|1,0,1]=4 17139 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,2,0,0,0,0|1,0,1]=4 17140 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,2,0,0,0,0|1,0,1]=4 17141 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,2,0,0,0,0|1,0,1]=4 17142 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,2,0,0,0,0|1,0,1]=4 17143 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,2,0,0,0,0|1,0,1]=4 17144 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,2,0,0,0,0|1,0,1]=4 17145 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,2,0,0,0,0|0,0,2]=4 17146 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,2,0,0,0,0|0,0,2]=4 17147 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 17148 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,2,0,0,0,0|2,0,0]=4 17149 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,2,0,0,0,0|2,0,0]=4 17150 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,2,0,0,0,0|2,0,0]=4 17151 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,2,0,0,0,0|2,0,0]=4 17152 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,2,0,0,0,0|2,0,0]=4 17153 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,2,0,0,0,0|1,0,1]=4 17154 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,2,0,0,0,0|1,0,1]=4 17155 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,2,0,0,0,0|0,0,0]=2 17156 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,2,0,0,0,0|0,0,0]=2 17157 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,2,0,0,0,0|1,0,1]=4 17158 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,2,0,0,0,0|1,0,1]=4 17159 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,2,0,0,0,0|0,0,2]=4 17160 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,2,0,0,0,0|0,0,2]=4 17161 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,2,0,0,0,0|2,0,0]=4 17162 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,2,0,0,0,0|2,0,0]=4 17163 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,2,0,0,0,0|1,0,1]=4 17164 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,2,0,0,0,0|1,0,1]=4 17165 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,2,0,0,0,0|0,0,2]=4 17166 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,2,0,0,0,0|0,0,2]=4 17167 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,2,0,0,0,0|0,0,2]=4 17168 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,2,0,0,0,0|0,0,2]=4 17169 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,2,0,0,0,0|2,0,0]=4 17170 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,2,0,0,0,0|2,0,0]=4 17171 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,2,0,0,0,0|1,0,1]=4 17172 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,2,0,0,0,0|0,0,0]=2 17173 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,2,0,0,0,0|1,0,1]=4 17174 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,2,0,0,0,0|0,0,2]=4 17175 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,2,0,0,0,0|2,0,0]=4 17176 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,2,0,0,0,0|1,0,1]=4 17177 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,2,0,0,0,0|0,0,0]=2 17178 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,2,0,0,0,0|1,0,1]=4 17179 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,2,0,0,0,0|1,0,1]=4 17180 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,2,0,0,0,0|0,0,2]=4 17181 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,2,0,0,0,0|0,0,2]=4 17182 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,2,0,0,0,0|2,0,0]=4 17183 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,2,0,0,0,0|2,0,0]=4 17184 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,2,0,0,0,0|0,0,2]=4 17185 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,2,0,0,0,0|0,0,2]=4 17186 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,2,0,0,0,0|0,0,2]=4 17187 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,2,0,0,0,0|2,0,0]=4 17188 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,2,0,0,0,0|1,0,1]=4 17189 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,2,0,0,0,0|1,0,1]=4 17190 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,2,0,0,0,0|1,0,1]=4 17191 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,2,0,0,0,0|1,0,1]=4 17192 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,2,0,0,0,0|1,0,1]=4 17193 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,2,0,0,0,0|0,0,2]=4 17194 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,2,0,0,0,0|1,0,1]=4 17195 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,2,0,0,0,0|1,0,1]=4 17196 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,2,0,0,0,0|0,0,0]=2 17197 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,2,0,0,0,0|1,0,1]=4 17198 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,2,0,0,0,0|1,0,1]=4 17199 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,2,0,0,0,0|0,0,2]=4 17200 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,2,0,0,0,0|0,0,2]=4 17201 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,2,0,0,0,0|0,0,2]=4 17202 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,2,0,0,0,0|0,0,2]=4 17203 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,2,0,0,0,0|2,0,0]=4 17204 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,2,0,0,0,0|2,0,0]=4 17205 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,2,0,0,0,0|2,0,0]=4 17206 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,2,0,0,0,0|2,0,0]=4 17207 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,2,0,0,0,0|1,0,1]=4 17208 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,2,0,0,0,0|0,0,0]=2 17209 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,2,0,0,0,0|1,0,1]=4 17210 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,2,0,0,0,0|1,0,1]=4 17211 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,2,0,0,0,0|1,0,1]=4 17212 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,2,0,0,0,0|1,0,1]=4 17213 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,2,0,0,0,0|1,0,1]=4 17214 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,2,0,0,0,0|1,0,1]=4 17215 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,2,0,0,0,0|1,0,1]=4 17216 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,2,0,0,0,0|1,0,1]=4 17217 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,2,0,0,0,0|1,0,1]=4 17218 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,2,0,0,0,0|0,0,2]=4 17219 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,2,0,0,0,0|0,0,2]=4 17220 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,2,0,0,0,0|2,0,0]=4 17221 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,2,0,0,0,0|2,0,0]=4 17222 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,2,0,0,0,0|2,0,0]=4 17223 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,2,0,0,0,0|2,0,0]=4 17224 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,2,0,0,0,0|2,0,0]=4 17225 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,2,0,0,0,0|2,0,0]=4 17226 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,2,0,0,0,0|2,0,0]=4 17227 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,2,0,0,0,0|2,0,0]=4 17228 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,2,0,0,0,0|1,0,1]=4 17229 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,2,0,0,0,0|1,0,1]=4 17230 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,2,0,0,0,0|0,0,0]=2 17231 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,2,0,0,0,0|0,0,0]=2 17232 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,2,0,0,0,0|1,0,1]=4 17233 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,2,0,0,0,0|1,0,1]=4 17234 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,2,0,0,0,0|0,0,2]=4 17235 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,2,0,0,0,0|0,0,2]=4 17236 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,2,0,0,0,0|2,0,0]=4 17237 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,2,0,0,0,0|2,0,0]=4 17238 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,2,0,0,0,0|1,0,1]=4 17239 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,2,0,0,0,0|0,0,0]=2 17240 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,2,0,0,0,0|1,0,1]=4 17241 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,2,0,0,0,0|1,0,1]=4 17242 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,2,0,0,0,0|0,0,2]=4 17243 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,2,0,0,0,0|0,0,2]=4 17244 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,2,0,0,0,0|0,0,2]=4 17245 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,2,0,0,0,0|0,0,2]=4 17246 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,2,0,0,0,0|2,0,0]=4 17247 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,2,0,0,0,0|2,0,0]=4 17248 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,2,0,0,0,0|1,0,1]=4 17249 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,2,0,0,0,0|0,0,0]=2 17250 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,2,0,0,0,0|1,0,1]=4 17251 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,2,0,0,0,0|1,0,1]=4 17252 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,2,0,0,0,0|1,0,1]=4 17253 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,2,0,0,0,0|1,0,1]=4 17254 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,2,0,0,0,0|1,0,1]=4 17255 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,2,0,0,0,0|1,0,1]=4 17256 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,2,0,0,0,0|1,0,1]=4 17257 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,2,0,0,0,0|1,0,1]=4 17258 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,2,0,0,0,0|1,0,1]=4 17259 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,2,0,0,0,0|0,0,2]=4 17260 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,2,0,0,0,0|0,0,2]=4 17261 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,2,0,0,0,0|2,0,0]=4 17262 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,2,0,0,0,0|2,0,0]=4 17263 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,2,0,0,0,0|2,0,0]=4 17264 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,2,0,0,0,0|2,0,0]=4 17265 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,2,0,0,0,0|2,0,0]=4 17266 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [0,2,0,0,0,0|1,0,0]=3 17267 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [0,2,0,0,0,0|1,0,0]=3 17268 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,2,0,0,0,0|1,0,0]=3 17269 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,2,0,0,0,0|1,0,0]=3 17270 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [0,2,0,0,0,0|1,0,0]=3 17271 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [0,2,0,0,0,0|1,0,0]=3 17272 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,2,0,0,0,0|1,0,1]=4 17273 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,2,0,0,0,0|1,0,1]=4 17274 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,2,0,0,0,0|0,0,0]=2 17275 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,2,0,0,0,0|0,0,0]=2 17276 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,2,0,0,0,0|1,0,1]=4 17277 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,2,0,0,0,0|1,0,1]=4 17278 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,2,0,0,0,0|0,0,2]=4 17279 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,2,0,0,0,0|0,0,2]=4 17280 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,2,0,0,0,0|2,0,0]=4 17281 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,2,0,0,0,0|2,0,0]=4 17282 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,2,0,0,0,0|1,0,1]=4 17283 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,2,0,0,0,0|1,0,1]=4 17284 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,2,0,0,0,0|0,0,0]=2 17285 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,2,0,0,0,0|0,0,0]=2 17286 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,2,0,0,0,0|1,0,1]=4 17287 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,2,0,0,0,0|1,0,1]=4 17288 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,2,0,0,0,0|0,0,2]=4 17289 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,2,0,0,0,0|0,0,2]=4 17290 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,2,0,0,0,0|0,0,2]=4 17291 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,2,0,0,0,0|0,0,2]=4 17292 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,2,0,0,0,0|1,0,1]=4 17293 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,2,0,0,0,0|0,0,0]=2 17294 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,2,0,0,0,0|1,0,1]=4 17295 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,2,0,0,0,0|1,0,1]=4 17296 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,2,0,0,0,0|0,0,2]=4 17297 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,2,0,0,0,0|0,0,2]=4 17298 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,2,0,0,0,0|2,0,0]=4 17299 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,2,0,0,0,0|2,0,0]=4 17300 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,2,0,0,0,0|1,0,1]=4 17301 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,2,0,0,0,0|0,0,0]=2 17302 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,2,0,0,0,0|1,0,1]=4 17303 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,2,0,0,0,0|0,0,2]=4 17304 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,2,0,0,0,0|0,0,2]=4 17305 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,2,0,0,0,0|0,0,2]=4 17306 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,2,0,0,0,0|2,0,0]=4 17307 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,2,0,0,0,0|1,0,1]=4 17308 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,2,0,0,0,0|0,0,0]=2 17309 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,2,0,0,0,0|1,0,1]=4 17310 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,2,0,0,0,0|1,0,1]=4 17311 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,2,0,0,0,0|1,0,1]=4 17312 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,2,0,0,0,0|1,0,1]=4 17313 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,2,0,0,0,0|1,0,1]=4 17314 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,2,0,0,0,0|1,0,1]=4 17315 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,2,0,0,0,0|1,0,1]=4 17316 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,2,0,0,0,0|1,0,1]=4 17317 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,2,0,0,0,0|1,0,1]=4 17318 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,2,0,0,0,0|0,0,2]=4 17319 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,2,0,0,0,0|0,0,2]=4 17320 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,2,0,0,0,0|2,0,0]=4 17321 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,2,0,0,0,0|2,0,0]=4 17322 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,2,0,0,0,0|2,0,0]=4 17323 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,2,0,0,0,0|2,0,0]=4 17324 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,2,0,0,0,0|2,0,0]=4 17325 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,2,0,0,0,0|1,0,1]=4 17326 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,2,0,0,0,0|1,0,1]=4 17327 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,2,0,0,0,0|0,0,0]=2 17328 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,2,0,0,0,0|0,0,0]=2 17329 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,2,0,0,0,0|1,0,1]=4 17330 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,2,0,0,0,0|1,0,1]=4 17331 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,2,0,0,0,0|0,0,2]=4 17332 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,2,0,0,0,0|0,0,2]=4 17333 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,2,0,0,0,0|2,0,0]=4 17334 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,2,0,0,0,0|2,0,0]=4 17335 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 17336 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,2,0,0,0,0|0,0,2]=4 17337 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 17338 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,2,0,0,0,0|0,0,2]=4 17339 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,2,0,0,0,0|0,0,2]=4 17340 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,2,0,0,0,0|1,0,1]=4 17341 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,2,0,0,0,0|0,0,2]=4 17342 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,2,0,0,0,0|2,0,0]=4 17343 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,2,0,0,0,0|2,0,0]=4 17344 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,2,0,0,0,0|1,0,1]=4 17345 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,2,0,0,0,0|0,0,2]=4 17346 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,2,0,0,0,0|2,0,0]=4 17347 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 17348 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 17349 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,2,0,0,0,0|0,0,2]=4 17350 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,2,0,0,0,0|0,0,2]=4 17351 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 17352 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,2,0,0,0,0|0,0,2]=4 17353 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,2,0,0,0,0|1,0,1]=4 17354 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|0,0,2]=4 17355 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|0,0,2]=4 17356 B11R0.3 COCCCCCCOCC#N 7a_200012092642_100011215382 [0,2,0,0,0,0|1,0,1]=4 17357 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,2,0,0,0,0|0,0,0]=2 17358 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,2,0,0,0,0|0,0,0]=2 17359 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,2,0,0,0,0|1,0,1]=4 17360 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,2,0,0,0,0|1,0,1]=4 17361 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,2,0,0,0,0|1,0,1]=4 17362 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,2,0,0,0,0|1,0,1]=4 17363 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,2,0,0,0,0|0,0,2]=4 17364 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,2,0,0,0,0|0,0,2]=4 17365 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,2,0,0,0,0|2,0,0]=4 17366 B11R0.3 COCCCCCCSCC#N 62a_100011215382_100011998445 [0,2,0,0,0,0|1,0,1]=4 17367 B11R0.3 COCCCCCCSCC#N 62a_100011998445_100011215382 [0,2,0,0,0,0|1,0,1]=4 17368 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,2,0,0,0,0|0,0,0]=2 17369 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,2,0,0,0,0|0,0,0]=2 17370 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,2,0,0,0,0|1,0,1]=4 17371 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,2,0,0,0,0|1,0,1]=4 17372 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,2,0,0,0,0|0,0,2]=4 17373 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,2,0,0,0,0|0,0,2]=4 17374 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,2,0,0,0,0|2,0,0]=4 17375 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,2,0,0,0,0|2,0,0]=4 17376 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,2,0,0,0,0|2,0,0]=4 17377 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,2,0,0,0,0|2,0,0]=4 17378 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,2,0,0,0,0|1,0,1]=4 17379 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,2,0,0,0,0|1,0,1]=4 17380 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,2,0,0,0,0|1,0,1]=4 17381 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,2,0,0,0,0|0,0,2]=4 17382 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,2,0,0,0,0|0,0,2]=4 17383 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,2,0,0,0,0|2,0,0]=4 17384 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,2,0,0,0,0|2,0,0]=4 17385 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,2,0,0,0,0|2,0,0]=4 17386 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,2,0,0,0,0|2,0,0]=4 17387 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,2,0,0,0,0|0,0,2]=4 17388 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,2,0,0,0,0|0,0,2]=4 17389 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,2,0,0,0,0|2,0,0]=4 17390 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,2,0,0,0,0|2,0,0]=4 17391 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,2,0,0,0,0|1,0,1]=4 17392 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,2,0,0,0,0|1,0,1]=4 17393 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,2,0,0,0,0|1,0,1]=4 17394 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,2,0,0,0,0|1,0,1]=4 17395 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,2,0,0,0,0|1,0,1]=4 17396 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,2,0,0,0,0|1,0,1]=4 17397 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,2,0,0,0,0|1,0,1]=4 17398 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,2,0,0,0,0|1,0,1]=4 17399 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,2,0,0,0,0|0,0,2]=4 17400 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,2,0,0,0,0|2,0,0]=4 17401 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,2,0,0,0,0|2,0,0]=4 17402 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,2,0,0,0,0|2,0,0]=4 17403 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,2,0,0,0,0|2,0,0]=4 17404 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,2,0,0,0,0|1,0,1]=4 17405 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,2,0,0,0,0|1,0,1]=4 17406 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,2,0,0,0,0|0,0,0]=2 17407 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,2,0,0,0,0|0,0,0]=2 17408 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,2,0,0,0,0|1,0,1]=4 17409 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,2,0,0,0,0|1,0,1]=4 17410 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,2,0,0,0,0|0,0,2]=4 17411 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,2,0,0,0,0|0,0,2]=4 17412 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,2,0,0,0,0|2,0,0]=4 17413 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,2,0,0,0,0|2,0,0]=4 17414 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,2,0,0,0,0|1,0,1]=4 17415 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,2,0,0,0,0|0,0,2]=4 17416 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,2,0,0,0,0|0,0,2]=4 17417 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,2,0,0,0,0|0,0,2]=4 17418 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,2,0,0,0,0|1,0,1]=4 17419 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,2,0,0,0,0|1,0,1]=4 17420 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,2,0,0,0,0|1,0,1]=4 17421 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,2,0,0,0,0|1,0,1]=4 17422 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,2,0,0,0,0|1,0,1]=4 17423 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,2,0,0,0,0|1,0,1]=4 17424 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,2,0,0,0,0|1,0,1]=4 17425 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,2,0,0,0,0|1,0,1]=4 17426 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,2,0,0,0,0|0,0,2]=4 17427 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,2,0,0,0,0|2,0,0]=4 17428 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,2,0,0,0,0|2,0,0]=4 17429 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,2,0,0,0,0|1,0,1]=4 17430 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,2,0,0,0,0|1,0,1]=4 17431 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,2,0,0,0,0|0,0,0]=2 17432 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,2,0,0,0,0|0,0,0]=2 17433 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,2,0,0,0,0|1,0,1]=4 17434 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,2,0,0,0,0|1,0,1]=4 17435 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,2,0,0,0,0|0,0,2]=4 17436 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,2,0,0,0,0|0,0,2]=4 17437 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,2,0,0,0,0|1,0,1]=4 17438 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,2,0,0,0,0|0,0,0]=2 17439 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,2,0,0,0,0|1,0,1]=4 17440 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,2,0,0,0,0|0,0,2]=4 17441 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,2,0,0,0,0|0,0,2]=4 17442 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,2,0,0,0,0|0,0,2]=4 17443 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,2,0,0,0,0|1,0,1]=4 17444 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,2,0,0,0,0|1,0,1]=4 17445 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,2,0,0,0,0|1,0,1]=4 17446 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,2,0,0,0,0|1,0,1]=4 17447 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,2,0,0,0,0|1,0,1]=4 17448 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,2,0,0,0,0|1,0,1]=4 17449 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,2,0,0,0,0|1,0,1]=4 17450 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,2,0,0,0,0|1,0,1]=4 17451 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,2,0,0,0,0|0,0,2]=4 17452 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,2,0,0,0,0|1,0,0]=3 17453 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,2,0,0,0,0|1,0,0]=3 17454 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,2,0,0,0,0|1,0,0]=3 17455 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,2,0,0,0,0|1,0,0]=3 17456 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,2,0,0,0,0|1,0,0]=3 17457 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,2,0,0,0,0|1,0,0]=3 17458 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,2,0,0,0,0|1,0,1]=4 17459 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,2,0,0,0,0|1,0,1]=4 17460 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,2,0,0,0,0|0,0,0]=2 17461 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,2,0,0,0,0|0,0,0]=2 17462 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,2,0,0,0,0|1,0,1]=4 17463 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,2,0,0,0,0|1,0,1]=4 17464 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,2,0,0,0,0|0,0,2]=4 17465 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,2,0,0,0,0|0,0,2]=4 17466 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|0,0,2]=4 17467 B11R0.3 COCSCCCCCCC#N 62a_100000766300_100009813337 [0,2,0,0,0,0|1,0,1]=4 17468 B11R0.3 COCSCCCCCCC#N 62a_100009813337_100000766300 [0,2,0,0,0,0|1,0,1]=4 17469 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,2,0,0,0,0|0,0,2]=4 17470 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,2,0,0,0,0|0,0,2]=4 17471 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 17472 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,2,0,0,0,0|0,0,2]=4 17473 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,2,0,0,0,0|1,0,1]=4 17474 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,2,0,0,0,0|0,0,0]=2 17475 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,2,0,0,0,0|1,0,1]=4 17476 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,2,0,0,0,0|1,0,1]=4 17477 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,2,0,0,0,0|0,0,2]=4 17478 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,2,0,0,0,0|0,0,2]=4 17479 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,2,0,0,0,0|1,0,1]=4 17480 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,2,0,0,0,0|0,0,0]=2 17481 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,2,0,0,0,0|1,0,1]=4 17482 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,2,0,0,0,0|0,0,2]=4 17483 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,2,0,0,0,0|1,0,1]=4 17484 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,2,0,0,0,0|0,0,0]=2 17485 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,2,0,0,0,0|1,0,1]=4 17486 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,2,0,0,0,0|1,0,1]=4 17487 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,2,0,0,0,0|0,0,2]=4 17488 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,2,0,0,0,0|0,0,2]=4 17489 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,2,0,0,0,0|1,0,1]=4 17490 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,2,0,0,0,0|0,0,0]=2 17491 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,2,0,0,0,0|1,0,1]=4 17492 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,2,0,0,0,0|0,0,2]=4 17493 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,2,0,0,0,0|0,0,2]=4 17494 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,2,0,0,0,0|0,0,2]=4 17495 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,2,0,0,0,0|1,0,1]=4 17496 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,2,0,0,0,0|0,0,0]=2 17497 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,2,0,0,0,0|1,0,1]=4 17498 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,2,0,0,0,0|1,0,1]=4 17499 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,2,0,0,0,0|1,0,1]=4 17500 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,2,0,0,0,0|1,0,1]=4 17501 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,2,0,0,0,0|1,0,1]=4 17502 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,2,0,0,0,0|1,0,1]=4 17503 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,2,0,0,0,0|1,0,1]=4 17504 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,2,0,0,0,0|1,0,1]=4 17505 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,2,0,0,0,0|1,0,1]=4 17506 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,2,0,0,0,0|0,0,2]=4 17507 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,2,0,0,0,0|0,0,2]=4 17508 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,2,0,0,0,0|1,0,1]=4 17509 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,2,0,0,0,0|1,0,1]=4 17510 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,2,0,0,0,0|0,0,0]=2 17511 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,2,0,0,0,0|0,0,0]=2 17512 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,2,0,0,0,0|1,0,1]=4 17513 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,2,0,0,0,0|1,0,1]=4 17514 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,2,0,0,0,0|0,0,2]=4 17515 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,2,0,0,0,0|0,0,2]=4 17516 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,2,0,0,0,0|0,0,2]=4 17517 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,2,0,0,0,0|0,0,2]=4 17518 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,2,0,0,0,0|1,0,1]=4 17519 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,2,0,0,0,0|1,0,1]=4 17520 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,2,0,0,0,0|1,0,1]=4 17521 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,2,0,0,0,0|1,0,1]=4 17522 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,2,0,0,0,0|0,0,2]=4 17523 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,2,0,0,0,0|0,0,2]=4 17524 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,2,0,0,0,0|1,0,1]=4 17525 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,2,0,0,0,0|1,0,1]=4 17526 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,2,0,0,0,0|1,0,1]=4 17527 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,2,0,0,0,0|1,0,1]=4 17528 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,2,0,0,0,0|1,0,1]=4 17529 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,2,0,0,0,0|1,0,1]=4 17530 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,2,0,0,0,0|1,0,1]=4 17531 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,2,0,0,0,0|1,0,1]=4 17532 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,2,0,0,0,0|1,0,1]=4 17533 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,2,0,0,0,0|1,0,1]=4 17534 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,2,0,0,0,0|1,0,1]=4 17535 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,2,0,0,0,0|1,0,1]=4 17536 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,2,0,0,0,0|1,0,1]=4 17537 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,2,0,0,0,0|1,0,1]=4 17538 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,2,0,0,0,0|1,0,1]=4 17539 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,2,0,0,0,0|1,0,1]=4 17540 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,2,0,0,0,0|1,0,1]=4 17541 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,2,0,0,0,0|1,0,1]=4 17542 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,2,0,0,0,0|1,0,1]=4 17543 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,2,0,0,0,0|1,0,1]=4 17544 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,2,0,0,0,0|1,0,1]=4 17545 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,2,0,0,0,0|1,0,1]=4 17546 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,2,0,0,0,0|1,0,1]=4 17547 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,2,0,0,0,0|1,0,1]=4 17548 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,2,0,0,0,0|1,0,1]=4 17549 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,2,0,0,0,0|1,0,1]=4 17550 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,2,0,0,0,0|1,0,1]=4 17551 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,2,0,0,0,0|1,0,1]=4 17552 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,2,0,0,0,0|1,0,1]=4 17553 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,2,0,0,0,0|1,0,1]=4 17554 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,2,0,0,0,0|1,0,1]=4 17555 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,2,0,0,0,0|1,0,1]=4 17556 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,2,0,0,0,0|1,0,1]=4 17557 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,2,0,0,0,0|1,0,1]=4 17558 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [0,2,0,0,0,0|0,0,1]=3 17559 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [0,2,0,0,0,0|0,0,1]=3 17560 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,2,0,0,0,0|1,0,1]=4 17561 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,2,0,0,0,0|1,0,1]=4 17562 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,2,0,0,0,0|1,0,1]=4 17563 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,2,0,0,0,0|1,0,1]=4 17564 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,2,0,0,0,0|1,0,1]=4 17565 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,2,0,0,0,0|1,0,1]=4 17566 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,2,0,0,0,0|1,0,1]=4 17567 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,2,0,0,0,0|1,0,1]=4 17568 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,2,0,0,0,0|1,0,1]=4 17569 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,2,0,0,0,0|1,0,1]=4 17570 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,2,0,0,0,0|1,0,1]=4 17571 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,2,0,0,0,0|1,0,1]=4 17572 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [0,2,0,0,0,0|0,0,1]=3 17573 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [0,2,0,0,0,0|0,0,1]=3 17574 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,2,0,0,0,0|1,0,1]=4 17575 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,2,0,0,0,0|1,0,1]=4 17576 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,2,0,0,0,0|1,0,1]=4 17577 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,2,0,0,0,0|1,0,1]=4 17578 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,2,0,0,0,0|1,0,1]=4 17579 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,2,0,0,0,0|1,0,1]=4 17580 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,2,0,0,0,0|1,0,1]=4 17581 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,2,0,0,0,0|1,0,1]=4 17582 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,2,0,0,0,0|0,0,1]=3 17583 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,2,0,0,0,0|0,0,1]=3 17584 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,2,0,0,0,0|1,0,1]=4 17585 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,2,0,0,0,0|1,0,1]=4 17586 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,2,0,0,0,0|1,0,1]=4 17587 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,2,0,0,0,0|1,0,1]=4 17588 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,2,0,0,0,0|1,0,1]=4 17589 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,2,0,0,0,0|1,0,1]=4 17590 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,2,0,0,0,0|1,0,1]=4 17591 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,2,0,0,0,0|1,0,1]=4 17592 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,2,0,0,0,0|0,0,1]=3 17593 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,2,0,0,0,0|0,0,1]=3 17594 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,2,0,0,0,0|1,0,1]=4 17595 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,2,0,0,0,0|1,0,1]=4 17596 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,2,0,0,0,0|1,0,1]=4 17597 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,2,0,0,0,0|1,0,1]=4 17598 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,2,0,0,0,0|1,0,1]=4 17599 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,2,0,0,0,0|1,0,1]=4 17600 B11R0.3 N#CCOCCSCCCC=O 62a_200000047693_200011292268 [0,2,0,0,0,0|1,0,1]=4 17601 B11R0.3 N#CCOCCSCCCC=O 62a_200011292268_200000047693 [0,2,0,0,0,0|1,0,1]=4 17602 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,2,0,0,0,0|1,0,1]=4 17603 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,2,0,0,0,0|1,0,1]=4 17604 B11R0.3 N#CSCCSCCCCC=O 62a_100000034367_100000139335 [0,2,0,0,0,0|1,0,1]=4 17605 B11R0.3 N#CSCCSCCCCC=O 62a_100000139335_100000034367 [0,2,0,0,0,0|1,0,1]=4 17606 B11R0.3 N#CSCSCCCCCC=O 62a_100000139337_100000211825 [0,2,0,0,0,0|1,0,1]=4 17607 B11R0.3 N#CSCSCCCCCC=O 62a_100000211825_100000139337 [0,2,0,0,0,0|1,0,1]=4 17608 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,2,0,0,0,0|1,0,1]=4 17609 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,0]=2 17610 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|1,0,1]=4 17611 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 17612 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|1,0,1]=4 17613 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 17614 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|1,0,1]=4 17615 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,2]=4 17616 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|1,0,1]=4 17617 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 17618 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,2,0,0,0,0|1,0,1]=4 17619 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,2,0,0,0,0|0,0,2]=4 17620 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,0]=3 17621 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,2,0,0,0,0|0,0,2]=4 17622 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,2,0,0,0,0|2,0,0]=4 17623 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,2,0,0,0,0|2,0,0]=4 17624 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,2,0,0,0,0|0,0,0]=2 17625 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,2,0,0,0,0|0,0,0]=2 17626 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,2,0,0,0,0|0,0,0]=2 17627 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,2,0,0,0,0|0,0,0]=2 17628 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,2,0,0,0,0|0,0,0]=2 17629 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,2,0,0,0,0|0,0,0]=2 17630 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,2,0,0,0,0|0,0,0]=2 17631 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,2,0,0,0,0|0,0,0]=2 17632 B11R0.3 O=CCCCCSCC#CCO 62a_100000139335_200000047223 [0,2,0,0,0,0|0,0,2]=4 17633 B11R0.3 O=CCCCCSCC#CCO 62a_200000047223_100000139335 [0,2,0,0,0,0|0,0,2]=4 17634 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,2,0,0,0,0|0,0,1]=3 17635 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,2,0,0,0,0|0,0,1]=3 17636 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,2,0,0,0,0|0,0,0]=2 17637 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,2,0,0,0,0|0,0,0]=2 17638 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,2,0,0,0,0|0,0,0]=2 17639 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,2,0,0,0,0|0,0,0]=2 17640 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,2,0,0,0,0|0,0,0]=2 17641 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,2,0,0,0,0|1,0,0]=3 17642 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,2,0,0,0,0|1,0,0]=3 17643 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,2,0,0,0,0|0,0,0]=2 17644 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,2,0,0,0,0|0,0,0]=2 17645 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,2,0,0,0,0|0,0,0]=2 17646 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,2,0,0,0,0|1,0,0]=3 17647 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,2,0,0,0,0|1,0,0]=3 17648 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,2,0,0,0,0|1,0,0]=3 17649 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,2,0,0,0,0|1,0,0]=3 17650 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,2,0,0,0,0|0,0,0]=2 17651 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,2,0,0,0,0|0,0,0]=2 17652 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,2,0,0,0,0|0,0,0]=2 17653 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,2,0,0,0,0|0,0,0]=2 17654 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,2,0,0,0,0|1,0,0]=3 17655 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,2,0,0,0,0|1,0,0]=3 17656 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,2,0,0,0,0|0,0,0]=2 17657 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,0]=2 17658 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,2,0,0,0,0|1,0,0]=3 17659 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,0]=3 17660 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,2,0,0,0,0|0,0,0]=2 17661 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,2,0,0,0,0|0,0,0]=2 17662 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,2,0,0,0,0|0,0,0]=2 17663 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,2,0,0,0,0|0,0,0]=2 17664 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,2,0,0,0,0|0,0,2]=4 17665 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,2,0,0,0,0|0,0,2]=4 17666 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,2,0,0,0,0|0,0,2]=4 17667 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,2,0,0,0,0|0,0,2]=4 17668 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,2,0,0,0,0|0,0,2]=4 17669 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|0,0,2]=4 17670 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 17671 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|0,0,2]=4 17672 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 17673 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|0,0,2]=4 17674 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,2,0,0,0,0|0,0,2]=4 17675 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,2,0,0,0,0|0,0,2]=4 17676 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,2,0,0,0,0|0,0,2]=4 17677 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,2,0,0,0,0|0,0,2]=4 17678 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 17679 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,2,0,0,0,0|0,0,2]=4 17680 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,2,0,0,0,0|0,0,2]=4 17681 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|0,0,2]=4 17682 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,2,0,0,0,0|0,0,2]=4 17683 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 17684 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 17685 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,2,0,0,0,0|0,0,2]=4 17686 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,2,0,0,0,0|0,0,2]=4 17687 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,2,0,0,0,0|0,0,2]=4 17688 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,2,0,0,0,0|0,0,2]=4 17689 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,2,0,0,0,0|0,0,2]=4 17690 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,2,0,0,0,0|0,0,2]=4 17691 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,2,0,0,0,0|0,0,2]=4 17692 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,2,0,0,0,0|0,0,2]=4 17693 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|0,0,2]=4 17694 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 17695 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,2,0,0,0,0|0,0,2]=4 17696 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 17697 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,2]=4 17698 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,2,0,0,0,0|0,0,2]=4 17699 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 17700 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 17701 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,2,0,0,0,0|0,0,2]=4 17702 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,2,0,0,0,0|0,0,2]=4 17703 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,2,0,0,0,0|0,0,2]=4 17704 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,2,0,0,0,0|0,0,2]=4 17705 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,2,0,0,0,0|0,0,2]=4 17706 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 17707 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,2,0,0,0,0|0,0,2]=4 17708 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,2,0,0,0,0|0,0,2]=4 17709 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|0,0,2]=4 17710 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,2,0,0,0,0|0,0,2]=4 17711 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,2,0,0,0,0|0,0,2]=4 17712 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,2,0,0,0,0|0,0,2]=4 17713 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,2,0,0,0,0|0,0,2]=4 17714 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,2,0,0,0,0|0,0,2]=4 17715 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,2,0,0,0,0|0,0,2]=4 17716 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,2,0,0,0,0|0,0,2]=4 17717 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,2,0,0,0,0|0,0,2]=4 17718 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,2,0,0,0,0|0,0,2]=4 17719 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,2,0,0,0,0|0,0,2]=4 17720 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,2,0,0,0,0|0,0,2]=4 17721 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,2,0,0,0,0|0,0,2]=4 17722 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,2,0,0,0,0|0,0,2]=4 17723 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,2,0,0,0,0|0,0,2]=4 17724 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,2,0,0,0,0|0,0,2]=4 17725 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,2,0,0,0,0|0,0,2]=4 17726 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 17727 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 17728 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 17729 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 17730 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 17731 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 17732 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,2,0,0,0,0|0,0,2]=4 17733 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,2,0,0,0,0|0,0,2]=4 17734 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 17735 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 17736 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,2,0,0,0,0|0,0,2]=4 17737 B11R0.3 [N-]=[N+]=NCCCNCCCC=O 2230a_100000744732_200011292268 [0,2,0,0,0,0|2,0,0]=4 17738 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,2,0,0,0,0|1,0,1]=4 17739 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,2,0,0,0,0|1,0,1]=4 17740 B11R0.140 C#CCCCN(C)CCCCC 2230a_100000223495_100000731252 [0,2,0,0,0,0|1,0,1]=4 17741 B11R0.140 C#CCCCN(C)CCCCC 269982a_100000223495_100011215417 [0,2,0,0,0,0|1,0,1]=4 17742 B11R0.140 C#CCCNC(C)CCCCC 2230a_100000211957_100000688953 [0,2,0,0,0,0|1,0,1]=4 17743 B11R0.140 C#CCCNC(C)CCCCC 34a_100000755551_200011218191 [0,2,0,0,0,0|1,0,1]=4 17744 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,2,0,0,0,0|1,0,1]=4 17745 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,2,0,0,0,0|1,0,1]=4 17746 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,2,0,0,0,0|1,0,1]=4 17747 B11R0.140 C#CCCSC(C)CCCCC 62a_100000688953_200011218191 [0,2,0,0,0,0|1,0,1]=4 17748 B11R0.140 C#CCCSC(C)CCCCC 62a_200011218191_100000688953 [0,2,0,0,0,0|1,0,1]=4 17749 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,2,0,0,0,0|1,0,1]=4 17750 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,2,0,0,0,0|1,0,1]=4 17751 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,2,0,0,0,0|1,0,1]=4 17752 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [0,2,0,0,0,0|1,0,1]=4 17753 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [0,2,0,0,0,0|1,0,1]=4 17754 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|1,0,0]=3 17755 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|1,0,0]=3 17756 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,2,0,0,0,0|1,0,1]=4 17757 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,2,0,0,0,0|1,0,1]=4 17758 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,2,0,0,0,0|1,0,1]=4 17759 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,2,0,0,0,0|1,0,1]=4 17760 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,2,0,0,0,0|1,0,1]=4 17761 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,2,0,0,0,0|1,0,1]=4 17762 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,2,0,0,0,0|1,0,1]=4 17763 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,2,0,0,0,0|1,0,1]=4 17764 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,2,0,0,0,0|1,0,1]=4 17765 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,2,0,0,0,0|1,0,1]=4 17766 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,2,0,0,0,0|1,0,1]=4 17767 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,2,0,0,0,0|1,0,1]=4 17768 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,2,0,0,0,0|1,0,1]=4 17769 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,2,0,0,0,0|1,0,1]=4 17770 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,2,0,0,0,0|1,0,1]=4 17771 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,2,0,0,0,0|1,0,1]=4 17772 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,2,0,0,0,0|1,0,0]=3 17773 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,2,0,0,0,0|1,0,0]=3 17774 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [0,2,0,0,0,0|2,0,0]=4 17775 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [0,2,0,0,0,0|2,0,0]=4 17776 B11R0.140 C=CCCCN(C)CCCOC 2230a_100000224831_100011713584 [0,2,0,0,0,0|2,0,0]=4 17777 B11R0.140 C=CCCCN(C)CCCOC 269982a_100000224831_100000757094 [0,2,0,0,0,0|2,0,0]=4 17778 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,2,0,0,0,0|1,0,1]=4 17779 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,2,0,0,0,0|1,0,1]=4 17780 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,2,0,0,0,0|1,0,1]=4 17781 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,2,0,0,0,0|1,0,1]=4 17782 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,2,0,0,0,0|1,0,0]=3 17783 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,2,0,0,0,0|1,0,0]=3 17784 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,2,0,0,0,0|1,0,0]=3 17785 B11R0.140 C=CCCNC(C)CCCSC 270004a_100015191253_100011399439 [0,2,0,0,0,0|2,0,0]=4 17786 B11R0.140 C=CCCNC(C)CCOCC 270004a_100015191253_200011216536 [0,2,0,0,0,0|2,0,0]=4 17787 B11R0.140 C=CCCNC(C)CSCCC 270004a_100015191253_100011343953 [0,2,0,0,0,0|2,0,0]=4 17788 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,2,0,0,0,0|1,0,0]=3 17789 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,2,0,0,0,0|1,0,0]=3 17790 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,2,0,0,0,0|1,0,0]=3 17791 B11R0.140 C=CCCOC(C)CCCOC 34a_200011539412_100000754431 [0,2,0,0,0,0|2,0,0]=4 17792 B11R0.140 C=CCCOC(C)CCCOC 7a_200011539412_100000754431 [0,2,0,0,0,0|2,0,0]=4 17793 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,2,0,0,0,0|1,0,0]=3 17794 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,2,0,0,0,0|1,0,0]=3 17795 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,2,0,0,0,0|1,0,1]=4 17796 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,2,0,0,0,0|1,0,1]=4 17797 B11R0.140 C=CCOC[C@@H](N)CCCCN 34a_100016993712_100015514636 [0,2,0,0,0,0|2,0,0]=4 17798 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,2,0,0,0,0|1,0,1]=4 17799 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,2,0,0,0,0|1,0,1]=4 17800 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,2,0,0,0,0|1,0,1]=4 17801 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,2,0,0,0,0|1,0,1]=4 17802 B11R0.140 C=COCCN(C)CCCCC 2230a_100000223495_100000039644 [0,2,0,0,0,0|2,0,0]=4 17803 B11R0.140 C=COCCN(C)CCCCC 269982a_100000223495_100000039644 [0,2,0,0,0,0|2,0,0]=4 17804 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [0,2,0,0,0,0|1,0,1]=4 17805 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,2,0,0,0,0|1,0,1]=4 17806 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,2,0,0,0,0|1,0,1]=4 17807 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [0,2,0,0,0,0|1,0,1]=4 17808 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [0,2,0,0,0,0|1,0,1]=4 17809 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,2,0,0,0,0|1,0,1]=4 17810 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,2,0,0,0,0|1,0,1]=4 17811 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,2,0,0,0,0|1,0,1]=4 17812 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,2,0,0,0,0|1,0,1]=4 17813 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,2,0,0,0,0|0,0,2]=4 17814 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,2,0,0,0,0|0,0,2]=4 17815 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,2,0,0,0,0|2,0,0]=4 17816 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,2,0,0,0,0|2,0,0]=4 17817 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,2,0,0,0,0|2,0,0]=4 17818 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,2,0,0,0,0|0,0,1]=3 17819 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,2,0,0,0,0|0,0,1]=3 17820 B11R0.140 CCCCCC(C)NCCC#N 2230a_100000211957_100011215226 [0,2,0,0,0,0|1,0,1]=4 17821 B11R0.140 CCCCCC(C)NCCC#N 270004a_100000720768_100000211708 [0,2,0,0,0,0|1,0,1]=4 17822 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,2,0,0,0,0|1,0,1]=4 17823 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,2,0,0,0,0|1,0,1]=4 17824 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,2,0,0,0,0|1,0,1]=4 17825 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,2,0,0,0,0|1,0,1]=4 17826 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,2,0,0,0,0|1,0,1]=4 17827 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,2,0,0,0,0|1,0,1]=4 17828 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,2,0,0,0,0|1,0,1]=4 17829 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,2,0,0,0,0|1,0,1]=4 17830 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,2,0,0,0,0|0,0,2]=4 17831 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,2,0,0,0,0|0,0,2]=4 17832 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,2,0,0,0,0|2,0,0]=4 17833 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,2,0,0,0,0|2,0,0]=4 17834 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,2,0,0,0,0|2,0,0]=4 17835 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,2,0,0,0,0|2,0,0]=4 17836 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,2,0,0,0,0|2,0,0]=4 17837 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,2,0,0,0,0|2,0,0]=4 17838 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,2,0,0,0,0|1,0,1]=4 17839 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,2,0,0,0,0|1,0,1]=4 17840 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,2,0,0,0,0|1,0,1]=4 17841 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,2,0,0,0,0|1,0,1]=4 17842 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,2,0,0,0,0|1,0,1]=4 17843 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,2,0,0,0,0|1,0,1]=4 17844 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,2,0,0,0,0|1,0,1]=4 17845 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,2,0,0,0,0|1,0,1]=4 17846 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,2,0,0,0,0|1,0,1]=4 17847 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,2,0,0,0,0|1,0,1]=4 17848 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,2,0,0,0,0|1,0,1]=4 17849 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|0,0,2]=4 17850 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|0,0,2]=4 17851 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,2,0,0,0,0|2,0,0]=4 17852 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,2,0,0,0,0|2,0,0]=4 17853 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,2,0,0,0,0|2,0,0]=4 17854 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,2,0,0,0,0|2,0,0]=4 17855 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,2,0,0,0,0|2,0,0]=4 17856 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,2,0,0,0,0|2,0,0]=4 17857 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,2,0,0,0,0|2,0,0]=4 17858 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,2,0,0,0,0|2,0,0]=4 17859 B11R0.140 CCCCCC(C)SCCC#N 62a_100011215226_200011218191 [0,2,0,0,0,0|1,0,1]=4 17860 B11R0.140 CCCCCC(C)SCCC#N 62a_200011218191_100011215226 [0,2,0,0,0,0|1,0,1]=4 17861 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,2,0,0,0,0|1,0,1]=4 17862 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,2,0,0,0,0|1,0,1]=4 17863 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,2,0,0,0,0|1,0,1]=4 17864 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,2,0,0,0,0|1,0,1]=4 17865 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,2,0,0,0,0|0,0,2]=4 17866 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,2,0,0,0,0|0,0,2]=4 17867 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,2,0,0,0,0|2,0,0]=4 17868 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,2,0,0,0,0|2,0,0]=4 17869 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,2,0,0,0,0|2,0,0]=4 17870 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,2,0,0,0,0|2,0,0]=4 17871 B11R0.140 CCCCCN(C)CCCC#N 2230a_100000223495_100000687738 [0,2,0,0,0,0|1,0,1]=4 17872 B11R0.140 CCCCCN(C)CCCC#N 269982a_100000223495_100000687738 [0,2,0,0,0,0|1,0,1]=4 17873 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,2,0,0,0,0|0,0,0]=2 17874 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,2,0,0,0,0|0,0,0]=2 17875 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,2,0,0,0,0|1,0,1]=4 17876 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,2,0,0,0,0|1,0,1]=4 17877 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,2,0,0,0,0|1,0,1]=4 17878 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,2,0,0,0,0|1,0,1]=4 17879 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,2,0,0,0,0|1,0,1]=4 17880 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,2,0,0,0,0|1,0,1]=4 17881 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,2,0,0,0,0|0,0,2]=4 17882 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,2,0,0,0,0|0,0,2]=4 17883 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,2,0,0,0,0|0,0,2]=4 17884 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,2,0,0,0,0|0,0,2]=4 17885 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,2,0,0,0,0|2,0,0]=4 17886 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,2,0,0,0,0|2,0,0]=4 17887 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,2,0,0,0,0|2,0,0]=4 17888 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,2,0,0,0,0|2,0,0]=4 17889 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,2,0,0,0,0|1,0,1]=4 17890 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,2,0,0,0,0|1,0,1]=4 17891 B11R0.140 CCCCNC(=O)CSCC=O 62a_100000182744_200015260668 [0,2,0,0,0,0|1,0,1]=4 17892 B11R0.140 CCCCNC(=O)CSCC=O 62a_200015260668_100000182744 [0,2,0,0,0,0|1,0,1]=4 17893 B11R0.140 CCCCNC(C)CCCC#N 270004a_100000102301_200000032708 [0,2,0,0,0,0|1,0,1]=4 17894 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [0,2,0,0,0,0|2,0,0]=4 17895 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [0,2,0,0,0,0|1,0,1]=4 17896 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [0,2,0,0,0,0|1,0,1]=4 17897 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,2,0,0,0,0|2,0,0]=4 17898 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,2,0,0,0,0|2,0,0]=4 17899 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [0,2,0,0,0,0|1,0,1]=4 17900 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [0,2,0,0,0,0|1,0,0]=3 17901 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [0,2,0,0,0,0|1,0,0]=3 17902 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [0,2,0,0,0,0|1,0,0]=3 17903 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [0,2,0,0,0,0|1,0,0]=3 17904 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [0,2,0,0,0,0|1,0,0]=3 17905 B11R0.49 C=CC(C)(C)OCCCCCC 34a_100011215311_100000210314 [0,2,0,0,0,0|2,0,0]=4 17906 B11R0.49 C=CC(C)(C)OCCCCCC 7a_100011215311_100000210314 [0,2,0,0,0,0|2,0,0]=4 17907 B11R0.49 C=CC(F)(F)SCCCCCC 62a_100000210314_100009814244 [0,2,0,0,0,0|2,0,0]=4 17908 B11R0.49 C=CC(F)(F)SCCCCCC 62a_100009814244_100000210757 [0,2,0,0,0,0|2,0,0]=4 17909 B11R0.49 C=CCCCCNC(C)(C)CC 2230a_100000211385_100011215482 [0,2,0,0,0,0|2,0,0]=4 17910 B11R0.49 C=CCCCCOC(C)(C)CC 7a_100000210230_100011215482 [0,2,0,0,0,0|2,0,0]=4 17911 B11R0.49 C=CCCCCOC(C)(C)CC 7a_100000766645_100000210677 [0,2,0,0,0,0|2,0,0]=4 17912 B11R0.49 C=CCCCCSC(C)(C)CC 62a_100000032637_100011215482 [0,2,0,0,0,0|2,0,0]=4 17913 B11R0.49 C=CCCCCSC(C)(C)CC 62a_100011215482_100000032637 [0,2,0,0,0,0|2,0,0]=4 17914 B11R0.49 C=CCCCOCC(C)(C)CC 7a_100000765029_100000757094 [0,2,0,0,0,0|2,0,0]=4 17915 B11R0.49 CC(C)(CCl)COCCCC=O 7a_100011217199_200011292268 [0,2,0,0,0,0|2,0,0]=4 17916 B11R0.49 CC(C)(CCl)OCCCCC=O 7a_100000764493_100000139335 [0,2,0,0,0,0|2,0,0]=4 17917 B11R0.49 CC(C)(CO)CCCNCC=O 2230a_100000039164_200015260668 [0,2,0,0,0,0|2,0,0]=4 17918 B11R0.49 CC(C)(CO)CNCCCC=O 2230a_100020635058_200011292268 [0,2,0,0,0,0|2,0,0]=4 17919 B11R0.49 CC(C)(CO)CSCCCC=O 62a_100009813988_200011292268 [0,2,0,0,0,0|2,0,0]=4 17920 B11R0.49 CC(C)(CO)CSCCCC=O 62a_200011292268_100009813988 [0,2,0,0,0,0|2,0,0]=4 17921 B11R0.49 CC(C)(CO)NCCCCC=O 2230a_100000210608_100000139335 [0,2,0,0,0,0|2,0,0]=4 17922 B11R0.49 CCC(C)(C)COCCCC=O 7a_100000765029_200011292268 [0,2,0,0,0,0|1,0,0]=3 17923 B11R0.49 CCC(C)(C)NCCCCC=O 2230a_100000211385_100000139335 [0,2,0,0,0,0|1,0,0]=3 17924 B11R0.49 CCC(C)(C)OCCCCC=O 7a_100000210230_100000139335 [0,2,0,0,0,0|1,0,0]=3 17925 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000032637_100000139335 [0,2,0,0,0,0|1,0,0]=3 17926 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000139335_100000032637 [0,2,0,0,0,0|1,0,0]=3 17927 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,2,0,0,0,0|2,0,0]=4 17928 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,2,0,0,0,0|2,0,0]=4 17929 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,2,0,0,0,0|2,0,0]=4 17930 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,2,0,0,0,0|2,0,0]=4 17931 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,2,0,0,0,0|2,0,0]=4 17932 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,2,0,0,0,0|2,0,0]=4 17933 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,2,0,0,0,0|2,0,0]=4 17934 B11R0.49 COC(C)(C)CNCCCC=O 2230a_100000763424_200011292268 [0,2,0,0,0,0|2,0,0]=4 17935 B11R0.49 COC(C)(C)CSCCCC=O 62a_100000701081_200011292268 [0,2,0,0,0,0|2,0,0]=4 17936 B11R0.49 COC(C)(C)CSCCCC=O 62a_200011292268_100000701081 [0,2,0,0,0,0|2,0,0]=4 17937 B11R0.49 O=CCCCCSC(F)(F)CO 62a_100000139335_100011217949 [0,2,0,0,0,0|2,0,0]=4 17938 B11R0.49 O=CCCCCSC(F)(F)CO 62a_100011217949_100000139335 [0,2,0,0,0,0|2,0,0]=4 17939 B11R0.70 C=CC(C)COC(C)CCCC 34a_100011215527_200011215066 [0,2,0,0,0,0|2,0,0]=4 17940 B11R0.70 C=CC(C)COC(C)CCCC 7a_100011215527_200011215066 [0,2,0,0,0,0|2,0,0]=4 17941 B11R0.70 C=CC(O)CNC(C)CCCC 2230a_100000126638_100000730141 [0,2,0,0,0,0|2,0,0]=4 17942 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [0,2,0,0,0,0|2,0,0]=4 17943 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [0,2,0,0,0,0|2,0,0]=4 17944 B11R0.70 C=CC(O)CSC(C)CCCC 62a_100000730141_200011215066 [0,2,0,0,0,0|2,0,0]=4 17945 B11R0.70 C=CC(O)CSC(C)CCCC 62a_200011215066_100000730141 [0,2,0,0,0,0|2,0,0]=4 17946 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [0,2,0,0,0,0|1,0,1]=4 17947 B11R0.70 C=CCCC(C)NCC(C)CC 270004a_100020588543_100000762624 [0,2,0,0,0,0|2,0,0]=4 17948 B11R0.70 C=CCCC(C)NCC(O)CC 270004a_100011218483_100000762624 [0,2,0,0,0,0|2,0,0]=4 17949 B11R0.70 C=CCCC(C)OCC(C)CC 34a_100000765329_100000748023 [0,2,0,0,0,0|2,0,0]=4 17950 B11R0.70 C=CCCC(C)OCC(C)CC 7a_100000765329_100000748023 [0,2,0,0,0,0|2,0,0]=4 17951 B11R0.70 C=CCCC(C)OCC(O)CC 34a_100000765329_100011218378 [0,2,0,0,0,0|2,0,0]=4 17952 B11R0.70 C=CCCC(C)OCC(O)CC 7a_100000765329_100011218378 [0,2,0,0,0,0|2,0,0]=4 17953 B11R0.70 C=CCCC(C)OC[C@@H](C)CC 34a_100000765329_100009816398 [0,2,0,0,0,0|2,0,0]=4 17954 B11R0.70 C=CCCC(C)OC[C@@H](C)CC 7a_100000765329_100009816398 [0,2,0,0,0,0|2,0,0]=4 17955 B11R0.70 C=CCOC(C)CCC(C)CC 7a_200011216552_100015514636 [0,2,0,0,0,0|2,0,0]=4 17956 B11R0.70 C=C[C@H](N)COC(C)CCCC 34a_100016989147_200011215066 [0,2,0,0,0,0|2,0,0]=4 17957 B11R0.70 CCC(C)CCC(C)OCC=O 7a_200011216552_200015260668 [0,2,0,0,0,0|1,0,0]=3 17958 B11R0.106 C=CC(O)CNCCC(C)CC 2230a_100020591266_100000730141 [0,2,0,0,0,0|2,0,0]=4 17959 B11R0.106 C=CC(O)COCCC(C)CC 7a_100011215188_100000730141 [0,2,0,0,0,0|2,0,0]=4 17960 B11R0.124 C#CC(CC)OCCCCC=C 34a_100000758843_100011215482 [0,2,0,0,0,0|2,0,0]=4 17961 B11R0.124 C#CC(CC)OCCCCC=C 7a_100000758843_100011215482 [0,2,0,0,0,0|2,0,0]=4 17962 B11R0.124 C#CC(CC)OCCCCC=O 7a_100000758843_100000139335 [0,2,0,0,0,0|1,0,0]=3 17963 B11R0.124 C=CC(C=C)OCCCCCC 34a_100000033096_100000210314 [0,2,0,0,0,0|2,0,0]=4 17964 B11R0.124 C=CC(CC)OCCCCC=O 7a_100000766422_100000139335 [0,2,0,0,0,0|1,0,0]=3 17965 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 17966 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 17967 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|1,0,0]=3 17968 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|1,0,0]=3 17969 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|1,0,0]=3 17970 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|1,0,0]=3 17971 B11R0.124 C=CCCCCCN(CC)CC 2230a_100000724800_100000700193 [0,2,0,0,0,0|2,0,0]=4 17972 B11R0.124 C=CCCCCCN(CC)CC 269956a_100000042499_100000700193 [0,2,0,0,0,0|2,0,0]=4 17973 B11R0.124 C=CCCCCCN(CC)CC 269982a_100000724800_100000700193 [0,2,0,0,0,0|2,0,0]=4 17974 B11R0.124 C=CCCCCNC(CC)CC 2230a_100000199018_100011215482 [0,2,0,0,0,0|2,0,0]=4 17975 B11R0.124 C=CCCCCNC(CC)CC 270004a_100000703577_100000210860 [0,2,0,0,0,0|2,0,0]=4 17976 B11R0.124 C=CCCCCN[C@@H](CC)CO 2230a_100000709445_100011215482 [0,2,0,0,0,0|2,0,0]=4 17977 B11R0.124 C=CCCCCOC(C=C)CC 34a_100000766422_100011215482 [0,2,0,0,0,0|2,0,0]=4 17978 B11R0.124 C=CCCCCOC(C=C)CC 7a_100000766422_100011215482 [0,2,0,0,0,0|2,0,0]=4 17979 B11R0.124 C=CCCCCOC(CC)CC 7a_100000688536_100011215482 [0,2,0,0,0,0|2,0,0]=4 17980 B11R0.124 C=CCCCCOC(CC)CC 7a_100000766645_100000210505 [0,2,0,0,0,0|2,0,0]=4 17981 B11R0.124 C=CCCCCSC(CC)CC 62a_100000210505_100011215482 [0,2,0,0,0,0|2,0,0]=4 17982 B11R0.124 C=CCCCCSC(CC)CC 62a_100011215482_100000210505 [0,2,0,0,0,0|2,0,0]=4 17983 B11R0.124 C=CCCCNCC(CC)CC 2230a_100000700776_100011215472 [0,2,0,0,0,0|2,0,0]=4 17984 B11R0.124 C=CCCCNCC(CC)CC 2230a_100102946423_100011713584 [0,2,0,0,0,0|2,0,0]=4 17985 B11R0.124 C=CCCCNCC(CC)CC 269862a_100000700776_100000211137 [0,2,0,0,0,0|2,0,0]=4 17986 B11R0.124 C=CCCCNCC(CC)CC 270004a_100000700776_100000211137 [0,2,0,0,0,0|2,0,0]=4 17987 B11R0.124 C=CCCCNCC(CC)CC 34a_100000700776_100011215472 [0,2,0,0,0,0|2,0,0]=4 17988 B11R0.124 C=CCCCOCC(CC)CC 34a_100000758997_100011215472 [0,2,0,0,0,0|2,0,0]=4 17989 B11R0.124 C=CCCCOCC(CC)CC 7a_100000703878_100000757094 [0,2,0,0,0,0|2,0,0]=4 17990 B11R0.124 C=CCCCOCC(CC)CC 7a_100000758997_100011215472 [0,2,0,0,0,0|2,0,0]=4 17991 B11R0.124 C=CCCCOCC(CC)OC 34a_100011934954_100000757094 [0,2,0,0,0,0|2,0,0]=4 17992 B11R0.124 C=CCCCOCC(CC)OC 7a_100011934954_100000757094 [0,2,0,0,0,0|2,0,0]=4 17993 B11R0.124 C=CCCCSCC(CC)CC 62a_100011215472_100000757094 [0,2,0,0,0,0|2,0,0]=4 17994 B11R0.124 C=CCCCSCC(CC)CC 62a_100011713584_100011215472 [0,2,0,0,0,0|2,0,0]=4 17995 B11R0.124 C=C[C@@H](CO)NCCCCC=O 2230a_100016989147_100000139335 [0,2,0,0,0,0|2,0,0]=4 17996 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,2,0,0,0,0|2,0,0]=4 17997 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|2,0,0]=4 17998 B11R0.124 CCC(CC)CNCCCC=O 2230a_100102946423_200011292268 [0,2,0,0,0,0|1,0,0]=3 17999 B11R0.124 CCC(CC)COCCCC=O 7a_100000703878_200011292268 [0,2,0,0,0,0|1,0,0]=3 18000 B11R0.124 CCC(CC)CSCCCC=O 62a_100011215472_200011292268 [0,2,0,0,0,0|1,0,0]=3 18001 B11R0.124 CCC(CC)CSCCCC=O 62a_200011292268_100011215472 [0,2,0,0,0,0|1,0,0]=3 18002 B11R0.124 CCC(CC)NCCCCC=O 2230a_100000199018_100000139335 [0,2,0,0,0,0|1,0,0]=3 18003 B11R0.124 CCC(CC)OCCCCC=O 7a_100000688536_100000139335 [0,2,0,0,0,0|1,0,0]=3 18004 B11R0.124 CCC(CC)SCCCCC=O 62a_100000139335_100000210505 [0,2,0,0,0,0|1,0,0]=3 18005 B11R0.124 CCC(CC)SCCCCC=O 62a_100000210505_100000139335 [0,2,0,0,0,0|1,0,0]=3 18006 B11R0.124 CCC(COCCCC=O)OC 7a_100011934954_200011292268 [0,2,0,0,0,0|1,0,0]=3 18007 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,2,0,0,0,0|1,0,1]=4 18008 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|1,0,1]=4 18009 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|1,0,1]=4 18010 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|1,0,1]=4 18011 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|1,0,1]=4 18012 B11R0.124 CCCCCCNC(C=O)C=O 2230a_100000210581_100000736813 [0,2,0,0,0,0|1,0,0]=3 18013 B11R0.124 CCCCCCOC(C=O)C=O 34a_100000210259_100000736813 [0,2,0,0,0,0|1,0,0]=3 18014 B11R0.124 CCCCCCSC(C=O)C=O 62a_100000210314_100000736813 [0,2,0,0,0,0|1,0,0]=3 18015 B11R0.124 CCCCCCSC(C=O)C=O 62a_100000736813_100000210757 [0,2,0,0,0,0|1,0,0]=3 18016 B11R0.124 CCCCOCSC(C=O)C=O 62a_100000736813_100011995733 [0,2,0,0,0,0|2,0,0]=4 18017 B11R0.124 CCCCOCSC(C=O)C=O 62a_100011995733_100000736813 [0,2,0,0,0,0|2,0,0]=4 18018 B11R0.124 CCCOCCNC(C=O)C=O 2230a_100161115042_100000736813 [0,2,0,0,0,0|2,0,0]=4 18019 B11R0.124 CCCOCCNC(C=O)C=O 34a_100161115042_100000736813 [0,2,0,0,0,0|2,0,0]=4 18020 B11R0.124 CCCOCCOC(C=O)C=O 34a_100000752267_100000736813 [0,2,0,0,0,0|2,0,0]=4 18021 B11R0.124 CCCOCCSC(C=O)C=O 62a_100000736813_100011215938 [0,2,0,0,0,0|2,0,0]=4 18022 B11R0.124 CCCOCCSC(C=O)C=O 62a_100011215938_100000736813 [0,2,0,0,0,0|2,0,0]=4 18023 B11R0.124 CCCSCCNC(C=O)C=O 2230a_100020603323_100000736813 [0,2,0,0,0,0|2,0,0]=4 18024 B11R0.124 CCCSCCOC(C=O)C=O 34a_200000230433_100000736813 [0,2,0,0,0,0|2,0,0]=4 18025 B11R0.124 CCN(CC)CCCCCC=O 2230a_100000724800_100000139337 [0,2,0,0,0,0|1,0,0]=3 18026 B11R0.124 CCN(CC)CCCCCC=O 269956a_100000042499_100000139337 [0,2,0,0,0,0|1,0,0]=3 18027 B11R0.124 CCN(CC)CCCCCC=O 269982a_100000724800_100000139337 [0,2,0,0,0,0|1,0,0]=3 18028 B11R0.124 CCN(CC)CCCOCC=O 7a_100000212844_200015260668 [0,2,0,0,0,0|2,0,0]=4 18029 B11R0.124 CCN(CC)CCCSCC=O 62a_200015260668_100000709985 [0,2,0,0,0,0|2,0,0]=4 18030 B11R0.124 CCN(CC)COCCCC=O 7a_200015374951_200011292268 [0,2,0,0,0,0|2,0,0]=4 18031 B11R0.124 CCOCCCNC(C=O)C=O 2230a_100000210961_100000736813 [0,2,0,0,0,0|2,0,0]=4 18032 B11R0.124 CCOCCCNC(C=O)C=O 34a_100000210961_100000736813 [0,2,0,0,0,0|2,0,0]=4 18033 B11R0.124 CCOCCCOC(C=O)C=O 34a_100000757476_100000736813 [0,2,0,0,0,0|2,0,0]=4 18034 B11R0.124 CCOCCCSC(C=O)C=O 62a_100000736813_100012232248 [0,2,0,0,0,0|2,0,0]=4 18035 B11R0.124 CCOCCCSC(C=O)C=O 62a_100012232248_100000736813 [0,2,0,0,0,0|2,0,0]=4 18036 B11R0.124 CCSCCCOC(C=O)C=O 34a_100011216438_100000736813 [0,2,0,0,0,0|2,0,0]=4 18037 B11R0.124 CC[C@@H](CO)NCCCCC=O 2230a_100000709445_100000139335 [0,2,0,0,0,0|1,0,0]=3 18038 B11R0.124 COC(CCCSCC=O)OC 62a_100000069011_200015260668 [0,2,0,0,0,0|2,0,0]=4 18039 B11R0.124 COC(CCCSCC=O)OC 62a_200015260668_100000069011 [0,2,0,0,0,0|2,0,0]=4 18040 B11R0.124 COC(CSCCCC=O)OC 62a_100000751394_200011292268 [0,2,0,0,0,0|2,0,0]=4 18041 B11R0.124 COC(CSCCCC=O)OC 62a_200011292268_100000751394 [0,2,0,0,0,0|2,0,0]=4 18042 B11R0.124 COCCCCOC(C=O)C=O 34a_100000740925_100000736813 [0,2,0,0,0,0|2,0,0]=4 18043 B11R0.124 COCCCCSC(C=O)C=O 62a_100000730899_100000736813 [0,2,0,0,0,0|2,0,0]=4 18044 B11R0.124 COCCCCSC(C=O)C=O 62a_100000736813_100000730899 [0,2,0,0,0,0|2,0,0]=4 18045 B11R0.124 CSCCCCOC(C=O)C=O 34a_100011217163_100000736813 [0,2,0,0,0,0|2,0,0]=4 18046 B11R0.124 NCCCCCOC(C=O)C=O 34a_100000762737_100000736813 [0,2,0,0,0,0|2,0,0]=4 18047 B11R0.124 O=CC(C=O)NCCCCCO 2230a_100000762737_100000736813 [0,2,0,0,0,0|2,0,0]=4 18048 B11R0.124 O=CC(C=O)NCCCCCO 34a_100000762737_100000736813 [0,2,0,0,0,0|2,0,0]=4 18049 B11R0.124 O=CC(C=O)OCCCCCBr 34a_100000746331_100000736813 [0,2,0,0,0,0|2,0,0]=4 18050 B11R0.124 O=CC(C=O)OCCCCCCl 34a_100000746330_100000736813 [0,2,0,0,0,0|2,0,0]=4 18051 B11R0.124 O=CC(C=O)OCCCCCI 34a_200012148887_100000736813 [0,2,0,0,0,0|2,0,0]=4 18052 B11R0.124 O=CC(C=O)SCCCCCF 62a_100000729378_100000736813 [0,2,0,0,0,0|2,0,0]=4 18053 B11R0.124 O=CC(C=O)SCCCCCF 62a_100000736813_100000729378 [0,2,0,0,0,0|2,0,0]=4 18054 B11R0.124 O=CC(C=O)SCCCCCO 62a_100000736813_100000746330 [0,2,0,0,0,0|2,0,0]=4 18055 B11R0.124 O=CC(C=O)SCCCCCO 62a_100000746330_100000736813 [0,2,0,0,0,0|2,0,0]=4 18056 B11R0.124 O=CCCCCNC(CO)CO 2230a_100000759517_100000139335 [0,2,0,0,0,0|2,0,0]=4 18057 B11R0.124 O=CCCCCOC(CCl)CCl 7a_100000737055_100000139335 [0,2,0,0,0,0|2,0,0]=4 18058 B11R0.124 O=CCCCCOC(CF)CF 7a_100000032261_100000139335 [0,2,0,0,0,0|2,0,0]=4 18059 B11R0.124 O=CCCCCO[C@@H](CF)CCl 7a_100015614560_100000139335 [0,2,0,0,0,0|2,0,0]=4 18060 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,2,0,0,0,0|1,0,1]=4 18061 B11R0.154 C=CC(C)OC(C)CCCCC 34a_100000695699_200011218191 [0,2,0,0,0,0|2,0,0]=4 18062 B11R0.154 C=CC(C)SC(C)CCCCC 62a_100011215867_200011218191 [0,2,0,0,0,0|2,0,0]=4 18063 B11R0.154 C=CC(O)CN(C)CCCCC 2230a_100000223495_100000730141 [0,2,0,0,0,0|2,0,0]=4 18064 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000708755_100000757094 [0,2,0,0,0,0|1,0,1]=4 18065 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000766728_100000748023 [0,2,0,0,0,0|1,0,1]=4 18066 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100000766728_100011218378 [0,2,0,0,0,0|1,0,1]=4 18067 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100011667805_100000757094 [0,2,0,0,0,0|1,0,1]=4 18068 B11R0.154 C=CCCCC(=O)C[C@@H](C)CC 1458a_100000766728_100009816398 [0,2,0,0,0,0|1,0,1]=4 18069 B11R0.154 C=CCCCN(C)CC(C)CC 2230a_100000753921_100011713584 [0,2,0,0,0,0|2,0,0]=4 18070 B11R0.154 C=CCCCN(C)CC(C)CC 269982a_100000753921_100000757094 [0,2,0,0,0,0|2,0,0]=4 18071 B11R0.154 C=CCCNC(C)CC(C)CC 2230a_100000763565_100000754431 [0,2,0,0,0,0|2,0,0]=4 18072 B11R0.154 C=CCCNC(C)CC(C)CC 270004a_100015191253_100011710205 [0,2,0,0,0,0|2,0,0]=4 18073 B11R0.154 CCC(C)CN(C)CCCC=O 2230a_100000753921_200011292268 [0,2,0,0,0,0|1,0,0]=3 18074 B11R0.154 CCC(C)CN(C)CCCC=O 269982a_100000753921_200011292268 [0,2,0,0,0,0|1,0,0]=3 18075 B11R0.154 CN(CCCC=O)CC(O)CO 2230a_100011216503_200011292268 [0,2,0,0,0,0|2,0,0]=4 18076 B11R0.154 CN(CCCC=O)CC(O)CO 269982a_100011216503_200011292268 [0,2,0,0,0,0|2,0,0]=4 18077 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [0,2,0,0,0,0|1,0,1]=4 18078 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [0,2,0,0,0,0|1,0,1]=4 18079 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [0,2,0,0,0,0|1,0,1]=4 18080 B11R0.11 C=CCCC(C)N(C)CCCC 270004a_100000207549_100000762624 [0,2,0,0,0,0|2,0,0]=4 18081 B11R0.11 C=CCCN(C)C(C)CCCC 2230a_100020639649_200011215066 [0,2,0,0,0,0|2,0,0]=4 18082 B11R0.11 C=CCCN(C)C(C)CCCC 269982a_100020639649_200011215066 [0,2,0,0,0,0|2,0,0]=4 18083 B11R0.11 C=CCCN(C)C(C)CCCC 270004a_100020639649_100000210087 [0,2,0,0,0,0|2,0,0]=4 18084 B11R0.152 C#CC(CCCC)OCCC=C 34a_200011217967_100000754431 [0,2,0,0,0,0|2,0,0]=4 18085 B11R0.152 C#CC(CCCC)OCCC=C 7a_200011217967_100000754431 [0,2,0,0,0,0|2,0,0]=4 18086 B11R0.152 C#CC(CCCCC)OCC=C 34a_100011216489_100015514636 [0,2,0,0,0,0|2,0,0]=4 18087 B11R0.152 C#CC(CCCCC)OCC=C 7a_100011216489_100015514636 [0,2,0,0,0,0|2,0,0]=4 18088 B11R0.152 C#CC(CCCCC)OCC=O 34a_100011216489_200009817547 [0,2,0,0,0,0|1,0,0]=3 18089 B11R0.152 C#CC(CCCCC)OCC=O 7a_100011216489_200015260668 [0,2,0,0,0,0|1,0,0]=3 18090 B11R0.152 C=CC(CCCCC)OCC=O 34a_100011216863_200009817547 [0,2,0,0,0,0|1,0,0]=3 18091 B11R0.152 C=CC(CCCCC)OCC=O 7a_100011216863_200015260668 [0,2,0,0,0,0|1,0,0]=3 18092 B11R0.152 C=CCCCN(CC)CCCC 2230a_100000207695_100011713584 [0,2,0,0,0,0|2,0,0]=4 18093 B11R0.152 C=CCCCN(CC)CCCC 269982a_100000207695_100000757094 [0,2,0,0,0,0|2,0,0]=4 18094 B11R0.152 C=CCCNC(CC)CCCC 270004a_100015191253_100000753412 [0,2,0,0,0,0|2,0,0]=4 18095 B11R0.152 C=CCCN[C@H](CO)CCCC 2230a_100011934283_100000754431 [0,2,0,0,0,0|2,0,0]=4 18096 B11R0.152 C=CCCN[C@H](CO)CCCC 34a_100011934283_100000754431 [0,2,0,0,0,0|2,0,0]=4 18097 B11R0.152 C=CCCOC(C=C)CCCC 34a_200011215037_100000754431 [0,2,0,0,0,0|2,0,0]=4 18098 B11R0.152 C=CCCOC(C=C)CCCC 7a_200011215037_100000754431 [0,2,0,0,0,0|2,0,0]=4 18099 B11R0.152 C=CCCOC(CC)CCCC 34a_100011205117_200011216223 [0,2,0,0,0,0|2,0,0]=4 18100 B11R0.152 C=CCCOC(CC)CCCC 34a_100011215227_100000754431 [0,2,0,0,0,0|2,0,0]=4 18101 B11R0.152 C=CCCOC(CC)CCCC 7a_100011215227_100000754431 [0,2,0,0,0,0|2,0,0]=4 18102 B11R0.152 C=CCCSC(CC)CCCC 62a_100000754431_200011216223 [0,2,0,0,0,0|2,0,0]=4 18103 B11R0.152 C=CCCSC(CC)CCCC 62a_200011216223_100000754431 [0,2,0,0,0,0|2,0,0]=4 18104 B11R0.152 C=CCNC(CC)CCCCC 270004a_100020586998_100011215316 [0,2,0,0,0,0|2,0,0]=4 18105 B11R0.152 C=CCNCC(CC)CCCC 2230a_100000209976_100000210623 [0,2,0,0,0,0|2,0,0]=4 18106 B11R0.152 C=CCNCC(CC)CCCC 2230a_100020586998_100000211942 [0,2,0,0,0,0|2,0,0]=4 18107 B11R0.152 C=CCNCC(CC)CCCC 270004a_100020586998_100011219736 [0,2,0,0,0,0|2,0,0]=4 18108 B11R0.152 C=CCOC(C=C)CCCCC 34a_100011216863_100015514636 [0,2,0,0,0,0|2,0,0]=4 18109 B11R0.152 C=CCOC(C=C)CCCCC 7a_100011216863_100015514636 [0,2,0,0,0,0|2,0,0]=4 18110 B11R0.152 C=CCOC(CC)CCCCC 34a_100011215405_100015514636 [0,2,0,0,0,0|2,0,0]=4 18111 B11R0.152 C=CCOC(CC)CCCCC 7a_100011215405_100015514636 [0,2,0,0,0,0|2,0,0]=4 18112 B11R0.152 C=CCOCC(CC)CCCC 34a_100000210273_100015514636 [0,2,0,0,0,0|2,0,0]=4 18113 B11R0.152 C=CCOCC(CC)CCCC 34a_200000210373_100000211942 [0,2,0,0,0,0|2,0,0]=4 18114 B11R0.152 C=CCOCC(CC)CCCC 7a_100000210273_100015514636 [0,2,0,0,0,0|2,0,0]=4 18115 B11R0.152 C=CCSCC(CC)CCCC 62a_100000210623_100000211942 [0,2,0,0,0,0|2,0,0]=4 18116 B11R0.152 C=CCSCC(CC)CCCC 62a_100000211942_100000210623 [0,2,0,0,0,0|2,0,0]=4 18117 B11R0.152 CCCCC(CC)CNCC=O 2230a_100000209976_200015260668 [0,2,0,0,0,0|1,0,0]=3 18118 B11R0.152 CCCCC(CC)COCC=O 34a_100000210273_200009817547 [0,2,0,0,0,0|1,0,0]=3 18119 B11R0.152 CCCCC(CC)COCC=O 7a_100000210273_200015260668 [0,2,0,0,0,0|1,0,0]=3 18120 B11R0.152 CCCCC(CC)CSCC=O 62a_100000211942_200015260668 [0,2,0,0,0,0|1,0,0]=3 18121 B11R0.152 CCCCC(CC)CSCC=O 62a_200015260668_100000211942 [0,2,0,0,0,0|1,0,0]=3 18122 B11R0.152 CCCCCC(CC)OCC=O 34a_100011215405_200009817547 [0,2,0,0,0,0|1,0,0]=3 18123 B11R0.152 CCCCCC(CC)OCC=O 7a_100011215405_200015260668 [0,2,0,0,0,0|1,0,0]=3 18124 B11R0.152 CCCCCC(CCCC)NC 270004a_106832991635_200011218572 [0,2,0,0,0,0|1,0,1]=4 18125 B11R0.152 CCCCN(CC)CCCC=O 2230a_100000207695_200011292268 [0,2,0,0,0,0|1,0,0]=3 18126 B11R0.152 CCCCN(CC)CCCC=O 269982a_100000207695_200011292268 [0,2,0,0,0,0|1,0,0]=3 18127 B11R0.152 CCN(CCCC=O)CCOC 2230a_100000731262_200011292268 [0,2,0,0,0,0|2,0,0]=4 18128 B11R0.152 CCN(CCCC=O)CCOC 269982a_100000731262_200011292268 [0,2,0,0,0,0|2,0,0]=4 18129 B11R0.321 C=CCCOC(C)(C)CCCC 7a_100011219641_100000754431 [0,2,0,0,0,0|2,0,0]=4 18130 B11R0.321 C=CCOCC(C)(C)CCCC 7a_200011995781_100015514636 [0,2,0,0,0,0|2,0,0]=4 18131 B11R0.321 CCCCC(C)(C)COCC=O 7a_200011995781_200015260668 [0,2,0,0,0,0|1,0,0]=3 18132 B11R0.321 CCCC[Si](C)(C)CSCC=O 62a_200000073895_200015260668 [0,2,0,0,0,0|1,1,0]=4 18133 B11R0.321 CCCC[Si](C)(C)CSCC=O 62a_200015260668_200000073895 [0,2,0,0,0,0|1,1,0]=4 18134 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|1,0,1]=4 18135 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 18136 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,1]=4 18137 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 18138 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|1,0,1]=4 18139 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 18140 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,1]=4 18141 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 18142 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,1]=4 18143 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|1,0,1]=4 18144 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|1,0,1]=4 18145 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,1]=4 18146 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,1]=4 18147 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|1,0,1]=4 18148 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|1,0,1]=4 18149 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|1,0,1]=4 18150 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|1,0,1]=4 18151 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|1,0,1]=4 18152 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|1,0,1]=4 18153 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 18154 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 18155 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 18156 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,1]=4 18157 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 18158 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|1,0,1]=4 18159 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|1,0,1]=4 18160 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|1,0,1]=4 18161 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 18162 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 18163 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,1]=4 18164 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 18165 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|1,0,1]=4 18166 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|1,0,1]=4 18167 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,1]=4 18168 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,1]=4 18169 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|2,0,0]=4 18170 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 18171 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 18172 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,0,0,1,0,0|2,0,0]=4 18173 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,0,0,1,0,0|2,0,0]=4 18174 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [1,0,0,1,0,0|2,0,0]=4 18175 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [1,0,0,1,0,0|2,0,0]=4 18176 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [1,0,0,1,0,0|2,0,0]=4 18177 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 18178 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 18179 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [1,0,0,1,0,0|2,0,0]=4 18180 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 18181 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 18182 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|1,0,1]=4 18183 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|1,0,1]=4 18184 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 18185 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 18186 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|1,0,1]=4 18187 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|1,0,1]=4 18188 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 18189 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 18190 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 18191 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|1,0,1]=4 18192 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|1,0,1]=4 18193 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,1]=4 18194 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,1]=4 18195 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|2,0,0]=4 18196 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [1,0,0,1,0,0|1,0,1]=4 18197 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [1,0,0,1,0,0|1,0,1]=4 18198 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [1,0,0,1,0,0|1,0,1]=4 18199 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [1,0,0,1,0,0|1,0,1]=4 18200 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [1,0,0,1,0,0|1,0,1]=4 18201 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [1,0,0,1,0,0|1,0,1]=4 18202 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [1,0,0,1,0,0|1,0,1]=4 18203 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [1,0,0,1,0,0|1,0,1]=4 18204 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [1,0,0,1,0,0|1,0,1]=4 18205 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [1,0,0,1,0,0|1,0,1]=4 18206 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [1,0,0,1,0,0|1,0,1]=4 18207 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|1,0,1]=4 18208 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|1,0,1]=4 18209 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 18210 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,1]=4 18211 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 18212 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|1,0,1]=4 18213 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 18214 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 18215 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,1]=4 18216 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|1,0,1]=4 18217 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|1,0,1]=4 18218 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 18219 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,1]=4 18220 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,1]=4 18221 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 18222 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,1]=4 18223 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 18224 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 18225 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,1]=4 18226 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,1]=4 18227 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,1]=4 18228 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 18229 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 18230 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 18231 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,1]=4 18232 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,1]=4 18233 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,1]=4 18234 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,1]=4 18235 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|1,0,1]=4 18236 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|1,0,1]=4 18237 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|1,0,1]=4 18238 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|1,0,1]=4 18239 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|1,0,1]=4 18240 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|1,0,1]=4 18241 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|1,0,1]=4 18242 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|1,0,1]=4 18243 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|1,0,1]=4 18244 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|1,0,1]=4 18245 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 18246 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 18247 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 18248 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 18249 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [1,0,0,1,0,0|2,0,0]=4 18250 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 18251 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 18252 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [1,0,0,1,0,0|2,0,0]=4 18253 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [1,0,0,1,0,0|2,0,0]=4 18254 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|2,0,0]=4 18255 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 18256 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 18257 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [1,0,0,1,0,0|2,0,0]=4 18258 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [1,0,0,1,0,0|2,0,0]=4 18259 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|2,0,0]=4 18260 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,1,0,0|1,0,0]=3 18261 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,1,0,0|1,0,0]=3 18262 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [1,0,0,1,0,0|2,0,0]=4 18263 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [1,0,0,1,0,0|2,0,0]=4 18264 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [1,0,0,1,0,0|2,0,0]=4 18265 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,1,0,0|1,0,0]=3 18266 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,1,0,0|1,0,0]=3 18267 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [1,0,0,1,0,0|2,0,0]=4 18268 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [1,0,0,1,0,0|2,0,0]=4 18269 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [1,0,0,1,0,0|2,0,0]=4 18270 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,1,0,0|1,0,0]=3 18271 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,1,0,0|1,0,0]=3 18272 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [1,0,0,1,0,0|2,0,0]=4 18273 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,1]=4 18274 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,1]=4 18275 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,1]=4 18276 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,1]=4 18277 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,1]=4 18278 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,1]=4 18279 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,1]=4 18280 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,1]=4 18281 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,1]=4 18282 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,1]=4 18283 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,1]=4 18284 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|1,0,1]=4 18285 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|1,0,1]=4 18286 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|1,0,1]=4 18287 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|1,0,1]=4 18288 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|1,0,1]=4 18289 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|1,0,1]=4 18290 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|1,0,1]=4 18291 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|1,0,1]=4 18292 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 18293 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,1]=4 18294 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 18295 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 18296 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 18297 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 18298 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,1]=4 18299 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 18300 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|1,0,1]=4 18301 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|1,0,1]=4 18302 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|1,0,1]=4 18303 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|1,0,1]=4 18304 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 18305 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 18306 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|1,0,1]=4 18307 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|1,0,1]=4 18308 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|1,0,1]=4 18309 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|1,0,1]=4 18310 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|1,0,1]=4 18311 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|1,0,1]=4 18312 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 18313 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,1]=4 18314 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 18315 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 18316 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 18317 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 18318 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,0]=3 18319 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,0]=3 18320 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|1,0,1]=4 18321 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|1,0,1]=4 18322 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|1,0,1]=4 18323 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|1,0,1]=4 18324 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|2,0,0]=4 18325 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 18326 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 18327 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 18328 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 18329 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 18330 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 18331 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [1,0,0,1,0,0|2,0,0]=4 18332 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [1,0,0,1,0,0|2,0,0]=4 18333 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 18334 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 18335 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,0]=3 18336 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,0]=3 18337 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|1,0,1]=4 18338 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|1,0,1]=4 18339 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 18340 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 18341 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,0,0,1,0,0|2,0,0]=4 18342 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,1]=4 18343 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 18344 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 18345 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [1,0,0,1,0,0|2,0,0]=4 18346 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 18347 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 18348 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,0,0,1,0,0|2,0,0]=4 18349 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,0]=3 18350 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,0]=3 18351 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,0,0,1,0,0|2,0,0]=4 18352 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,0,0,1,0,0|2,0,0]=4 18353 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,1]=4 18354 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,1]=4 18355 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 18356 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 18357 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [1,0,0,1,0,0|2,0,0]=4 18358 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [1,0,0,1,0,0|2,0,0]=4 18359 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 18360 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 18361 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 18362 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 18363 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 18364 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 18365 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 18366 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,0]=3 18367 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 18368 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 18369 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 18370 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 18371 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 18372 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,0,0,1,0,0|2,0,0]=4 18373 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,0]=3 18374 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,0]=3 18375 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,0,0,1,0,0|2,0,0]=4 18376 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,0,0,1,0,0|2,0,0]=4 18377 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,1]=4 18378 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,1]=4 18379 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 18380 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 18381 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [1,0,0,1,0,0|2,0,0]=4 18382 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [1,0,0,1,0,0|2,0,0]=4 18383 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [1,0,0,1,0,0|1,0,1]=4 18384 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [1,0,0,1,0,0|1,0,1]=4 18385 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [1,0,0,1,0,0|1,0,0]=3 18386 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [1,0,0,1,0,0|1,0,0]=3 18387 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 18388 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 18389 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,1]=4 18390 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,1]=4 18391 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [1,0,0,1,0,0|2,0,0]=4 18392 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [1,0,0,1,0,0|2,0,0]=4 18393 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [1,0,0,1,0,0|2,0,0]=4 18394 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 18395 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 18396 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [1,0,0,1,0,0|2,0,0]=4 18397 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|2,0,0]=4 18398 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [1,0,0,1,0,0|1,0,1]=4 18399 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [1,0,0,1,0,0|1,0,1]=4 18400 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [1,0,0,1,0,0|1,0,1]=4 18401 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [1,0,0,1,0,0|1,0,1]=4 18402 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [1,0,0,1,0,0|1,0,1]=4 18403 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [1,0,0,1,0,0|1,0,1]=4 18404 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [1,0,0,1,0,0|1,0,1]=4 18405 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [1,0,0,1,0,0|1,0,1]=4 18406 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [1,0,0,1,0,0|1,0,1]=4 18407 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [1,0,0,1,0,0|1,0,1]=4 18408 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [1,0,0,1,0,0|1,0,1]=4 18409 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [1,0,0,1,0,0|1,0,1]=4 18410 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [1,0,0,1,0,0|1,0,1]=4 18411 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [1,0,0,1,0,0|1,0,1]=4 18412 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,1]=4 18413 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [1,0,0,1,0,0|1,0,1]=4 18414 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [1,0,0,1,0,0|1,0,1]=4 18415 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [1,0,0,1,0,0|1,0,1]=4 18416 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|1,0,1]=4 18417 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|1,0,1]=4 18418 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [1,0,0,1,0,0|1,0,1]=4 18419 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 18420 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,1]=4 18421 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 18422 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 18423 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 18424 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|1,0,1]=4 18425 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|1,0,1]=4 18426 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,1]=4 18427 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,1]=4 18428 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|1,0,1]=4 18429 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|1,0,1]=4 18430 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,1]=4 18431 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,1]=4 18432 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [1,0,0,1,0,0|2,0,0]=4 18433 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [1,0,0,1,0,0|2,0,0]=4 18434 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 18435 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [1,0,0,1,0,0|2,0,0]=4 18436 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 18437 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [1,0,0,1,0,0|2,0,0]=4 18438 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [1,0,0,1,0,0|2,0,0]=4 18439 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [1,0,0,1,0,0|2,0,0]=4 18440 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [1,0,0,1,0,0|2,0,0]=4 18441 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 18442 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [1,0,0,1,0,0|2,0,0]=4 18443 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [1,0,0,1,0,0|2,0,0]=4 18444 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 18445 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|2,0,0]=4 18446 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [1,0,0,1,0,0|2,0,0]=4 18447 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [1,0,0,1,0,0|2,0,0]=4 18448 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [1,0,0,1,0,0|2,0,0]=4 18449 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|2,0,0]=4 18450 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [1,0,0,1,0,0|1,0,0]=3 18451 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [1,0,0,1,0,0|1,0,0]=3 18452 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [1,0,0,1,0,0|1,0,0]=3 18453 B9R1.17 O=CCNCC1COC1 2230a_100015281925_200015260668 [1,0,0,1,0,0|2,0,0]=4 18454 B9R1.17 O=CCNCC1COC1 34a_100015281925_200009817547 [1,0,0,1,0,0|2,0,0]=4 18455 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [1,0,0,1,0,0|2,0,0]=4 18456 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [1,0,0,1,0,0|2,0,0]=4 18457 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [1,0,0,1,0,0|1,0,0]=3 18458 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [1,0,0,1,0,0|2,0,0]=4 18459 B9R1.17 O=CCOCC1CNC1 34a_100016987283_200009817547 [1,0,0,1,0,0|2,0,0]=4 18460 B9R1.17 O=CCOCC1COC1 34a_100000060846_200009817547 [1,0,0,1,0,0|2,0,0]=4 18461 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [1,0,0,1,0,0|1,0,0]=3 18462 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [1,0,0,1,0,0|1,0,0]=3 18463 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [1,0,0,1,0,0|2,0,0]=4 18464 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [1,0,0,1,0,0|2,0,0]=4 18465 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [1,0,0,1,0,0|2,0,0]=4 18466 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [1,0,0,1,0,0|2,0,0]=4 18467 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,1]=4 18468 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 18469 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,1]=4 18470 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 18471 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,1]=4 18472 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,1]=4 18473 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,1]=4 18474 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,1]=4 18475 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,1]=4 18476 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,1]=4 18477 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,1]=4 18478 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,1]=4 18479 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,1]=4 18480 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,1]=4 18481 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [1,0,0,1,0,0|1,0,1]=4 18482 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [1,0,0,1,0,0|1,0,1]=4 18483 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [1,0,0,1,0,0|1,0,1]=4 18484 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [1,0,0,1,0,0|1,0,1]=4 18485 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [1,0,0,1,0,0|1,0,1]=4 18486 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 18487 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 18488 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 18489 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 18490 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [1,0,0,1,0,0|2,0,0]=4 18491 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 18492 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 18493 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 18494 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 18495 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 18496 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|1,0,0]=3 18497 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,1]=4 18498 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 18499 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 18500 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|2,0,0]=4 18501 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|1,0,0]=3 18502 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|1,0,0]=3 18503 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 18504 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 18505 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|2,0,0]=4 18506 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 18507 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 18508 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 18509 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|1,0,0]=3 18510 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|1,0,0]=3 18511 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|2,0,0]=4 18512 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|2,0,0]=4 18513 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,1]=4 18514 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,1]=4 18515 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 18516 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [1,0,0,1,0,0|2,0,0]=4 18517 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [1,0,0,1,0,0|2,0,0]=4 18518 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [1,0,0,1,0,0|1,0,0]=3 18519 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [1,0,0,1,0,0|1,0,0]=3 18520 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [1,0,0,1,0,0|1,0,0]=3 18521 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 18522 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 18523 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 18524 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 18525 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 18526 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 18527 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [1,0,0,1,0,0|1,0,0]=3 18528 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [1,0,0,1,0,0|1,0,0]=3 18529 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 18530 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 18531 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,1]=4 18532 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,1]=4 18533 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [1,0,0,1,0,0|2,0,0]=4 18534 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [1,0,0,1,0,0|2,0,0]=4 18535 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [1,0,0,1,0,0|2,0,0]=4 18536 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 18537 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [1,0,0,1,0,0|2,0,0]=4 18538 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [1,0,0,1,0,0|2,0,0]=4 18539 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [1,0,0,1,0,0|1,0,1]=4 18540 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [1,0,0,1,0,0|1,0,1]=4 18541 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 18542 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 18543 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,1]=4 18544 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,1]=4 18545 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [1,0,0,1,0,0|1,0,1]=4 18546 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [1,0,0,1,0,0|1,0,1]=4 18547 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|1,0,0]=3 18548 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|1,0,0]=3 18549 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|1,0,0]=3 18550 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 18551 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 18552 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [1,0,0,1,0,0|2,0,0]=4 18553 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [1,0,0,1,0,0|2,0,0]=4 18554 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|1,0,0]=3 18555 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|1,0,0]=3 18556 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [1,0,0,1,0,0|2,0,0]=4 18557 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [1,0,0,1,0,0|2,0,0]=4 18558 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [1,0,0,1,0,0|2,0,0]=4 18559 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [1,0,0,1,0,0|2,0,0]=4 18560 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [1,0,0,1,0,0|2,0,0]=4 18561 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 18562 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [1,0,0,1,0,0|2,0,0]=4 18563 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [1,0,0,1,0,0|2,0,0]=4 18564 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 18565 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [1,0,0,1,0,0|2,0,0]=4 18566 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|1,0,0]=3 18567 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|1,0,0]=3 18568 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|1,0,1]=4 18569 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|1,0,1]=4 18570 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|1,0,1]=4 18571 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|1,0,1]=4 18572 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|1,0,1]=4 18573 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|1,0,1]=4 18574 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [1,0,0,1,0,0|2,0,0]=4 18575 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [1,0,0,1,0,0|2,0,0]=4 18576 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|2,0,0]=4 18577 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [1,0,0,1,0,0|1,0,1]=4 18578 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [1,0,0,1,0,0|1,0,1]=4 18579 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [1,0,0,1,0,0|1,0,1]=4 18580 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [1,0,0,1,0,0|1,0,1]=4 18581 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [1,0,0,1,0,0|1,0,1]=4 18582 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [1,0,0,1,0,0|1,0,1]=4 18583 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [1,0,0,1,0,0|1,0,1]=4 18584 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [1,0,0,1,0,0|1,0,1]=4 18585 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [1,0,0,1,0,0|1,0,1]=4 18586 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [1,0,0,1,0,0|1,0,1]=4 18587 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [1,0,0,1,0,0|1,0,1]=4 18588 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [1,0,0,1,0,0|1,0,1]=4 18589 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [1,0,0,1,0,0|1,0,1]=4 18590 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [1,0,0,1,0,0|1,0,1]=4 18591 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [1,0,0,1,0,0|1,0,1]=4 18592 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [1,0,0,1,0,0|1,0,1]=4 18593 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [1,0,0,1,0,0|1,0,1]=4 18594 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [1,0,0,1,0,0|1,0,1]=4 18595 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [1,0,0,1,0,0|1,0,1]=4 18596 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,1]=4 18597 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|1,0,1]=4 18598 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|1,0,1]=4 18599 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [1,0,0,1,0,0|1,0,1]=4 18600 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [1,0,0,1,0,0|1,0,1]=4 18601 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [1,0,0,1,0,0|1,0,1]=4 18602 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [1,0,0,1,0,0|1,0,1]=4 18603 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [1,0,0,1,0,0|1,0,1]=4 18604 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,1]=4 18605 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,1]=4 18606 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [1,0,0,1,0,0|1,1,0]=4 18607 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,1]=4 18608 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|1,0,1]=4 18609 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|1,0,1]=4 18610 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|1,0,1]=4 18611 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 18612 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 18613 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [1,0,0,1,0,0|1,1,0]=4 18614 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,1]=4 18615 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,1]=4 18616 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [1,0,0,1,0,0|1,0,1]=4 18617 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [1,0,0,1,0,0|1,0,1]=4 18618 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,1]=4 18619 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,1]=4 18620 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [1,0,0,1,0,0|1,1,0]=4 18621 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [1,0,0,1,0,0|1,1,0]=4 18622 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,1]=4 18623 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,1]=4 18624 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,1]=4 18625 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|1,0,1]=4 18626 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 18627 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 18628 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,1]=4 18629 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,1]=4 18630 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|1,0,1]=4 18631 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|1,0,1]=4 18632 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,1]=4 18633 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,1]=4 18634 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,1]=4 18635 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,1]=4 18636 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,1]=4 18637 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,1]=4 18638 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [1,0,0,1,0,0|2,0,0]=4 18639 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [1,0,0,1,0,0|2,0,0]=4 18640 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [1,0,0,1,0,0|2,0,0]=4 18641 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [1,0,0,1,0,0|2,0,0]=4 18642 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [1,0,0,1,0,0|2,0,0]=4 18643 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 18644 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 18645 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [1,0,0,1,0,0|2,0,0]=4 18646 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 18647 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 18648 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [1,0,0,1,0,0|2,0,0]=4 18649 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [1,0,0,1,0,0|2,0,0]=4 18650 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [1,0,0,1,0,0|2,0,0]=4 18651 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [1,0,0,1,0,0|2,0,0]=4 18652 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [1,0,0,1,0,0|2,0,0]=4 18653 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [1,0,0,1,0,0|2,0,0]=4 18654 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 18655 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 18656 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [1,0,0,1,0,0|2,0,0]=4 18657 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [1,0,0,1,0,0|2,0,0]=4 18658 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [1,0,0,1,0,0|2,0,0]=4 18659 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 18660 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [1,0,0,1,0,0|2,0,0]=4 18661 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|2,0,0]=4 18662 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [1,0,0,1,0,0|1,0,0]=3 18663 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [1,0,0,1,0,0|1,0,0]=3 18664 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [1,0,0,1,0,0|1,0,0]=3 18665 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [1,0,0,1,0,0|1,0,0]=3 18666 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [1,0,0,1,0,0|2,0,0]=4 18667 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [1,0,0,1,0,0|1,0,0]=3 18668 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [1,0,0,1,0,0|1,0,0]=3 18669 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [1,0,0,1,0,0|2,0,0]=4 18670 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [1,0,0,1,0,0|2,0,0]=4 18671 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,1]=4 18672 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,1]=4 18673 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,1]=4 18674 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 18675 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,1]=4 18676 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 18677 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,1]=4 18678 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,1]=4 18679 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,1]=4 18680 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,1]=4 18681 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,1]=4 18682 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,1]=4 18683 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 18684 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 18685 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,1]=4 18686 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,1]=4 18687 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 18688 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,1]=4 18689 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 18690 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|1,0,1]=4 18691 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|1,0,1]=4 18692 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|1,0,1]=4 18693 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|1,0,1]=4 18694 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|1,0,1]=4 18695 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|1,0,1]=4 18696 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|1,0,1]=4 18697 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|1,0,1]=4 18698 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|1,0,1]=4 18699 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 18700 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 18701 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|1,0,1]=4 18702 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|1,0,1]=4 18703 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|1,0,1]=4 18704 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|1,0,1]=4 18705 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|1,0,1]=4 18706 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|1,0,1]=4 18707 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [0,1,0,1,0,0|1,0,1]=4 18708 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [0,1,0,1,0,0|1,0,1]=4 18709 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [0,1,0,1,0,0|1,0,1]=4 18710 B11R1.4 C#CCCCCN1CCCC1 2230a_100000188435_100010269958 [0,1,0,1,0,0|1,0,1]=4 18711 B11R1.4 C#CCCCCN1CCCC1 269982a_100000188435_100010269958 [0,1,0,1,0,0|1,0,1]=4 18712 B11R1.4 C#CCCCNC1CCCC1 2230a_100000211070_100000731252 [0,1,0,1,0,0|1,0,1]=4 18713 B11R1.4 C#CCCCNC1CCCC1 270004a_100000718082_100000210133 [0,1,0,1,0,0|1,0,1]=4 18714 B11R1.4 C#CCCCNC1CCCC1 34a_100000211070_100000695029 [0,1,0,1,0,0|1,0,1]=4 18715 B11R1.4 C#CCCCNC1CCCC1 34a_100000718082_100000179811 [0,1,0,1,0,0|1,0,1]=4 18716 B11R1.4 C#CCCCOC1CCCC1 34a_100000210269_100000695029 [0,1,0,1,0,0|1,0,1]=4 18717 B11R1.4 C#CCCCOC1CCCC1 34a_100000215630_100000179811 [0,1,0,1,0,0|1,0,1]=4 18718 B11R1.4 C#CCCCOC1CCCC1 7a_100000210269_100011215417 [0,1,0,1,0,0|1,0,1]=4 18719 B11R1.4 C#CCCCOC1CCCC1 7a_100000215630_100000179811 [0,1,0,1,0,0|1,0,1]=4 18720 B11R1.4 C#CCCCSC1CCCC1 62a_100011215417_100000179811 [0,1,0,1,0,0|1,0,1]=4 18721 B11R1.4 C#CCCCSC1CCCC1 62a_100011217020_100011215417 [0,1,0,1,0,0|1,0,1]=4 18722 B11R1.4 C#CCCNCC1CCCC1 2230a_100000737975_100000688953 [0,1,0,1,0,0|1,0,1]=4 18723 B11R1.4 C#CCCNCC1CCCC1 34a_100000737975_100000688953 [0,1,0,1,0,0|1,0,1]=4 18724 B11R1.4 C#CCCNCC1CCCC1 34a_100000755551_100000740388 [0,1,0,1,0,0|1,0,1]=4 18725 B11R1.4 C#CCCOCC1CCCC1 34a_100000742336_100000688953 [0,1,0,1,0,0|1,0,1]=4 18726 B11R1.4 C#CCCOCC1CCCC1 34a_100011215631_100000740388 [0,1,0,1,0,0|1,0,1]=4 18727 B11R1.4 C#CCCOCC1CCCC1 7a_100000742336_100000688953 [0,1,0,1,0,0|1,0,1]=4 18728 B11R1.4 C#CCCSCC1CCCC1 62a_100000688953_100000740388 [0,1,0,1,0,0|1,0,1]=4 18729 B11R1.4 C#CCCSCC1CCCC1 62a_100000740388_100000688953 [0,1,0,1,0,0|1,0,1]=4 18730 B11R1.4 C#CCNCCC1CCCC1 2230a_100000739158_100000038162 [0,1,0,1,0,0|1,0,1]=4 18731 B11R1.4 C#CCNCCC1CCCC1 34a_100000212058_100000760354 [0,1,0,1,0,0|1,0,1]=4 18732 B11R1.4 C#CCNCCC1CCCC1 34a_100000739158_100000184674 [0,1,0,1,0,0|1,0,1]=4 18733 B11R1.4 C#CCOCCC1CCCC1 34a_100000210247_100000760354 [0,1,0,1,0,0|1,0,1]=4 18734 B11R1.4 C#CCOCCC1CCCC1 34a_100000749090_100000184674 [0,1,0,1,0,0|1,0,1]=4 18735 B11R1.4 C#CCOCCC1CCCC1 7a_100000749090_100000038162 [0,1,0,1,0,0|1,0,1]=4 18736 B11R1.4 C#CCSCCC1CCCC1 62a_100000038162_100000760354 [0,1,0,1,0,0|1,0,1]=4 18737 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [0,1,0,1,0,0|1,0,1]=4 18738 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [0,1,0,1,0,0|1,0,1]=4 18739 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [0,1,0,1,0,0|1,0,1]=4 18740 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [0,1,0,1,0,0|1,0,1]=4 18741 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [0,1,0,1,0,0|1,0,1]=4 18742 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [0,1,0,1,0,0|1,0,1]=4 18743 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [0,1,0,1,0,0|1,0,1]=4 18744 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [0,1,0,1,0,0|1,0,0]=3 18745 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [0,1,0,1,0,0|1,0,0]=3 18746 B11R1.4 C=CCCCCN1CCSC1 2230a_100011215254_100011215482 [0,1,0,1,0,0|2,0,0]=4 18747 B11R1.4 C=CCCCCN1CCSC1 269982a_100011215254_100011215482 [0,1,0,1,0,0|2,0,0]=4 18748 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [0,1,0,1,0,0|1,0,0]=3 18749 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [0,1,0,1,0,0|1,0,0]=3 18750 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [0,1,0,1,0,0|1,0,0]=3 18751 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [0,1,0,1,0,0|1,0,0]=3 18752 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [0,1,0,1,0,0|1,0,0]=3 18753 B11R1.4 C=CCCCNC1CCOC1 2230a_100000700776_100000731011 [0,1,0,1,0,0|2,0,0]=4 18754 B11R1.4 C=CCCCNC1CCOC1 270004a_100000700776_100000752484 [0,1,0,1,0,0|2,0,0]=4 18755 B11R1.4 C=CCCCNC1CCOC1 34a_100000700776_100000690089 [0,1,0,1,0,0|2,0,0]=4 18756 B11R1.4 C=CCCCNC1CCSC1 270004a_100000700776_100000212027 [0,1,0,1,0,0|2,0,0]=4 18757 B11R1.4 C=CCCCN[C@@H]1CCOC1 2230a_200015188469_100011713584 [0,1,0,1,0,0|2,0,0]=4 18758 B11R1.4 C=CCCCN[C@H]1CCOC1 2230a_100015188467_100011713584 [0,1,0,1,0,0|2,0,0]=4 18759 B11R1.4 C=CCCCN[C@H]1CCOC1 34a_100015188467_100000757094 [0,1,0,1,0,0|2,0,0]=4 18760 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [0,1,0,1,0,0|1,0,0]=3 18761 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [0,1,0,1,0,0|1,0,0]=3 18762 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [0,1,0,1,0,0|1,0,0]=3 18763 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [0,1,0,1,0,0|1,0,0]=3 18764 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [0,1,0,1,0,0|2,0,0]=4 18765 B11R1.4 C=CCCCOC1CCOC1 34a_100000758997_100000690089 [0,1,0,1,0,0|2,0,0]=4 18766 B11R1.4 C=CCCCOC1CCOC1 7a_100000758997_100000731011 [0,1,0,1,0,0|2,0,0]=4 18767 B11R1.4 C=CCCCOC1CCSC1 7a_100011232664_100000757094 [0,1,0,1,0,0|2,0,0]=4 18768 B11R1.4 C=CCCCO[C@H]1CCOC1 34a_100000717292_100000757094 [0,1,0,1,0,0|2,0,0]=4 18769 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [0,1,0,1,0,0|1,0,0]=3 18770 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [0,1,0,1,0,0|1,0,0]=3 18771 B11R1.4 C=CCCCSC1CCOC1 62a_100011713584_100000690089 [0,1,0,1,0,0|2,0,0]=4 18772 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [0,1,0,1,0,0|1,0,0]=3 18773 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [0,1,0,1,0,0|1,0,0]=3 18774 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [0,1,0,1,0,0|1,0,0]=3 18775 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [0,1,0,1,0,0|1,0,0]=3 18776 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [0,1,0,1,0,0|2,0,0]=4 18777 B11R1.4 C=CCCNCC1CCOC1 2230a_100000737293_100000754431 [0,1,0,1,0,0|2,0,0]=4 18778 B11R1.4 C=CCCNCC1CCOC1 2230a_100015191253_100000702531 [0,1,0,1,0,0|2,0,0]=4 18779 B11R1.4 C=CCCNCC1CCOC1 34a_100000737293_100000754431 [0,1,0,1,0,0|2,0,0]=4 18780 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [0,1,0,1,0,0|2,0,0]=4 18781 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [0,1,0,1,0,0|2,0,0]=4 18782 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [0,1,0,1,0,0|1,0,0]=3 18783 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [0,1,0,1,0,0|1,0,0]=3 18784 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [0,1,0,1,0,0|1,0,0]=3 18785 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,1,0,1,0,0|2,0,0]=4 18786 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,1,0,1,0,0|2,0,0]=4 18787 B11R1.4 C=CCCOCC1CCNC1 34a_100000748654_100000754431 [0,1,0,1,0,0|2,0,0]=4 18788 B11R1.4 C=CCCOCC1CCOC1 34a_100000740260_100000754431 [0,1,0,1,0,0|2,0,0]=4 18789 B11R1.4 C=CCCOCC1CCOC1 34a_100011205117_100011261433 [0,1,0,1,0,0|2,0,0]=4 18790 B11R1.4 C=CCCOC[C@H]1CCCN1 34a_100000745186_100000754431 [0,1,0,1,0,0|2,0,0]=4 18791 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [0,1,0,1,0,0|1,0,0]=3 18792 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [0,1,0,1,0,0|1,0,0]=3 18793 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [0,1,0,1,0,0|2,0,0]=4 18794 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [0,1,0,1,0,0|2,0,0]=4 18795 B11R1.4 C=CCCSCC1CCOC1 62a_100000702531_100000754431 [0,1,0,1,0,0|2,0,0]=4 18796 B11R1.4 C=CCCSCC1CCOC1 62a_100000754431_100000702531 [0,1,0,1,0,0|2,0,0]=4 18797 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [0,1,0,1,0,0|1,0,0]=3 18798 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [0,1,0,1,0,0|1,0,0]=3 18799 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [0,1,0,1,0,0|1,0,0]=3 18800 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [0,1,0,1,0,0|1,0,0]=3 18801 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [0,1,0,1,0,0|1,0,0]=3 18802 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [0,1,0,1,0,0|1,0,0]=3 18803 B11R1.4 C=CCOCCC1CCNC1 34a_100016987287_100015514636 [0,1,0,1,0,0|2,0,0]=4 18804 B11R1.4 C=CCOCCC1CCOC1 34a_100011879284_100015514636 [0,1,0,1,0,0|2,0,0]=4 18805 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [0,1,0,1,0,0|1,0,0]=3 18806 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [0,1,0,1,0,0|1,0,0]=3 18807 B11R1.4 C=CCSCCN1CCCC1 62a_100000210623_100000004467 [0,1,0,1,0,0|2,0,0]=4 18808 B11R1.4 C=CCSCCN1CCCC1 62a_100000700749_100000210623 [0,1,0,1,0,0|2,0,0]=4 18809 B11R1.4 C=COCCNC1CCCC1 2230a_100000211070_100000039644 [0,1,0,1,0,0|2,0,0]=4 18810 B11R1.4 C=COCCNC1CCCC1 34a_100000211070_100000039644 [0,1,0,1,0,0|2,0,0]=4 18811 B11R1.4 C=COCCOC1CCCC1 34a_100000033082_100000179811 [0,1,0,1,0,0|2,0,0]=4 18812 B11R1.4 C=COCCOC1CCCC1 34a_100000210269_100000039644 [0,1,0,1,0,0|2,0,0]=4 18813 B11R1.4 C=COCCOC1CCCC1 7a_100000210269_100000039644 [0,1,0,1,0,0|2,0,0]=4 18814 B11R1.4 C=COCCSC1CCCC1 62a_100000039644_100000179811 [0,1,0,1,0,0|2,0,0]=4 18815 B11R1.4 C=COCCSC1CCCC1 62a_100011217020_100000039644 [0,1,0,1,0,0|2,0,0]=4 18816 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [0,1,0,1,0,0|1,0,1]=4 18817 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [0,1,0,1,0,0|1,0,1]=4 18818 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [0,1,0,1,0,0|1,0,1]=4 18819 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [0,1,0,1,0,0|1,0,1]=4 18820 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [0,1,0,1,0,0|1,0,1]=4 18821 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [0,1,0,1,0,0|1,0,1]=4 18822 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [0,1,0,1,0,0|1,0,1]=4 18823 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,1,0,1,0,0|1,0,1]=4 18824 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,1,0,1,0,0|1,0,1]=4 18825 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [0,1,0,1,0,0|2,0,0]=4 18826 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [0,1,0,1,0,0|2,0,0]=4 18827 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [0,1,0,1,0,0|1,0,1]=4 18828 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [0,1,0,1,0,0|1,0,1]=4 18829 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [0,1,0,1,0,0|1,0,1]=4 18830 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [0,1,0,1,0,0|1,0,1]=4 18831 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [0,1,0,1,0,0|1,0,1]=4 18832 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,1,0,1,0,0|2,0,0]=4 18833 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,1,0,1,0,0|2,0,0]=4 18834 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [0,1,0,1,0,0|2,0,0]=4 18835 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,1,0,1,0,0|2,0,0]=4 18836 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,1,0,1,0,0|2,0,0]=4 18837 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,1,0,1,0,0|2,0,0]=4 18838 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,1,0,1,0,0|1,0,1]=4 18839 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,1,0,1,0,0|1,0,1]=4 18840 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,1,0,1,0,0|1,0,1]=4 18841 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,1,0,1,0,0|1,0,1]=4 18842 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|0,0,2]=4 18843 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,1,0,1,0,0|2,0,0]=4 18844 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,1,0,1,0,0|2,0,0]=4 18845 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [0,1,0,1,0,0|2,0,0]=4 18846 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,1,0,1,0,0|2,0,0]=4 18847 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [0,1,0,1,0,0|1,0,1]=4 18848 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [0,1,0,1,0,0|1,0,1]=4 18849 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,1,0,1,0,0|2,0,0]=4 18850 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [0,1,0,1,0,0|1,0,1]=4 18851 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [0,1,0,1,0,0|1,0,1]=4 18852 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [0,1,0,1,0,0|1,0,1]=4 18853 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [0,1,0,1,0,0|1,0,1]=4 18854 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [0,1,0,1,0,0|1,0,1]=4 18855 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|0,0,2]=4 18856 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|0,0,2]=4 18857 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [0,1,0,1,0,0|2,0,0]=4 18858 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [0,1,0,1,0,0|2,0,0]=4 18859 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [0,1,0,1,0,0|2,0,0]=4 18860 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [0,1,0,1,0,0|2,0,0]=4 18861 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|0,0,2]=4 18862 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|0,0,2]=4 18863 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [0,1,0,1,0,0|1,0,1]=4 18864 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [0,1,0,1,0,0|1,0,1]=4 18865 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [0,1,0,1,0,0|1,0,1]=4 18866 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [0,1,0,1,0,0|1,0,1]=4 18867 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [0,1,0,1,0,0|1,0,1]=4 18868 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|0,0,2]=4 18869 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|0,0,2]=4 18870 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|0,0,2]=4 18871 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [0,1,0,1,0,0|2,0,0]=4 18872 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [0,1,0,1,0,0|2,0,0]=4 18873 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [0,1,0,1,0,0|2,0,0]=4 18874 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [0,1,0,1,0,0|2,0,0]=4 18875 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [0,1,0,1,0,0|1,0,1]=4 18876 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [0,1,0,1,0,0|1,0,1]=4 18877 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [0,1,0,1,0,0|1,0,1]=4 18878 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|0,0,2]=4 18879 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|0,0,2]=4 18880 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [0,1,0,1,0,0|2,0,0]=4 18881 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [0,1,0,1,0,0|2,0,0]=4 18882 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [0,1,0,1,0,0|1,0,1]=4 18883 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [0,1,0,1,0,0|1,0,1]=4 18884 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [0,1,0,1,0,0|1,0,1]=4 18885 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [0,1,0,1,0,0|1,0,1]=4 18886 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [0,1,0,1,0,0|1,0,1]=4 18887 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [0,1,0,1,0,0|2,0,0]=4 18888 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,1,0,1,0,0|2,0,0]=4 18889 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [0,1,0,1,0,0|1,0,1]=4 18890 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [0,1,0,1,0,0|1,0,1]=4 18891 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [0,1,0,1,0,0|1,0,1]=4 18892 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [0,1,0,1,0,0|1,0,1]=4 18893 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [0,1,0,1,0,0|1,0,1]=4 18894 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [0,1,0,1,0,0|1,0,1]=4 18895 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [0,1,0,1,0,0|1,0,1]=4 18896 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [0,1,0,1,0,0|1,0,1]=4 18897 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [0,1,0,1,0,0|1,0,1]=4 18898 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [0,1,0,1,0,0|1,0,1]=4 18899 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [0,1,0,1,0,0|2,0,0]=4 18900 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [0,1,0,1,0,0|2,0,0]=4 18901 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [0,1,0,1,0,0|2,0,0]=4 18902 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [0,1,0,1,0,0|2,0,0]=4 18903 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [0,1,0,1,0,0|2,0,0]=4 18904 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [0,1,0,1,0,0|2,0,0]=4 18905 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [0,1,0,1,0,0|2,0,0]=4 18906 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [0,1,0,1,0,0|2,0,0]=4 18907 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,1,0,1,0,0|2,0,0]=4 18908 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,1,0,1,0,0|2,0,0]=4 18909 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,1,0,1,0,0|2,0,0]=4 18910 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [0,1,0,1,0,0|2,0,0]=4 18911 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [0,1,0,1,0,0|2,0,0]=4 18912 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [0,1,0,1,0,0|2,0,0]=4 18913 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [0,1,0,1,0,0|2,0,0]=4 18914 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [0,1,0,1,0,0|2,0,0]=4 18915 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [0,1,0,1,0,0|2,0,0]=4 18916 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,1,0,1,0,0|2,0,0]=4 18917 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,1,0,1,0,0|2,0,0]=4 18918 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,1,0,1,0,0|2,0,0]=4 18919 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [0,1,0,1,0,0|2,0,0]=4 18920 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [0,1,0,1,0,0|2,0,0]=4 18921 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [0,1,0,1,0,0|2,0,0]=4 18922 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [0,1,0,1,0,0|2,0,0]=4 18923 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [0,1,0,1,0,0|2,0,0]=4 18924 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [0,1,0,1,0,0|2,0,0]=4 18925 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [0,1,0,1,0,0|2,0,0]=4 18926 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [0,1,0,1,0,0|2,0,0]=4 18927 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [0,1,0,1,0,0|2,0,0]=4 18928 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [0,1,0,1,0,0|2,0,0]=4 18929 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [0,1,0,1,0,0|2,0,0]=4 18930 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [0,1,0,1,0,0|2,0,0]=4 18931 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [0,1,0,1,0,0|2,0,0]=4 18932 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [0,1,0,1,0,0|2,0,0]=4 18933 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [0,1,0,1,0,0|2,0,0]=4 18934 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [0,1,0,1,0,0|2,0,0]=4 18935 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [0,1,0,1,0,0|2,0,0]=4 18936 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [0,1,0,1,0,0|2,0,0]=4 18937 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [0,1,0,1,0,0|2,0,0]=4 18938 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [0,1,0,1,0,0|2,0,0]=4 18939 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [0,1,0,1,0,0|2,0,0]=4 18940 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [0,1,0,1,0,0|2,0,0]=4 18941 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [0,1,0,1,0,0|2,0,0]=4 18942 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [0,1,0,1,0,0|2,0,0]=4 18943 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [0,1,0,1,0,0|1,0,1]=4 18944 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [0,1,0,1,0,0|1,0,1]=4 18945 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [0,1,0,1,0,0|1,0,1]=4 18946 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [0,1,0,1,0,0|1,0,1]=4 18947 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [0,1,0,1,0,0|1,0,1]=4 18948 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [0,1,0,1,0,0|1,0,1]=4 18949 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [0,1,0,1,0,0|1,0,1]=4 18950 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [0,1,0,1,0,0|1,0,1]=4 18951 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [0,1,0,1,0,0|1,0,1]=4 18952 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [0,1,0,1,0,0|1,0,1]=4 18953 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [0,1,0,1,0,0|1,0,1]=4 18954 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [0,1,0,1,0,0|1,0,1]=4 18955 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [0,1,0,1,0,0|1,0,1]=4 18956 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [0,1,0,1,0,0|1,0,1]=4 18957 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [0,1,0,1,0,0|1,0,1]=4 18958 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [0,1,0,1,0,0|1,0,1]=4 18959 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [0,1,0,1,0,0|1,0,1]=4 18960 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [0,1,0,1,0,0|1,0,1]=4 18961 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [0,1,0,1,0,0|1,0,1]=4 18962 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [0,1,0,1,0,0|1,0,1]=4 18963 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [0,1,0,1,0,0|1,0,1]=4 18964 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [0,1,0,1,0,0|1,0,1]=4 18965 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [0,1,0,1,0,0|1,0,1]=4 18966 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [0,1,0,1,0,0|1,0,1]=4 18967 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [0,1,0,1,0,0|1,0,1]=4 18968 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [0,1,0,1,0,0|1,0,1]=4 18969 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [0,1,0,1,0,0|1,0,1]=4 18970 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [0,1,0,1,0,0|1,0,1]=4 18971 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [0,1,0,1,0,0|1,0,1]=4 18972 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [0,1,0,1,0,0|1,0,1]=4 18973 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [0,1,0,1,0,0|1,0,1]=4 18974 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [0,1,0,1,0,0|1,0,1]=4 18975 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [0,1,0,1,0,0|1,0,1]=4 18976 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [0,1,0,1,0,0|1,0,1]=4 18977 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [0,1,0,1,0,0|1,0,1]=4 18978 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [0,1,0,1,0,0|1,0,1]=4 18979 B11R1.4 N#CCCCCN1CCCC1 2230a_100000188435_100000211819 [0,1,0,1,0,0|1,0,1]=4 18980 B11R1.4 N#CCCCCN1CCCC1 269982a_100000188435_100011219923 [0,1,0,1,0,0|1,0,1]=4 18981 B11R1.4 N#CCCCNC1CCCC1 2230a_100000211070_100000687738 [0,1,0,1,0,0|1,0,1]=4 18982 B11R1.4 N#CCCCOC1CCCC1 7a_100000210269_100000687738 [0,1,0,1,0,0|1,0,1]=4 18983 B11R1.4 N#CCCCSC1CCCC1 62a_100000687738_100000179811 [0,1,0,1,0,0|1,0,1]=4 18984 B11R1.4 N#CCCCSC1CCCC1 62a_100011217020_100000687738 [0,1,0,1,0,0|1,0,1]=4 18985 B11R1.4 N#CCCNCC1CCCC1 2230a_100000737975_100011215226 [0,1,0,1,0,0|1,0,1]=4 18986 B11R1.4 N#CCCOCC1CCCC1 7a_100000742336_100000184422 [0,1,0,1,0,0|1,0,1]=4 18987 B11R1.4 N#CCCSCC1CCCC1 62a_100000740388_100011215226 [0,1,0,1,0,0|1,0,1]=4 18988 B11R1.4 N#CCCSCC1CCCC1 62a_100011215226_100000740388 [0,1,0,1,0,0|1,0,1]=4 18989 B11R1.4 N#CCNCCC1CCCC1 2230a_100000739158_100011215382 [0,1,0,1,0,0|1,0,1]=4 18990 B11R1.4 N#CCOCCC1CCCC1 7a_100000749090_100011215382 [0,1,0,1,0,0|1,0,1]=4 18991 B11R1.4 N#CCSCCC1CCCC1 62a_100000760354_100011215382 [0,1,0,1,0,0|1,0,1]=4 18992 B11R1.4 N#CCSCCC1CCCC1 62a_100011215382_100000760354 [0,1,0,1,0,0|1,0,1]=4 18993 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|1,0,1]=4 18994 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [0,1,0,1,0,0|1,0,1]=4 18995 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [0,1,0,1,0,0|1,0,1]=4 18996 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,1,0,1,0,0|2,0,0]=4 18997 B11R1.4 O=CCCCCN1CC=CC1 269982a_100015195280_100000139335 [0,1,0,1,0,0|0,0,2]=4 18998 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,1,0,1,0,0|0,0,0]=2 18999 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,1,0,1,0,0|0,0,0]=2 19000 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [0,1,0,1,0,0|1,0,0]=3 19001 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [0,1,0,1,0,0|1,0,0]=3 19002 B11R1.4 O=CCCCNC1CC=CC1 2230a_100015188752_200011292268 [0,1,0,1,0,0|0,0,2]=4 19003 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,1,0,1,0,0|0,0,0]=2 19004 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [0,1,0,1,0,0|1,0,0]=3 19005 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [0,1,0,1,0,0|1,0,0]=3 19006 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,1,0,1,0,0|0,0,0]=2 19007 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [0,1,0,1,0,0|1,0,0]=3 19008 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,1,0,1,0,0|0,0,0]=2 19009 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,1,0,1,0,0|0,0,0]=2 19010 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [0,1,0,1,0,0|1,0,0]=3 19011 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [0,1,0,1,0,0|0,0,0]=2 19012 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [0,1,0,1,0,0|0,0,0]=2 19013 B11R1.4 O=CCNCCC1OCCO1 2230a_100000034215_200015260668 [0,1,0,1,0,0|2,0,0]=4 19014 B11R1.4 O=CCNCCC1OCCO1 34a_100000034215_200009817547 [0,1,0,1,0,0|2,0,0]=4 19015 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [0,1,0,1,0,0|0,0,0]=2 19016 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [0,1,0,1,0,0|0,0,0]=2 19017 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [0,1,0,1,0,0|1,0,0]=3 19018 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [0,1,0,1,0,0|1,0,0]=3 19019 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [0,1,0,1,0,0|0,0,0]=2 19020 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [0,1,0,1,0,0|0,0,0]=2 19021 B11R1.4 O=CCSCCC1OCCO1 62a_200015260668_100000740749 [0,1,0,1,0,0|2,0,0]=4 19022 B11R1.4 O=CCSCCN1CCCC1 62a_100000700749_200015260668 [0,1,0,1,0,0|1,0,0]=3 19023 B11R1.4 O=CCSCCN1CCCC1 62a_200015260668_100000004467 [0,1,0,1,0,0|1,0,0]=3 19024 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,1,0,1,0,0|0,0,2]=4 19025 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,1,0,1,0,0|0,0,2]=4 19026 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,1,0,1,0,0|0,0,2]=4 19027 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,1,0,1,0,0|0,0,2]=4 19028 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,1,0,1,0,0|0,0,2]=4 19029 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,1,0,1,0,0|0,0,2]=4 19030 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|0,0,2]=4 19031 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,1,0,1,0,0|0,0,2]=4 19032 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,1,0,1,0,0|0,0,2]=4 19033 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,1,0,1,0,0|0,0,2]=4 19034 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,1,0,1,0,0|0,0,2]=4 19035 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,1,0,1,0,0|0,0,2]=4 19036 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,1,0,1,0,0|0,0,2]=4 19037 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,1,0,1,0,0|0,0,2]=4 19038 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,1,0,1,0,0|0,0,2]=4 19039 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,1,0,1,0,0|0,0,2]=4 19040 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,1,0,1,0,0|0,0,2]=4 19041 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,1,0,1,0,0|0,0,2]=4 19042 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 19043 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,1,0,1,0,0|0,0,2]=4 19044 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 19045 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,1,0,1,0,0|0,0,2]=4 19046 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,1,0,1,0,0|0,0,2]=4 19047 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,1,0,1,0,0|0,0,2]=4 19048 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,1,0,1,0,0|0,0,2]=4 19049 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,1,0,1,0,0|0,0,2]=4 19050 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [0,1,0,1,0,0|2,0,0]=4 19051 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,1,0,1,0,0|1,0,1]=4 19052 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,1,0,1,0,0|1,0,1]=4 19053 B11R1.16 C=CCN(C)C1CCCCC1 2230a_100000207522_100000210623 [0,1,0,1,0,0|2,0,0]=4 19054 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000207522_100000210623 [0,1,0,1,0,0|2,0,0]=4 19055 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000225617_100000210327 [0,1,0,1,0,0|2,0,0]=4 19056 B11R1.16 C=CCN(C)C1CCCCC1 270004a_100000225617_100000210434 [0,1,0,1,0,0|2,0,0]=4 19057 B11R1.16 C=CCN(C)C1CCCCC1 34a_100000207522_100015514636 [0,1,0,1,0,0|2,0,0]=4 19058 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,1]=4 19059 B11R1.16 CCCN(C)C1C=CCCC1 2230a_100000747261_100000751183 [0,1,0,1,0,0|2,0,0]=4 19060 B11R1.16 CCCN(C)C1C=CCCC1 269982a_100000747261_100000751183 [0,1,0,1,0,0|2,0,0]=4 19061 B11R1.16 CN(CC=O)C1CCCCC1 2230a_100000207522_200015260668 [0,1,0,1,0,0|1,0,0]=3 19062 B11R1.16 CN(CC=O)C1CCCCC1 269982a_100000207522_200015260668 [0,1,0,1,0,0|1,0,0]=3 19063 B11R1.16 CN(CC=O)C1CCCCC1 34a_100000207522_200009817547 [0,1,0,1,0,0|1,0,0]=3 19064 B11R1.16 CN(CC=O)C1CCOCC1 2230a_100020587155_200015260668 [0,1,0,1,0,0|2,0,0]=4 19065 B11R1.16 CN(CC=O)C1CCOCC1 269982a_100020587155_200015260668 [0,1,0,1,0,0|2,0,0]=4 19066 B11R1.16 CN(CC=O)C1CCOCC1 34a_100020587155_200009817547 [0,1,0,1,0,0|2,0,0]=4 19067 B11R1.16 CN(CC=O)C1CCSCC1 2230a_100015184757_200015260668 [0,1,0,1,0,0|2,0,0]=4 19068 B11R1.16 CN(CC=O)C1CCSCC1 269982a_100015184757_200015260668 [0,1,0,1,0,0|2,0,0]=4 19069 B11R1.16 CN(CC=O)C1CCSCC1 34a_100015184757_200009817547 [0,1,0,1,0,0|2,0,0]=4 19070 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [0,1,0,1,0,0|2,0,0]=4 19071 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [0,1,0,1,0,0|2,0,0]=4 19072 B11R1.24 C=CCCN1CCCC(C1)F 2230a_100000697950_100000754431 [0,1,0,1,0,0|2,0,0]=4 19073 B11R1.24 C=CCCN1CCCC(C1)F 269982a_100000697950_100000754431 [0,1,0,1,0,0|2,0,0]=4 19074 B11R1.24 C=CCCN1CCCC(C1)F 34a_100000697950_100000754431 [0,1,0,1,0,0|2,0,0]=4 19075 B11R1.24 C=CCCN1CCCC(C1)O 2230a_100000211013_100000754431 [0,1,0,1,0,0|2,0,0]=4 19076 B11R1.24 C=CCCN1CCCC(C1)O 269982a_100000211013_100000754431 [0,1,0,1,0,0|2,0,0]=4 19077 B11R1.24 C=CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000754431 [0,1,0,1,0,0|2,0,0]=4 19078 B11R1.24 C=CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000754431 [0,1,0,1,0,0|2,0,0]=4 19079 B11R1.24 C=CCCN1CCC[C@@H](C1)C 34a_100000717927_100000754431 [0,1,0,1,0,0|2,0,0]=4 19080 B11R1.24 C=CCNC1CCCC(C1)C 2230a_100011194320_100000210623 [0,1,0,1,0,0|2,0,0]=4 19081 B11R1.24 C=CCNC1CCCC(C1)C 270004a_100020586998_100000183594 [0,1,0,1,0,0|2,0,0]=4 19082 B11R1.24 C=CCNC1CCCC(C1)C 34a_100011194320_100015514636 [0,1,0,1,0,0|2,0,0]=4 19083 B11R1.24 C=CCNC1CCCC(C1)O 2230a_100015190357_100000210623 [0,1,0,1,0,0|2,0,0]=4 19084 B11R1.24 C=CCNC1CCCC(C1)O 270004a_100020586998_100012613340 [0,1,0,1,0,0|2,0,0]=4 19085 B11R1.24 C=CCOC1CCCC(C1)C 34a_100000211399_100015514636 [0,1,0,1,0,0|2,0,0]=4 19086 B11R1.24 CC1=CC(CCC1)OCC=O 34a_100011218613_200009817547 [0,1,0,1,0,0|1,0,1]=4 19087 B11R1.24 CC1CC(CCO1)OCC=O 34a_100011986385_200009817547 [0,1,0,1,0,0|2,0,0]=4 19088 B11R1.24 CC1CC(CCO1)OCC=O 7a_100011986385_200015260668 [0,1,0,1,0,0|2,0,0]=4 19089 B11R1.24 CC1CCCC(C1)NCC=O 2230a_100011194320_200015260668 [0,1,0,1,0,0|1,0,0]=3 19090 B11R1.24 CC1CCCC(C1)NCC=O 34a_100011194320_200009817547 [0,1,0,1,0,0|1,0,0]=3 19091 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [0,1,0,1,0,0|1,0,0]=3 19092 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,1,0,0|2,0,0]=4 19093 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|2,0,0]=4 19094 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,1,0,0|2,0,0]=4 19095 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,1,0,0|2,0,0]=4 19096 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,1,0,1,0,0|2,0,0]=4 19097 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|1,0,0]=3 19098 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,1,0,0|2,0,0]=4 19099 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,1,0,0|1,0,0]=3 19100 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,1,0,0|2,0,0]=4 19101 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,1,0,1,0,0|2,0,0]=4 19102 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,1,0,0|2,0,0]=4 19103 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,1,0,0|2,0,0]=4 19104 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|2,0,0]=4 19105 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,1,0,1,0,0|2,0,0]=4 19106 B11R1.24 O=CCNC1CCCC(C1)O 2230a_100015190357_200015260668 [0,1,0,1,0,0|1,0,0]=3 19107 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,1,0,1,0,0|1,0,1]=4 19108 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210193_100000740388 [0,1,0,1,0,0|1,0,1]=4 19109 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210891_100000210623 [0,1,0,1,0,0|1,0,1]=4 19110 B11R1.30 C=CCN(C)CC1CCCC1 2230a_100000225617_100000740388 [0,1,0,1,0,0|2,0,0]=4 19111 B11R1.30 C=CCN(C)CC1CCCC1 269982a_100000225617_100000740388 [0,1,0,1,0,0|2,0,0]=4 19112 B11R1.30 C=CC[C@@H](C)OC1CCCC1 34a_100000731007_100000179811 [0,1,0,1,0,0|2,0,0]=4 19113 B11R1.30 C=CC[C@@H](C)OC1CCCC1 7a_100000731007_100000179811 [0,1,0,1,0,0|2,0,0]=4 19114 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,1]=4 19115 B11R1.30 CCNC(C)CC1C=CCC1 270004a_100015525214_100000116859 [0,1,0,1,0,0|2,0,0]=4 19116 B11R1.30 CN(CC=O)CC1CCCO1 2230a_100102946541_200015260668 [0,1,0,1,0,0|2,0,0]=4 19117 B11R1.30 CN(CC=O)CC1CCCO1 269982a_100102946541_200015260668 [0,1,0,1,0,0|2,0,0]=4 19118 B11R1.30 CN(CC=O)CC1CCCO1 34a_100102946541_200009817547 [0,1,0,1,0,0|2,0,0]=4 19119 B11R1.30 CN(CC=O)CC1CCOC1 2230a_100000684583_200015260668 [0,1,0,1,0,0|2,0,0]=4 19120 B11R1.30 CN(CC=O)CC1CCOC1 269982a_100000684583_200015260668 [0,1,0,1,0,0|2,0,0]=4 19121 B11R1.30 CN(CC=O)CC1CCOC1 34a_100000684583_200009817547 [0,1,0,1,0,0|2,0,0]=4 19122 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [0,1,0,1,0,0|2,0,0]=4 19123 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [0,1,0,1,0,0|2,0,0]=4 19124 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [0,1,0,1,0,0|2,0,0]=4 19125 B11R1.78 C=C1CC(C1)NCCCC=O 2230a_100132301982_200011292268 [0,1,0,1,0,0|1,0,1]=4 19126 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [0,1,0,1,0,0|2,0,0]=4 19127 B11R1.78 C=CCCCCN1CC(C1)C 2230a_100000702820_100011215482 [0,1,0,1,0,0|2,0,0]=4 19128 B11R1.78 C=CCCCCN1CC(C1)C 269982a_100000702820_100011215482 [0,1,0,1,0,0|2,0,0]=4 19129 B11R1.78 C=CCCCCN1CC(C1)C 34a_100000702820_100011215482 [0,1,0,1,0,0|2,0,0]=4 19130 B11R1.78 C=CCCCCN1CC(C1)F 2230a_100000690557_100011215482 [0,1,0,1,0,0|2,0,0]=4 19131 B11R1.78 C=CCCCCN1CC(C1)F 269982a_100000690557_100011215482 [0,1,0,1,0,0|2,0,0]=4 19132 B11R1.78 C=CCCCCN1CC(C1)F 34a_100000690557_100011215482 [0,1,0,1,0,0|2,0,0]=4 19133 B11R1.78 C=CCCCCN1CC(C1)O 269982a_100000749847_100011215482 [0,1,0,1,0,0|2,0,0]=4 19134 B11R1.78 C=CCCCNC1CC(C1)F 2230a_100016993743_100011713584 [0,1,0,1,0,0|2,0,0]=4 19135 B11R1.78 C=CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011713584 [0,1,0,1,0,0|2,0,0]=4 19136 B11R1.78 C=CCCNCC1CC(C1)O 2230a_100016992100_100000754431 [0,1,0,1,0,0|2,0,0]=4 19137 B11R1.78 C=CCCOCC1CC(C1)Cl 34a_100009874164_100000754431 [0,1,0,1,0,0|2,0,0]=4 19138 B11R1.78 CC1CN(C1)CCCCC=O 2230a_100000702820_100000139335 [0,1,0,1,0,0|1,0,0]=3 19139 B11R1.78 CC1CN(C1)CCCCC=O 269982a_100000702820_100000139335 [0,1,0,1,0,0|1,0,0]=3 19140 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,1,0,1,0,0|1,0,0]=3 19141 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,1,0,1,0,0|1,0,0]=3 19142 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,1,0,1,0,0|1,0,0]=3 19143 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,1,0,1,0,0|1,0,0]=3 19144 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,1,0,1,0,0|1,0,0]=3 19145 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,1,0,1,0,0|1,0,0]=3 19146 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,1,0,1,0,0|1,0,0]=3 19147 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [0,1,0,1,0,0|2,0,0]=4 19148 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [0,1,0,1,0,0|2,0,0]=4 19149 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [0,1,0,1,0,0|2,0,0]=4 19150 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [0,1,0,1,0,0|2,0,0]=4 19151 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [0,1,0,1,0,0|2,0,0]=4 19152 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [0,1,0,1,0,0|2,0,0]=4 19153 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [0,1,0,1,0,0|2,0,0]=4 19154 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [0,1,0,1,0,0|2,0,0]=4 19155 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [0,1,0,1,0,0|2,0,0]=4 19156 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [0,1,0,1,0,0|2,0,0]=4 19157 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [0,1,0,1,0,0|2,0,0]=4 19158 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [0,1,0,1,0,0|2,0,0]=4 19159 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [0,1,0,1,0,0|2,0,0]=4 19160 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [0,1,0,1,0,0|2,0,0]=4 19161 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [0,1,0,1,0,0|2,0,0]=4 19162 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [0,1,0,1,0,0|2,0,0]=4 19163 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,1,0,1,0,0|2,0,0]=4 19164 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [0,1,0,1,0,0|2,0,0]=4 19165 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [0,1,0,1,0,0|2,0,0]=4 19166 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [0,1,0,1,0,0|2,0,0]=4 19167 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [0,1,0,1,0,0|2,0,0]=4 19168 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [0,1,0,1,0,0|2,0,0]=4 19169 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [0,1,0,1,0,0|2,0,0]=4 19170 B11R1.78 O=CCCCCN1CC(C1)F 2230a_100000690557_100000139335 [0,1,0,1,0,0|1,0,0]=3 19171 B11R1.78 O=CCCCCN1CC(C1)F 269982a_100000690557_100000139335 [0,1,0,1,0,0|1,0,0]=3 19172 B11R1.78 O=CCCCCN1CC(C1)O 269982a_100000749847_100000139335 [0,1,0,1,0,0|1,0,0]=3 19173 B11R1.78 O=CCCCNC1CC(C1)F 2230a_100016993743_200011292268 [0,1,0,1,0,0|1,0,0]=3 19174 B11R1.78 O=CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200011292268 [0,1,0,1,0,0|1,0,0]=3 19175 B11R1.78 O=CCCCSC1CC(=O)C1 62a_100009894365_200011292268 [0,1,0,1,0,0|1,0,1]=4 19176 B11R1.81 C[C@H]1CN(CCN1CC=O)C 2230a_100012002466_200015260668 [0,1,0,1,0,0|2,0,0]=4 19177 B11R1.81 C[C@H]1CN(CCN1CC=O)C 269982a_100012002466_200015260668 [0,1,0,1,0,0|2,0,0]=4 19178 B11R1.110 C=CCN1CCCCC(C1)O 2230a_100025706797_100000210623 [0,1,0,1,0,0|2,0,0]=4 19179 B11R1.110 C=CCN1CCCCC(C1)O 269982a_100025706797_100000210623 [0,1,0,1,0,0|2,0,0]=4 19180 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,1,0,1,0,0|2,0,0]=4 19181 B11R1.110 O=CCN1CCCCC(C1)O 2230a_100025706797_200015260668 [0,1,0,1,0,0|1,0,0]=3 19182 B11R1.110 O=CCN1CCCCC(C1)O 269982a_100025706797_200015260668 [0,1,0,1,0,0|1,0,0]=3 19183 B11R1.110 O=CCN1CCOC[C@@H](C1)O 2230a_100016073750_200015260668 [0,1,0,1,0,0|2,0,0]=4 19184 B11R1.110 O=CCN1CCOC[C@@H](C1)O 269982a_100016073750_200015260668 [0,1,0,1,0,0|2,0,0]=4 19185 B11R1.117 C#CCN1CCCCCCC1 2230a_100000211400_100000038162 [0,1,0,1,0,0|1,0,1]=4 19186 B11R1.117 C#CCN1CCCCCCC1 34a_100000211400_100000184674 [0,1,0,1,0,0|1,0,1]=4 19187 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [0,1,0,1,0,0|1,0,0]=3 19188 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [0,1,0,1,0,0|1,0,0]=3 19189 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [0,1,0,1,0,0|1,0,0]=3 19190 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,1,0,1,0,0|1,0,1]=4 19191 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,1,0,1,0,0|1,0,1]=4 19192 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,1,0,1,0,0|1,0,1]=4 19193 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,1,0,1,0,0|1,0,1]=4 19194 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,1,0,1,0,0|1,0,1]=4 19195 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,1,0,1,0,0|1,0,1]=4 19196 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,1,0,1,0,0|1,0,0]=3 19197 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,1,0,1,0,0|1,0,1]=4 19198 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,1,0,1,0,0|1,0,1]=4 19199 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|0,0,2]=4 19200 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|0,0,2]=4 19201 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 19202 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 19203 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 19204 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 19205 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 19206 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,1,0,1,0,0|1,0,1]=4 19207 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,1,0,1,0,0|1,0,1]=4 19208 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,1,0,1,0,0|1,0,1]=4 19209 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,1,0,1,0,0|1,0,1]=4 19210 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [0,1,0,1,0,0|2,0,0]=4 19211 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,1,0,1,0,0|1,0,1]=4 19212 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,1,0,1,0,0|1,0,1]=4 19213 B11R1.117 N#CCN1CCCCCCC1 2230a_100000211400_100011215382 [0,1,0,1,0,0|1,0,1]=4 19214 B11R1.117 N#CCN1CCCCCCC1 269982a_100000211400_100011214920 [0,1,0,1,0,0|1,0,1]=4 19215 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,1,0,1,0,0|0,0,0]=2 19216 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,1,0,1,0,0|0,0,0]=2 19217 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,1,0,1,0,0|0,0,0]=2 19218 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 19219 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 19220 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 19221 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|0,0,2]=4 19222 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|0,0,2]=4 19223 B11R1.127 CCO[C@H]1CCN(C1)CC=O 2230a_100011787710_200015260668 [0,1,0,1,0,0|2,0,0]=4 19224 B11R1.127 CCO[C@H]1CCN(C1)CC=O 269982a_100011787710_200015260668 [0,1,0,1,0,0|2,0,0]=4 19225 B11R1.127 CCO[C@H]1CCN(C1)CC=O 34a_100011787710_200009817547 [0,1,0,1,0,0|2,0,0]=4 19226 B11R1.127 COCC1CCN(C1)CC=O 2230a_100025706693_200015260668 [0,1,0,1,0,0|2,0,0]=4 19227 B11R1.127 COCC1CCN(C1)CC=O 269982a_100025706693_200015260668 [0,1,0,1,0,0|2,0,0]=4 19228 B11R1.127 COCC1CCN(C1)CC=O 34a_100025706693_200009817547 [0,1,0,1,0,0|2,0,0]=4 19229 B11R1.127 O=CCN1CCC(C1)CCO 2230a_100016987287_200015260668 [0,1,0,1,0,0|2,0,0]=4 19230 B11R1.127 O=CCN1CCC(C1)CCO 269982a_100016987287_200015260668 [0,1,0,1,0,0|2,0,0]=4 19231 B11R1.127 O=CCN1CCC(C1)CCO 34a_100016987287_200009817547 [0,1,0,1,0,0|2,0,0]=4 19232 B11R1.135 C=CCN1CCCC(CC1)C 2230a_100025706717_100000210623 [0,1,0,1,0,0|2,0,0]=4 19233 B11R1.135 C=CCN1CCCC(CC1)C 269982a_100025706717_100000210623 [0,1,0,1,0,0|2,0,0]=4 19234 B11R1.135 C=CCN1CCCC(CC1)C 34a_100025706717_100015514636 [0,1,0,1,0,0|2,0,0]=4 19235 B11R1.135 C=CCN1CCCC(CC1)O 2230a_100015186869_100000210623 [0,1,0,1,0,0|2,0,0]=4 19236 B11R1.135 C=CCN1CCCC(CC1)O 269982a_100015186869_100000210623 [0,1,0,1,0,0|2,0,0]=4 19237 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [0,1,0,1,0,0|1,0,0]=3 19238 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [0,1,0,1,0,0|1,0,0]=3 19239 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [0,1,0,1,0,0|1,0,0]=3 19240 B11R1.135 CN1CCCN(CC1)CC=O 2230a_100000211313_200015260668 [0,1,0,1,0,0|2,0,0]=4 19241 B11R1.135 CN1CCCN(CC1)CC=O 269982a_100000211313_200015260668 [0,1,0,1,0,0|2,0,0]=4 19242 B11R1.135 O=CCN1CCCC(CC1)O 2230a_100015186869_200015260668 [0,1,0,1,0,0|1,0,0]=3 19243 B11R1.135 O=CCN1CCCC(CC1)O 269982a_100015186869_200015260668 [0,1,0,1,0,0|1,0,0]=3 19244 B11R1.180 C#CCCCN1CCC[C@@H]1C 2230a_100020605311_100000731252 [0,1,0,1,0,0|1,0,1]=4 19245 B11R1.180 C#CCCCN1CCC[C@@H]1C 269982a_100020605311_100011215417 [0,1,0,1,0,0|1,0,1]=4 19246 B11R1.180 C#CCCCN1CCC[C@H]1C 2230a_100015189458_100000731252 [0,1,0,1,0,0|1,0,1]=4 19247 B11R1.180 C#CCCCN1CCC[C@H]1C 269982a_100015189458_100011215417 [0,1,0,1,0,0|1,0,1]=4 19248 B11R1.180 C#CCCCN1CCC[C@H]1C 34a_100015189458_100000695029 [0,1,0,1,0,0|1,0,1]=4 19249 B11R1.180 C#CCCNC1CCCC1=O 34a_100000755551_100000709159 [0,1,0,1,0,0|0,0,2]=4 19250 B11R1.180 C#CCCOC1CCCC1=O 34a_100011215631_100000709159 [0,1,0,1,0,0|0,0,2]=4 19251 B11R1.180 C#CCCOC1CCCC1=O 34a_200000719330_100000688953 [0,1,0,1,0,0|0,0,2]=4 19252 B11R1.180 C#CCCOC1CCCC1C 34a_100011216460_100000688953 [0,1,0,1,0,0|1,0,1]=4 19253 B11R1.180 C#CCCOC1CCCC1C 7a_100011216460_100000688953 [0,1,0,1,0,0|1,0,1]=4 19254 B11R1.180 C#CCCSC1CCCC1=O 62a_100000211823_100000688953 [0,1,0,1,0,0|0,0,2]=4 19255 B11R1.180 C#CCCSC1CCCC1=O 62a_100000688953_100000211823 [0,1,0,1,0,0|0,0,2]=4 19256 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [0,1,0,1,0,0|0,0,2]=4 19257 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [0,1,0,1,0,0|0,0,2]=4 19258 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [0,1,0,1,0,0|1,0,1]=4 19259 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [0,1,0,1,0,0|1,0,1]=4 19260 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [0,1,0,1,0,0|0,0,2]=4 19261 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [0,1,0,1,0,0|0,0,2]=4 19262 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [0,1,0,1,0,0|1,0,0]=3 19263 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [0,1,0,1,0,0|1,0,0]=3 19264 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [0,1,0,1,0,0|1,0,0]=3 19265 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [0,1,0,1,0,0|1,0,0]=3 19266 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [0,1,0,1,0,0|1,0,0]=3 19267 B11R1.180 C=CCCCN1CCSC1C 2230a_200011216479_100011713584 [0,1,0,1,0,0|2,0,0]=4 19268 B11R1.180 C=CCCCN1CCSC1C 269982a_200011216479_100000757094 [0,1,0,1,0,0|2,0,0]=4 19269 B11R1.180 C=CCCCN1CCSC1C 34a_200011216479_100000757094 [0,1,0,1,0,0|2,0,0]=4 19270 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [0,1,0,1,0,0|0,0,2]=4 19271 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [0,1,0,1,0,0|1,0,0]=3 19272 B11R1.180 C=CCCNC1CCOC1C 270004a_100015191253_100000691750 [0,1,0,1,0,0|2,0,0]=4 19273 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [0,1,0,1,0,0|0,0,2]=4 19274 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [0,1,0,1,0,0|0,0,2]=4 19275 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [0,1,0,1,0,0|1,0,0]=3 19276 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [0,1,0,1,0,0|1,0,0]=3 19277 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000754431 [0,1,0,1,0,0|2,0,0]=4 19278 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000754431 [0,1,0,1,0,0|2,0,0]=4 19279 B11R1.180 C=CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000754431 [0,1,0,1,0,0|2,0,0]=4 19280 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [0,1,0,1,0,0|0,0,2]=4 19281 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [0,1,0,1,0,0|0,0,2]=4 19282 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [0,1,0,1,0,0|2,0,0]=4 19283 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [0,1,0,1,0,0|2,0,0]=4 19284 B11R1.180 C=CCOCC1CCCN1C 34a_100000743107_100015514636 [0,1,0,1,0,0|2,0,0]=4 19285 B11R1.180 C=COCCN1CCC[C@@H]1C 2230a_100020605311_100000039644 [0,1,0,1,0,0|2,0,0]=4 19286 B11R1.180 C=COCCN1CCC[C@@H]1C 269982a_100020605311_100000039644 [0,1,0,1,0,0|2,0,0]=4 19287 B11R1.180 C=COCCN1CCC[C@H]1C 2230a_100015189458_100000039644 [0,1,0,1,0,0|2,0,0]=4 19288 B11R1.180 C=COCCN1CCC[C@H]1C 269982a_100015189458_100000039644 [0,1,0,1,0,0|2,0,0]=4 19289 B11R1.180 C=COCCN1CCC[C@H]1C 34a_100015189458_100000039644 [0,1,0,1,0,0|2,0,0]=4 19290 B11R1.180 CC#CCNC1CCCC1=O 2230a_100000685387_100000211823 [0,1,0,1,0,0|0,0,2]=4 19291 B11R1.180 CC#CCNC1CCCC1=O 34a_100000685387_100000709159 [0,1,0,1,0,0|0,0,2]=4 19292 B11R1.180 CC#CCOC1CCCC1=O 34a_100000761923_100000709159 [0,1,0,1,0,0|0,0,2]=4 19293 B11R1.180 CC#CCOC1CCCC1=O 34a_200000719330_100000748600 [0,1,0,1,0,0|0,0,2]=4 19294 B11R1.180 CC#CCSC1CCCC1=O 62a_100000211823_100000748600 [0,1,0,1,0,0|0,0,2]=4 19295 B11R1.180 CC#CCSC1CCCC1=O 62a_100000748600_100000211823 [0,1,0,1,0,0|0,0,2]=4 19296 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [0,1,0,1,0,0|1,0,1]=4 19297 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,1,0,1,0,0|0,0,2]=4 19298 B11R1.180 CC1CCCC1OCCC#N 7a_100011216460_100000184422 [0,1,0,1,0,0|1,0,1]=4 19299 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [0,1,0,1,0,0|1,0,1]=4 19300 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [0,1,0,1,0,0|1,0,1]=4 19301 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,1,0,1,0,0|0,0,2]=4 19302 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,1,0,1,0,0|0,0,2]=4 19303 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [0,1,0,1,0,0|1,0,0]=3 19304 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [0,1,0,1,0,0|1,0,0]=3 19305 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [0,1,0,1,0,0|0,0,2]=4 19306 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [0,1,0,1,0,0|1,0,1]=4 19307 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [0,1,0,1,0,0|1,0,1]=4 19308 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [0,1,0,1,0,0|0,0,2]=4 19309 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [0,1,0,1,0,0|0,0,2]=4 19310 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,1,0,1,0,0|1,0,1]=4 19311 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,1,0,1,0,0|1,0,1]=4 19312 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,1,0,1,0,0|1,0,1]=4 19313 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,1,0,1,0,0|1,0,1]=4 19314 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,1,0,1,0,0|1,0,1]=4 19315 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|0,0,0]=2 19316 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|0,0,0]=2 19317 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [0,1,0,1,0,0|1,0,1]=4 19318 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,1,0,1,0,0|1,0,0]=3 19319 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,1,0,1,0,0|1,0,0]=3 19320 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|1,0,0]=3 19321 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|1,0,0]=3 19322 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,1,0,1,0,0|2,0,0]=4 19323 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,1,0,1,0,0|2,0,0]=4 19324 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|0,0,0]=2 19325 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|0,0,0]=2 19326 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|0,0,0]=2 19327 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [0,1,0,1,0,0|1,0,1]=4 19328 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [0,1,0,1,0,0|1,0,1]=4 19329 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 19330 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 19331 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [0,1,0,1,0,0|1,0,1]=4 19332 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [0,1,0,1,0,0|1,0,1]=4 19333 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|1,0,0]=3 19334 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|0,0,0]=2 19335 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|0,0,0]=2 19336 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|1,0,0]=3 19337 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|1,0,0]=3 19338 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,1,0,1,0,0|0,0,2]=4 19339 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,1,0,1,0,0|0,0,2]=4 19340 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,1,0,1,0,0|0,0,2]=4 19341 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [0,1,0,1,0,0|2,0,0]=4 19342 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|1,0,0]=3 19343 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,1,0,1,0,0|1,0,0]=3 19344 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,1,0,1,0,0|1,0,0]=3 19345 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,1,0,1,0,0|2,0,0]=4 19346 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,1,0,1,0,0|1,0,0]=3 19347 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,1,0,1,0,0|1,0,0]=3 19348 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,1,0,1,0,0|2,0,0]=4 19349 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,1,0,1,0,0|2,0,0]=4 19350 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [0,1,0,1,0,0|2,0,0]=4 19351 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [0,1,0,1,0,0|2,0,0]=4 19352 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [0,1,0,1,0,0|2,0,0]=4 19353 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,1,0,1,0,0|1,0,0]=3 19354 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,1,0,1,0,0|1,0,0]=3 19355 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,1,0,1,0,0|1,0,0]=3 19356 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,1,0,1,0,0|2,0,0]=4 19357 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,1,0,1,0,0|1,0,0]=3 19358 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,1,0,1,0,0|1,0,0]=3 19359 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,1,0,1,0,0|2,0,0]=4 19360 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,1,0,1,0,0|2,0,0]=4 19361 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [0,1,0,1,0,0|2,0,0]=4 19362 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [0,1,0,1,0,0|2,0,0]=4 19363 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,1,0,1,0,0|1,0,0]=3 19364 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,1,0,1,0,0|1,0,0]=3 19365 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,1,0,1,0,0|2,0,0]=4 19366 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,1,0,1,0,0|2,0,0]=4 19367 B11R1.180 CN1CCCC1COCC=O 34a_100000743107_200009817547 [0,1,0,1,0,0|1,0,0]=3 19368 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,1,0,1,0,0|1,0,0]=3 19369 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,1,0,1,0,0|1,0,0]=3 19370 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,1,0,1,0,0|1,0,0]=3 19371 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,1,0,1,0,0|1,0,0]=3 19372 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [0,1,0,1,0,0|2,0,0]=4 19373 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [0,1,0,1,0,0|2,0,0]=4 19374 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [0,1,0,1,0,0|2,0,0]=4 19375 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [0,1,0,1,0,0|2,0,0]=4 19376 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [0,1,0,1,0,0|2,0,0]=4 19377 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,1,0,1,0,0|1,0,0]=3 19378 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [0,1,0,1,0,0|2,0,0]=4 19379 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,1,0,1,0,0|2,0,0]=4 19380 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,1,0,1,0,0|2,0,0]=4 19381 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|2,0,0]=4 19382 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|1,0,0]=3 19383 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|1,0,0]=3 19384 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,1,0,1,0,0|2,0,0]=4 19385 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,1,0,1,0,0|2,0,0]=4 19386 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|2,0,0]=4 19387 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,1,0,1,0,0|2,0,0]=4 19388 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,1,0,1,0,0|1,0,0]=3 19389 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,1,0,1,0,0|1,0,0]=3 19390 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|2,0,0]=4 19391 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|2,0,0]=4 19392 B11R1.180 COCSCN1CCCC1=O 62a_100000026320_100000766300 [0,1,0,1,0,0|2,0,0]=4 19393 B11R1.180 COCSCN1CCCC1=O 62a_100000766300_100000026320 [0,1,0,1,0,0|2,0,0]=4 19394 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,1,0,1,0,0|1,0,0]=3 19395 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [0,1,0,1,0,0|2,0,0]=4 19396 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,1,0,1,0,0|2,0,0]=4 19397 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,1,0,1,0,0|2,0,0]=4 19398 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|2,0,0]=4 19399 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|1,0,0]=3 19400 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|1,0,0]=3 19401 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|1,0,0]=3 19402 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [0,1,0,1,0,0|2,0,0]=4 19403 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [0,1,0,1,0,0|2,0,0]=4 19404 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 19405 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 19406 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,1,0,1,0,0|2,0,0]=4 19407 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,1,0,1,0,0|1,0,0]=3 19408 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,1,0,1,0,0|1,0,0]=3 19409 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|2,0,0]=4 19410 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|2,0,0]=4 19411 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,1,0,1,0,0|2,0,0]=4 19412 B11R1.180 CSCSCN1CCCC1=O 62a_100000026320_100011218213 [0,1,0,1,0,0|2,0,0]=4 19413 B11R1.180 CSCSCN1CCCC1=O 62a_100011218213_100000026320 [0,1,0,1,0,0|2,0,0]=4 19414 B11R1.180 C[C@@H]1CCCN1CCCC#N 2230a_100015189458_100000687738 [0,1,0,1,0,0|1,0,1]=4 19415 B11R1.180 C[C@@H]1CCCN1CCCC#N 269982a_100015189458_100000687738 [0,1,0,1,0,0|1,0,1]=4 19416 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,1,0,1,0,0|0,0,0]=2 19417 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,1,0,1,0,0|0,0,0]=2 19418 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [0,1,0,1,0,0|1,0,1]=4 19419 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [0,1,0,1,0,0|1,0,1]=4 19420 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [0,1,0,1,0,0|1,0,1]=4 19421 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,1,0,1,0,0|0,0,2]=4 19422 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,1,0,1,0,0|0,0,2]=4 19423 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,1,0,1,0,0|0,0,2]=4 19424 B11R1.180 C[C@H]1CCCN1CCCC#N 2230a_100020605311_100000687738 [0,1,0,1,0,0|1,0,1]=4 19425 B11R1.180 C[C@H]1CCCN1CCCC#N 269982a_100020605311_100000687738 [0,1,0,1,0,0|1,0,1]=4 19426 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,1,0,1,0,0|0,0,0]=2 19427 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,1,0,1,0,0|0,0,0]=2 19428 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [0,1,0,1,0,0|1,0,1]=4 19429 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [0,1,0,1,0,0|1,0,1]=4 19430 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,1,0,1,0,0|0,0,2]=4 19431 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,1,0,1,0,0|0,0,2]=4 19432 B11R1.180 N#CCCSC1CCCC1=O 62a_100000211823_100011215226 [0,1,0,1,0,0|1,0,1]=4 19433 B11R1.180 N#CCCSC1CCCC1=O 62a_100011215226_100000211823 [0,1,0,1,0,0|1,0,1]=4 19434 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|1,0,0]=3 19435 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|2,0,0]=4 19436 B11R1.180 NOCCOC1CCCC1=O 34a_100000700252_100000709159 [0,1,0,1,0,0|2,0,0]=4 19437 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,1,0,1,0,0|1,0,0]=3 19438 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,1,0,1,0,0|1,0,0]=3 19439 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|1,0,0]=3 19440 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|1,0,0]=3 19441 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|1,0,0]=3 19442 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|1,0,0]=3 19443 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|1,0,0]=3 19444 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,1,0,1,0,0|1,0,0]=3 19445 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,1,0,1,0,0|1,0,0]=3 19446 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|1,0,0]=3 19447 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|1,0,0]=3 19448 B11R1.180 O=C1CCCN1CCOCF 34a_100000211209_100015361967 [0,1,0,1,0,0|2,0,0]=4 19449 B11R1.180 O=C1CCCN1CCOCF 7a_100000211209_100015361967 [0,1,0,1,0,0|2,0,0]=4 19450 B11R1.180 O=C1CCCN1CCSCF 62a_100000739059_100015361967 [0,1,0,1,0,0|2,0,0]=4 19451 B11R1.180 O=C1CCCN1CCSCF 62a_100015361967_100000739059 [0,1,0,1,0,0|2,0,0]=4 19452 B11R1.180 O=C1CCCN1CSCCF 62a_100000026320_100011217306 [0,1,0,1,0,0|2,0,0]=4 19453 B11R1.180 O=C1CCCN1CSCCF 62a_100011217306_100000026320 [0,1,0,1,0,0|2,0,0]=4 19454 B11R1.180 O=C1CCCN1CSCCO 62a_100000026320_100000211926 [0,1,0,1,0,0|2,0,0]=4 19455 B11R1.180 O=C1CCCN1CSCCO 62a_100000211926_100000026320 [0,1,0,1,0,0|2,0,0]=4 19456 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,1,0,1,0,0|2,0,0]=4 19457 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,1,0,1,0,0|2,0,0]=4 19458 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,1,0,1,0,0|2,0,0]=4 19459 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,1,0,1,0,0|2,0,0]=4 19460 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 19461 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 19462 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,1,0,1,0,0|2,0,0]=4 19463 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,1,0,1,0,0|2,0,0]=4 19464 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 19465 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 19466 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|2,0,0]=4 19467 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|2,0,0]=4 19468 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|2,0,0]=4 19469 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|2,0,0]=4 19470 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|2,0,0]=4 19471 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|2,0,0]=4 19472 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|2,0,0]=4 19473 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,1,0,1,0,0|1,0,0]=3 19474 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,1,0,1,0,0|1,0,0]=3 19475 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,1,0,1,0,0|1,0,0]=3 19476 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,1,0,1,0,0|1,0,0]=3 19477 B11R1.189 CCC1CN(CCO1)CC=O 2230a_100000736320_200015260668 [0,1,0,1,0,0|2,0,0]=4 19478 B11R1.189 CCC1CN(CCO1)CC=O 269982a_100000736320_200015260668 [0,1,0,1,0,0|2,0,0]=4 19479 B11R1.189 CCC1CN(CCO1)CC=O 34a_100000736320_200009817547 [0,1,0,1,0,0|2,0,0]=4 19480 B11R1.189 COC1CCCN(C1)CC=O 2230a_100000695604_200015260668 [0,1,0,1,0,0|2,0,0]=4 19481 B11R1.189 COC1CCCN(C1)CC=O 269982a_100000695604_200015260668 [0,1,0,1,0,0|2,0,0]=4 19482 B11R1.189 COC1CCCN(C1)CC=O 34a_100000695604_200009817547 [0,1,0,1,0,0|2,0,0]=4 19483 B11R1.189 O=CCN1CCCC(C1)CF 2230a_100016992999_200015260668 [0,1,0,1,0,0|2,0,0]=4 19484 B11R1.189 O=CCN1CCCC(C1)CF 269982a_100016992999_200015260668 [0,1,0,1,0,0|2,0,0]=4 19485 B11R1.189 O=CCN1CCCC(C1)CF 34a_100016992999_200009817547 [0,1,0,1,0,0|2,0,0]=4 19486 B11R1.189 O=CCN1CCCC(C1)CO 2230a_100000211344_200015260668 [0,1,0,1,0,0|2,0,0]=4 19487 B11R1.189 O=CCN1CCCC(C1)CO 269982a_100000211344_200015260668 [0,1,0,1,0,0|2,0,0]=4 19488 B11R1.189 O=CCN1CCCC(C1)CO 34a_100000211344_200009817547 [0,1,0,1,0,0|2,0,0]=4 19489 B11R1.199 C=CCC(=O)C1CCCC1C 1458a_100000690547_100000210623 [0,1,0,1,0,0|1,0,1]=4 19490 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|0,0,1]=3 19491 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|1,0,1]=4 19492 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,1,0,1,0,0|1,0,0]=3 19493 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,1,0,1,0,0|1,0,0]=3 19494 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,1,0,1,0,0|2,0,0]=4 19495 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,1,0,1,0,0|2,0,0]=4 19496 B11R1.199 CN(CCO)C1CCCC1=O 2230a_100000210263_100000211823 [0,1,0,1,0,0|2,0,0]=4 19497 B11R1.199 CN(CCO)C1CCCC1=O 269982a_100000210263_100000211823 [0,1,0,1,0,0|2,0,0]=4 19498 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,1,0,1,0,0|1,0,1]=4 19499 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,1,0,1,0,0|1,0,1]=4 19500 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,1,0,1,0,0|1,0,1]=4 19501 B11R1.210 CCCOC1CN(C1)CC=O 269982a_200020626125_200015260668 [0,1,0,1,0,0|2,0,0]=4 19502 B11R1.210 CCCOC1CN(C1)CC=O 34a_200020626125_200009817547 [0,1,0,1,0,0|2,0,0]=4 19503 B11R1.210 COCC1CC(C1)NCC=O 2230a_100012180050_200015260668 [0,1,0,1,0,0|2,0,0]=4 19504 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|2,0,0]=4 19505 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|2,0,0]=4 19506 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|2,0,0]=4 19507 B11R1.289 C=CCC(C)COC1CCC1 34a_100009832082_100000749161 [0,1,0,1,0,0|2,0,0]=4 19508 B11R1.289 C=CC[C@@H](C)OCC1CCC1 34a_100000731007_100000763275 [0,1,0,1,0,0|2,0,0]=4 19509 B11R1.289 C=CC[C@@H](C)OCC1CCC1 7a_100000731007_100000763275 [0,1,0,1,0,0|2,0,0]=4 19510 B11R1.289 C=CC[C@@H](N)COC1CCC1 34a_100020615467_100000749161 [0,1,0,1,0,0|2,0,0]=4 19511 B11R1.290 C=CCC(C)COCC1CC1 34a_100009832082_100000742324 [0,1,0,1,0,0|2,0,0]=4 19512 B11R1.290 C=CCC(C)COCC1CC1 7a_100009832082_100000742324 [0,1,0,1,0,0|2,0,0]=4 19513 B11R1.290 C=CC[C@@H](C)OCCC1CC1 34a_100000731007_100000694398 [0,1,0,1,0,0|2,0,0]=4 19514 B11R1.290 C=CC[C@@H](C)OCCC1CC1 7a_100000731007_100000764125 [0,1,0,1,0,0|2,0,0]=4 19515 B11R1.290 C=CC[C@@H](N)COCC1CC1 34a_100020615467_100000742324 [0,1,0,1,0,0|2,0,0]=4 19516 B11R1.291 CC(CCBr)OC1CCC1=O 34a_100012276601_100009892977 [0,1,0,1,0,0|2,0,0]=4 19517 B11R1.291 CC(CCO)SC1CCC1=O 62a_100009892977_100009893172 [0,1,0,1,0,0|2,0,0]=4 19518 B11R1.291 CC(CCO)SC1CCC1=O 62a_100009893172_100009892977 [0,1,0,1,0,0|2,0,0]=4 19519 B11R1.291 CCCC(C)OC1CCC1=O 34a_100000764384_100009892977 [0,1,0,1,0,0|1,0,0]=3 19520 B11R1.291 CCCC(C)OC1CCC1=O 7a_100000764384_100009892977 [0,1,0,1,0,0|1,0,0]=3 19521 B11R1.291 CCCC(C)SC1CCC1=O 62a_100000766640_100009892977 [0,1,0,1,0,0|1,0,0]=3 19522 B11R1.291 CCCC(C)SC1CCC1=O 62a_100009892977_100000766640 [0,1,0,1,0,0|1,0,0]=3 19523 B11R1.291 COCC(C)SC1CCC1=O 62a_100000765312_100009892977 [0,1,0,1,0,0|2,0,0]=4 19524 B11R1.291 COCC(C)SC1CCC1=O 62a_100009892977_100000765312 [0,1,0,1,0,0|2,0,0]=4 19525 B11R1.291 COC[C@@H](C)OC1CCC1=O 34a_100011934205_100009892977 [0,1,0,1,0,0|2,0,0]=4 19526 B11R1.291 C[C@H](CCO)NC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|2,0,0]=4 19527 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,1,0,1,0,0|1,0,1]=4 19528 B11R1.356 C=CCCCCN(C)C1CC1 2230a_100000226674_100011215482 [0,1,0,1,0,0|2,0,0]=4 19529 B11R1.356 C=CCCCCN(C)C1CC1 269982a_100000226674_100011215482 [0,1,0,1,0,0|2,0,0]=4 19530 B11R1.356 C=CCCCCN(C)C1CC1 269982a_100012000471_100000211595 [0,1,0,1,0,0|2,0,0]=4 19531 B11R1.356 C=CCCCNC(C)C1CC1 2230a_100000700016_100011713584 [0,1,0,1,0,0|2,0,0]=4 19532 B11R1.356 C=CCCCNC(C)C1CC1 269862a_100000700776_100000210639 [0,1,0,1,0,0|2,0,0]=4 19533 B11R1.356 C=CCCCNC(C)C1CC1 34a_100000700016_100000757094 [0,1,0,1,0,0|2,0,0]=4 19534 B11R1.356 C=CCCCOC(C)C1CC1 34a_100000744524_100000757094 [0,1,0,1,0,0|2,0,0]=4 19535 B11R1.356 C=CCCCOC(C)C1CC1 7a_100000744524_100000757094 [0,1,0,1,0,0|2,0,0]=4 19536 B11R1.356 C=CCCNCC(O)C1CC1 2230a_100000751198_100000754431 [0,1,0,1,0,0|2,0,0]=4 19537 B11R1.356 C=CCCNCC(O)C1CC1 34a_100000751198_100000754431 [0,1,0,1,0,0|2,0,0]=4 19538 B11R1.356 C=CCCOC[C@H](N)C1CC1 34a_100020623730_100000754431 [0,1,0,1,0,0|2,0,0]=4 19539 B11R1.356 CC(NCCCC=O)C1CC1 2230a_100000700016_200011292268 [0,1,0,1,0,0|1,0,0]=3 19540 B11R1.356 CC(OCCCC=O)C1CC1 7a_100000744524_200011292268 [0,1,0,1,0,0|1,0,0]=3 19541 B11R1.356 CN(CCCCC=O)C1CC1 2230a_100000226674_100000139335 [0,1,0,1,0,0|1,0,0]=3 19542 B11R1.356 CN(CCCCC=O)C1CC1 269982a_100000226674_100000139335 [0,1,0,1,0,0|1,0,0]=3 19543 B11R1.899 C=CCCCNC1(CCC1)C 2230a_100000692455_100011713584 [0,1,0,1,0,0|2,0,0]=4 19544 B11R1.899 C=CCCCNC1(CCC1)C 34a_100000692455_100000757094 [0,1,0,1,0,0|2,0,0]=4 19545 B11R1.899 C=CCCCOC1(CCC1)C 34a_100000759064_100000757094 [0,1,0,1,0,0|2,0,0]=4 19546 B11R1.899 C=CCCCOC1(CCC1)C 7a_100000759064_100000757094 [0,1,0,1,0,0|2,0,0]=4 19547 B11R1.899 C=CCCNCC1(CCC1)C 2230a_100000706607_100000754431 [0,1,0,1,0,0|2,0,0]=4 19548 B11R1.899 C=CCCNCC1(CCC1)C 2230a_100015191253_100000726658 [0,1,0,1,0,0|2,0,0]=4 19549 B11R1.899 C=CCCNCC1(CCC1)O 2230a_100000752638_100000754431 [0,1,0,1,0,0|2,0,0]=4 19550 B11R1.899 C=CCCOCC1(CCC1)C 34a_100011205117_100000726658 [0,1,0,1,0,0|2,0,0]=4 19551 B11R1.899 C=CCCSCC1(CCC1)C 62a_100000726658_100000754431 [0,1,0,1,0,0|2,0,0]=4 19552 B11R1.899 C=CCCSCC1(CCC1)C 62a_100000754431_100000726658 [0,1,0,1,0,0|2,0,0]=4 19553 B11R1.899 CC1(CCC1)NCCCC=O 2230a_100000692455_200011292268 [0,1,0,1,0,0|1,0,0]=3 19554 B11R1.899 CC1(CCC1)OCCCC=O 7a_100000759064_200011292268 [0,1,0,1,0,0|1,0,0]=3 19555 B11R1.899 CC1(COC1)NCCCC=O 2230a_100000732644_200011292268 [0,1,0,1,0,0|2,0,0]=4 19556 B11R1.899 CC1(CSC1)OCCCC=O 7a_100016018533_200011292268 [0,1,0,1,0,0|2,0,0]=4 19557 B11R1.27 C=CCCCN1CCC(C1)O 2230a_100011215560_100011713584 [0,1,0,1,0,0|2,0,0]=4 19558 B11R1.27 C=CCCCN1CCC(C1)O 269982a_100011215560_100000757094 [0,1,0,1,0,0|2,0,0]=4 19559 B11R1.27 C=CCCCN1CC[C@@H](C1)F 2230a_100015203821_100011713584 [0,1,0,1,0,0|2,0,0]=4 19560 B11R1.27 C=CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000757094 [0,1,0,1,0,0|2,0,0]=4 19561 B11R1.27 C=CCCCN1CC[C@@H](C1)F 34a_100015203821_100000757094 [0,1,0,1,0,0|2,0,0]=4 19562 B11R1.27 C=CCCCN1CC[C@H](C1)C 2230a_100016987628_100011713584 [0,1,0,1,0,0|2,0,0]=4 19563 B11R1.27 C=CCCCN1CC[C@H](C1)C 269982a_100016987628_100000757094 [0,1,0,1,0,0|2,0,0]=4 19564 B11R1.27 C=CCCCN1CC[C@H](C1)C 34a_100016987628_100000757094 [0,1,0,1,0,0|2,0,0]=4 19565 B11R1.27 C=CCCNC1CCC(C1)C 270004a_100015191253_100011215218 [0,1,0,1,0,0|2,0,0]=4 19566 B11R1.27 C=CCCNC1CCC(C1)O 270004a_100015191253_100012614533 [0,1,0,1,0,0|2,0,0]=4 19567 B11R1.27 C=CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000754431 [0,1,0,1,0,0|2,0,0]=4 19568 B11R1.27 C=CCCOC1CCC(C1)C 34a_100000698185_100000754431 [0,1,0,1,0,0|2,0,0]=4 19569 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,1,0,1,0,0|2,0,0]=4 19570 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,1,0,1,0,0|2,0,0]=4 19571 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|1,0,0]=3 19572 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,1,0,1,0,0|2,0,0]=4 19573 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,1,0,0|2,0,0]=4 19574 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,1,0,0|2,0,0]=4 19575 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,1,0,1,0,0|2,0,0]=4 19576 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,1,0,1,0,0|2,0,0]=4 19577 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,1,0,1,0,0|1,0,0]=3 19578 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,1,0,1,0,0|1,0,0]=3 19579 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,1,0,1,0,0|1,0,0]=3 19580 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,1,0,1,0,0|2,0,0]=4 19581 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|2,0,0]=4 19582 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|2,0,0]=4 19583 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|2,0,0]=4 19584 B11R1.27 CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210303 [0,1,0,1,0,0|2,0,0]=4 19585 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,1,0,1,0,0|2,0,0]=4 19586 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|2,0,0]=4 19587 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|2,0,0]=4 19588 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|2,0,0]=4 19589 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|2,0,0]=4 19590 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,1,0,1,0,0|1,0,0]=3 19591 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,1,0,1,0,0|1,0,0]=3 19592 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,1,0,1,0,0|2,0,0]=4 19593 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,1,0,1,0,0|2,0,0]=4 19594 B11R1.27 CN1CCC(C1)CSCC=O 62a_200000690779_200015260668 [0,1,0,1,0,0|2,0,0]=4 19595 B11R1.27 CN1CCC(C1)CSCC=O 62a_200015260668_200000690779 [0,1,0,1,0,0|2,0,0]=4 19596 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,1,0,1,0,0|2,0,0]=4 19597 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,1,0,1,0,0|2,0,0]=4 19598 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,1,0,1,0,0|2,0,0]=4 19599 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,1,0,1,0,0|2,0,0]=4 19600 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,1,0,1,0,0|2,0,0]=4 19601 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,1,0,1,0,0|2,0,0]=4 19602 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,1,0,1,0,0|2,0,0]=4 19603 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,1,0,1,0,0|2,0,0]=4 19604 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,1,0,1,0,0|2,0,0]=4 19605 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,1,0,1,0,0|2,0,0]=4 19606 B11R1.27 C[C@@H]1CCN(C1)CCCC=O 2230a_100016987628_200011292268 [0,1,0,1,0,0|1,0,0]=3 19607 B11R1.27 C[C@@H]1CCN(C1)CCCC=O 269982a_100016987628_200011292268 [0,1,0,1,0,0|1,0,0]=3 19608 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,1,0,1,0,0|2,0,0]=4 19609 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|2,0,0]=4 19610 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,1,0,1,0,0|2,0,0]=4 19611 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,1,0,1,0,0|2,0,0]=4 19612 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,1,0,1,0,0|2,0,0]=4 19613 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,1,0,1,0,0|2,0,0]=4 19614 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 19615 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 19616 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,1,0,1,0,0|2,0,0]=4 19617 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,1,0,1,0,0|2,0,0]=4 19618 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,1,0,1,0,0|2,0,0]=4 19619 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,1,0,1,0,0|2,0,0]=4 19620 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,1,0,1,0,0|2,0,0]=4 19621 B11R1.27 O=CCCCN1CCC(C1)O 2230a_100011215560_200011292268 [0,1,0,1,0,0|1,0,0]=3 19622 B11R1.27 O=CCCCN1CCC(C1)O 269982a_100011215560_200011292268 [0,1,0,1,0,0|1,0,0]=3 19623 B11R1.27 O=CCCCN1CC[C@@H](C1)F 2230a_100015203821_200011292268 [0,1,0,1,0,0|1,0,0]=3 19624 B11R1.27 O=CCCCN1CC[C@@H](C1)F 269982a_100015203821_200011292268 [0,1,0,1,0,0|1,0,0]=3 19625 B11R1.27 O=CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200009817547 [0,1,0,1,0,0|2,0,0]=4 19626 B11R1.46 C#CCCCOCC1CC1C 34a_100000744939_100000695029 [0,1,0,1,0,0|1,0,1]=4 19627 B11R1.46 C#CCCCOCC1CC1C 7a_100000744939_100011215417 [0,1,0,1,0,0|1,0,1]=4 19628 B11R1.46 C=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215482 [0,1,0,1,0,0|2,0,0]=4 19629 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215482 [0,1,0,1,0,0|2,0,0]=4 19630 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215482 [0,1,0,1,0,0|2,0,0]=4 19631 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,1,0,1,0,0|1,0,0]=3 19632 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,1,0,1,0,0|1,0,0]=3 19633 B11R1.46 C=COCCOCC1CC1C 34a_100000744939_100000039644 [0,1,0,1,0,0|2,0,0]=4 19634 B11R1.46 C=COCCOCC1CC1C 7a_100000744939_100000039644 [0,1,0,1,0,0|2,0,0]=4 19635 B11R1.46 CC1CC1COCCCC#N 7a_100000744939_100000687738 [0,1,0,1,0,0|1,0,1]=4 19636 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,1,0,1,0,0|0,0,0]=2 19637 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,1,0,1,0,0|1,0,1]=4 19638 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,1,0,1,0,0|1,0,1]=4 19639 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,1,0,1,0,0|0,0,2]=4 19640 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,1,0,1,0,0|0,0,2]=4 19641 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,1,0,1,0,0|1,0,1]=4 19642 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,1,0,1,0,0|1,0,1]=4 19643 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,1,0,1,0,0|1,0,1]=4 19644 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,1,0,1,0,0|1,0,1]=4 19645 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,1,0,1,0,0|1,0,1]=4 19646 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,1,0,1,0,0|2,0,0]=4 19647 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,1,0,1,0,0|2,0,0]=4 19648 B11R1.46 O=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139335 [0,1,0,1,0,0|1,0,0]=3 19649 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139335 [0,1,0,1,0,0|1,0,0]=3 19650 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,1,0,1,0,0|2,0,0]=4 19651 B11R1.53 CC(C)C1CCCCC1O[13CH3] 34a_100011709184_200025704644 [0,1,0,1,0,0|2,0,0]=4 19652 B11R1.53 CC(C)C1CCCCC1O[13CH3] 7a_100011709184_200025704644 [0,1,0,1,0,0|2,0,0]=4 19653 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,1,0,1,0,0|2,0,0]=4 19654 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,1,0,1,0,0|1,0,0]=3 19655 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,1,0,1,0,0|1,0,0]=3 19656 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,1,0,1,0,0|1,0,0]=3 19657 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,1,0,1,0,0|1,0,0]=3 19658 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|1,0,0]=3 19659 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,1,0,1,0,0|1,0,0]=3 19660 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,1,0,1,0,0|1,0,0]=3 19661 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,1,0,1,0,0|1,0,0]=3 19662 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|1,0,0]=3 19663 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|1,0,0]=3 19664 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,1,0,1,0,0|2,0,0]=4 19665 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,1,0,1,0,0|2,0,0]=4 19666 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,1,0,1,0,0|2,0,0]=4 19667 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 19668 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 19669 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 19670 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,1,0,1,0,0|2,0,0]=4 19671 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|1,0,0]=3 19672 B11R1.53 COC1CCCCC1C(C)C 34a_100011709184_200000210301 [0,1,0,1,0,0|2,0,0]=4 19673 B11R1.53 COC1CCCCC1C(C)C 7a_100011709184_200000210301 [0,1,0,1,0,0|2,0,0]=4 19674 B11R1.53 NC(=O)C1CCCCN1CF 269982a_100000181395_100015361967 [0,1,0,1,0,0|2,0,0]=4 19675 B11R1.53 NC(=O)C1CCCCN1CF 34a_100000181395_100015361967 [0,1,0,1,0,0|2,0,0]=4 19676 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,1,0,1,0,0|2,0,0]=4 19677 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|1,0,0]=3 19678 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [0,1,0,1,0,0|2,0,0]=4 19679 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [0,1,0,1,0,0|2,0,0]=4 19680 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [0,1,0,1,0,0|2,0,0]=4 19681 B11R1.57 C=C(F)CN1CCCC1CC 2230a_100000754278_100009893438 [0,1,0,1,0,0|2,0,0]=4 19682 B11R1.57 C=C(F)CN1CCCC1CC 269982a_100000754278_100009893438 [0,1,0,1,0,0|2,0,0]=4 19683 B11R1.57 C=C(F)CN1CCCC1CC 34a_100000754278_100009893438 [0,1,0,1,0,0|2,0,0]=4 19684 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,1,0,1,0,0|1,0,0]=3 19685 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,1,0,1,0,0|1,0,0]=3 19686 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,1,0,1,0,0|1,0,0]=3 19687 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,1,0,1,0,0|1,0,0]=3 19688 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,1,0,1,0,0|1,0,0]=3 19689 B11R1.57 CCC1CCCN1C[N+](=O)[O-] 269982a_100000754278_100000761209 [0,1,0,1,0,0|2,0,0]=4 19690 B11R1.57 CCC1CCCN1C[N+](=O)[O-] 34a_100000754278_100000761209 [0,1,0,1,0,0|2,0,0]=4 19691 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747473 [0,1,0,1,0,0|2,0,0]=4 19692 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000187820 [0,1,0,1,0,0|2,0,0]=4 19693 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000187820 [0,1,0,1,0,0|2,0,0]=4 19694 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 269982a_100000745186_100020667443 [0,1,0,1,0,0|2,0,0]=4 19695 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 34a_100000745186_100020667443 [0,1,0,1,0,0|2,0,0]=4 19696 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [0,1,0,1,0,0|2,0,0]=4 19697 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [0,1,0,1,0,0|2,0,0]=4 19698 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [0,1,0,1,0,0|2,0,0]=4 19699 B11R1.86 C=C(F)CN1CCCCC1C 2230a_100000211376_100009893438 [0,1,0,1,0,0|2,0,0]=4 19700 B11R1.86 C=C(F)CN1CCCCC1C 269982a_100000211376_100009893438 [0,1,0,1,0,0|2,0,0]=4 19701 B11R1.86 C=C(F)CN1CCCCC1C 34a_100000211376_100009893438 [0,1,0,1,0,0|2,0,0]=4 19702 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,1,0,0|1,0,0]=3 19703 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,1,0,0|1,0,0]=3 19704 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,1,0,0|1,0,0]=3 19705 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,1,0,0|1,0,0]=3 19706 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,1,0,0|1,0,0]=3 19707 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,1,0,0|2,0,0]=4 19708 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,1,0,0|2,0,0]=4 19709 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,1,0,0|2,0,0]=4 19710 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,1,0,0|2,0,0]=4 19711 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,1,0,0|2,0,0]=4 19712 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,1,0,0|2,0,0]=4 19713 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,1,0,1,0,0|1,0,0]=3 19714 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,1,0,1,0,0|2,0,0]=4 19715 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,1,0,1,0,0|2,0,0]=4 19716 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,1,0,1,0,0|2,0,0]=4 19717 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,1,0,1,0,0|2,0,0]=4 19718 B11R1.86 CC(C)NC1COCCC1=O 34a_100138425928_100012180262 [0,1,0,1,0,0|2,0,0]=4 19719 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,1,0,1,0,0|1,0,0]=3 19720 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,1,0,1,0,0|1,0,0]=3 19721 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000073722_100000210206 [0,1,0,1,0,0|2,0,0]=4 19722 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000212225_100000687798 [0,1,0,1,0,0|2,0,0]=4 19723 B11R1.86 CC(C)OC1COCCC1=O 34a_100000212225_100012180262 [0,1,0,1,0,0|2,0,0]=4 19724 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,1,0,1,0,0|1,0,0]=3 19725 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,1,0,1,0,0|1,0,0]=3 19726 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000210206_100000687798 [0,1,0,1,0,0|2,0,0]=4 19727 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000687798_100000210206 [0,1,0,1,0,0|2,0,0]=4 19728 B11R1.86 CC(C)SC1COCCC1=O 62a_100000210206_100012180262 [0,1,0,1,0,0|2,0,0]=4 19729 B11R1.86 CC(C)SC1COCCC1=O 62a_100012180262_100000210206 [0,1,0,1,0,0|2,0,0]=4 19730 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,1,0,1,0,0|1,0,0]=3 19731 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,1,0,1,0,0|1,0,0]=3 19732 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,1,0,1,0,0|1,0,0]=3 19733 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,1,0,1,0,0|1,0,0]=3 19734 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,1,0,1,0,0|1,0,0]=3 19735 B11R1.86 CC1CCCCN1C[N+](=O)[O-] 269982a_100000211376_100000761209 [0,1,0,1,0,0|2,0,0]=4 19736 B11R1.86 CC1CCCCN1C[N+](=O)[O-] 34a_100000211376_100000761209 [0,1,0,1,0,0|2,0,0]=4 19737 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,1,0,1,0,0|1,0,0]=3 19738 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,1,0,1,0,0|1,0,0]=3 19739 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,1,0,1,0,0|1,0,0]=3 19740 B11R1.86 C[C@H]1COCCN1CC(=O)N 2230a_100009815349_100000747473 [0,1,0,1,0,0|2,0,0]=4 19741 B11R1.86 C[C@H]1COCCN1CC(=O)N 269982a_100009815349_100000187820 [0,1,0,1,0,0|2,0,0]=4 19742 B11R1.86 C[C@H]1COCCN1CC(=O)N 34a_100009815349_100000187820 [0,1,0,1,0,0|2,0,0]=4 19743 B11R1.86 C[C@H]1COCCN1CC(=O)[O-] 269982a_100009815349_100020667443 [0,1,0,1,0,0|2,0,0]=4 19744 B11R1.86 C[C@H]1COCCN1CC(=O)[O-] 34a_100009815349_100020667443 [0,1,0,1,0,0|2,0,0]=4 19745 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,1,0,1,0,0|1,0,0]=3 19746 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,1,0,1,0,0|1,0,0]=3 19747 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,1,0,1,0,0|1,0,0]=3 19748 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [0,1,0,1,0,0|2,0,0]=4 19749 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [0,1,0,1,0,0|2,0,0]=4 19750 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [0,1,0,1,0,0|2,0,0]=4 19751 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [0,1,0,1,0,0|2,0,0]=4 19752 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [0,1,0,1,0,0|2,0,0]=4 19753 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [0,1,0,1,0,0|1,0,1]=4 19754 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [0,1,0,1,0,0|1,0,1]=4 19755 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [0,1,0,1,0,0|2,0,0]=4 19756 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [0,1,0,1,0,0|2,0,0]=4 19757 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [0,1,0,1,0,0|1,0,1]=4 19758 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [0,1,0,1,0,0|1,0,1]=4 19759 B11R1.90 C=C(F)COC1CCCC1C 34a_100011216460_100009893438 [0,1,0,1,0,0|2,0,0]=4 19760 B11R1.90 C=C(F)COC1CCCC1C 7a_100011216460_100000042424 [0,1,0,1,0,0|2,0,0]=4 19761 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,1,0,0|1,0,0]=3 19762 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|1,0,1]=4 19763 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,1,0,1,0,0|1,0,1]=4 19764 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,1,0,1,0,0|1,0,1]=4 19765 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,1,0,0|1,0,0]=3 19766 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,1,0,0|1,0,0]=3 19767 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [0,1,0,1,0,0|2,0,0]=4 19768 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [0,1,0,1,0,0|1,0,1]=4 19769 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,1,0,1,0,0|2,0,0]=4 19770 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,1,0,1,0,0|2,0,0]=4 19771 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,1,0,1,0,0|2,0,0]=4 19772 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,1,0,1,0,0|2,0,0]=4 19773 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,1,0,1,0,0|2,0,0]=4 19774 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,1,0,1,0,0|1,0,0]=3 19775 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,1,0,1,0,0|2,0,0]=4 19776 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,1,0,1,0,0|1,0,0]=3 19777 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,1,0,1,0,0|1,0,0]=3 19778 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,1,0,1,0,0|2,0,0]=4 19779 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,1,0,1,0,0|2,0,0]=4 19780 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,1,0,1,0,0|2,0,0]=4 19781 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,1,0,1,0,0|2,0,0]=4 19782 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,1,0,1,0,0|2,0,0]=4 19783 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,1,0,1,0,0|1,0,0]=3 19784 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,1,0,1,0,0|1,0,0]=3 19785 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,1,0,1,0,0|2,0,0]=4 19786 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,1,0,1,0,0|2,0,0]=4 19787 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,1,0,1,0,0|1,0,0]=3 19788 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,1,0,1,0,0|1,0,0]=3 19789 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,1,0,1,0,0|2,0,0]=4 19790 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,1,0,1,0,0|2,0,0]=4 19791 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,1,0,1,0,0|2,0,0]=4 19792 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000026320_100000210206 [0,1,0,1,0,0|2,0,0]=4 19793 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000210206_100000026320 [0,1,0,1,0,0|2,0,0]=4 19794 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,1,0,1,0,0|1,0,0]=3 19795 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,1,0,1,0,0|2,0,0]=4 19796 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,1,0,1,0,0|1,0,0]=3 19797 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|1,0,0]=3 19798 B11R1.90 CC(O)CNC1CCNC1=O 2230a_100016995588_100011218427 [0,1,0,1,0,0|2,0,0]=4 19799 B11R1.90 CC(O)CNC1CCNC1=O 34a_100016995588_100011218427 [0,1,0,1,0,0|2,0,0]=4 19800 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,1,0,1,0,0|2,0,0]=4 19801 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|2,0,0]=4 19802 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,1,0,1,0,0|1,0,0]=3 19803 B11R1.90 CC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218427 [0,1,0,1,0,0|2,0,0]=4 19804 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,1,0,1,0,0|1,0,0]=3 19805 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,1,0,1,0,0|1,0,0]=3 19806 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,1,0,1,0,0|2,0,0]=4 19807 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,1,0,1,0,0|2,0,0]=4 19808 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,1,0,1,0,0|1,0,0]=3 19809 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,1,0,1,0,0|1,0,0]=3 19810 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,1,0,1,0,0|1,0,0]=3 19811 B11R1.90 CC1CCCC1OC[N+](=O)[O-] 34a_100011216460_100000761209 [0,1,0,1,0,0|2,0,0]=4 19812 B11R1.90 CC1SCCN1CCC(=O)N 2230a_200011216479_100000744528 [0,1,0,1,0,0|2,0,0]=4 19813 B11R1.90 CC1SCCN1CCC(=O)N 269982a_200011216479_100000744528 [0,1,0,1,0,0|2,0,0]=4 19814 B11R1.90 CC1SCCN1CCC(=O)N 34a_200011216479_100000731001 [0,1,0,1,0,0|2,0,0]=4 19815 B11R1.90 CN(C)CCN1CCCC1=O 2230a_100102631434_100000739059 [0,1,0,1,0,0|2,0,0]=4 19816 B11R1.90 CN(C)CCN1CCCC1=O 269982a_100102631434_100000739059 [0,1,0,1,0,0|2,0,0]=4 19817 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,1,0,1,0,0|1,0,0]=3 19818 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,1,0,1,0,0|2,0,0]=4 19819 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,1,0,1,0,0|1,0,0]=3 19820 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,1,0,1,0,0|2,0,0]=4 19821 B11R1.90 C[C@@H](O)CNC1CCNC1=O 2230a_100016995588_100009817552 [0,1,0,1,0,0|2,0,0]=4 19822 B11R1.90 C[C@@H](O)CNC1CCNC1=O 34a_100016995588_100009817552 [0,1,0,1,0,0|2,0,0]=4 19823 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,1,0,1,0,0|1,0,0]=3 19824 B11R1.90 C[C@@H](O)CO[C@H]1CCNC1=O 34a_100000688343_100009817552 [0,1,0,1,0,0|2,0,0]=4 19825 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,1,0,1,0,0|1,0,0]=3 19826 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,1,0,1,0,0|1,0,0]=3 19827 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,1,0,1,0,0|2,0,0]=4 19828 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,1,0,1,0,0|2,0,0]=4 19829 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [0,1,0,1,0,0|1,0,0]=3 19830 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [0,1,0,1,0,0|1,0,0]=3 19831 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [0,1,0,1,0,0|1,0,0]=3 19832 B11R1.90 C[C@@H]1CNC[C@@H]1OCC(=O)N 34a_200015306588_100000187820 [0,1,0,1,0,0|2,0,0]=4 19833 B11R1.90 C[C@@H]1CNC[C@@H]1OCC(=O)[O-] 34a_200015306588_100020667443 [0,1,0,1,0,0|2,0,0]=4 19834 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [0,1,0,1,0,0|1,0,0]=3 19835 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [0,1,0,1,0,0|1,0,0]=3 19836 B11R1.90 NC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000187820 [0,1,0,1,0,0|2,0,0]=4 19837 B11R1.90 NC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000187820 [0,1,0,1,0,0|2,0,0]=4 19838 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747473_200016002552 [0,1,0,1,0,0|2,0,0]=4 19839 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747473 [0,1,0,1,0,0|2,0,0]=4 19840 B11R1.90 N[C@H]1CCC[C@@H]1OCC(=O)[O-] 34a_100000748460_100020667443 [0,1,0,1,0,0|2,0,0]=4 19841 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,1,0,1,0,0|2,0,0]=4 19842 B11R1.90 O=C([O-])CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100020667443 [0,1,0,1,0,0|2,0,0]=4 19843 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_100020667443_200016002552 [0,1,0,1,0,0|2,0,0]=4 19844 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_200016002552_100020667443 [0,1,0,1,0,0|2,0,0]=4 19845 B11R1.90 O=C1CCCC1NCC(F)F 34a_100000765723_100000709159 [0,1,0,1,0,0|2,0,0]=4 19846 B11R1.90 O=C1CCCC1OCC(F)F 34a_100000743014_100000709159 [0,1,0,1,0,0|2,0,0]=4 19847 B11R1.90 O=C1CCCC1OCC(F)F 34a_200000719330_100011934356 [0,1,0,1,0,0|2,0,0]=4 19848 B11R1.90 O=C1CCCC1SCC(F)F 62a_100000211823_100011934356 [0,1,0,1,0,0|2,0,0]=4 19849 B11R1.90 O=C1CCCC1SCC(F)F 62a_100011934356_100000211823 [0,1,0,1,0,0|2,0,0]=4 19850 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|1,0,1]=4 19851 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,1,0,1,0,0|1,0,1]=4 19852 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,1,0,1,0,0|2,0,0]=4 19853 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,1,0,1,0,0|2,0,0]=4 19854 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,1,0,1,0,0|2,0,0]=4 19855 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,1,0,1,0,0|2,0,0]=4 19856 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,1,0,1,0,0|2,0,0]=4 19857 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,1,0,1,0,0|2,0,0]=4 19858 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,1,0,1,0,0|2,0,0]=4 19859 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,1,0,1,0,0|2,0,0]=4 19860 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,1,0,1,0,0|2,0,0]=4 19861 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,1,0,1,0,0|2,0,0]=4 19862 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,1,0,1,0,0|2,0,0]=4 19863 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,1,0,1,0,0|2,0,0]=4 19864 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,1,0,1,0,0|2,0,0]=4 19865 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,1,0,1,0,0|2,0,0]=4 19866 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,1,0,1,0,0|0,0,2]=4 19867 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|0,0,0]=2 19868 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|0,0,0]=2 19869 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,1,0,1,0,0|1,0,0]=3 19870 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,1,0,1,0,0|2,0,0]=4 19871 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,1,0,1,0,0|1,0,0]=3 19872 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,1,0,1,0,0|1,0,0]=3 19873 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,1,0,1,0,0|2,0,0]=4 19874 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,1,0,1,0,0|2,0,0]=4 19875 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [0,1,0,1,0,0|2,0,0]=4 19876 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [0,1,0,1,0,0|2,0,0]=4 19877 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [0,1,0,1,0,0|2,0,0]=4 19878 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [0,1,0,1,0,0|2,0,0]=4 19879 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|1,0,0]=3 19880 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|1,0,0]=3 19881 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|1,0,0]=3 19882 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,1,0,1,0,0|2,0,0]=4 19883 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,1,0,1,0,0|2,0,0]=4 19884 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,1,0,1,0,0|1,0,0]=3 19885 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,1,0,1,0,0|1,0,0]=3 19886 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,1,0,1,0,0|1,0,0]=3 19887 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,1,0,1,0,0|1,0,0]=3 19888 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,1,0,1,0,0|2,0,0]=4 19889 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,1,0,1,0,0|2,0,0]=4 19890 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,1,0,1,0,0|2,0,0]=4 19891 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,1,0,1,0,0|2,0,0]=4 19892 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,1,0,1,0,0|2,0,0]=4 19893 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,1,0,1,0,0|2,0,0]=4 19894 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,1,0,1,0,0|2,0,0]=4 19895 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,1,0,1,0,0|2,0,0]=4 19896 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,1,0,1,0,0|2,0,0]=4 19897 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,1,0,1,0,0|2,0,0]=4 19898 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,1,0,1,0,0|2,0,0]=4 19899 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,1,0,1,0,0|2,0,0]=4 19900 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,1,0,1,0,0|2,0,0]=4 19901 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,1,0,1,0,0|2,0,0]=4 19902 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,1,0,1,0,0|2,0,0]=4 19903 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,1,0,1,0,0|2,0,0]=4 19904 B11R1.91 CC(C)CNC1C=CCCC1 2230a_100000210953_100000751183 [0,1,0,1,0,0|2,0,0]=4 19905 B11R1.91 CC(C)COC1C=CCCC1 34a_100011215024_100000210624 [0,1,0,1,0,0|2,0,0]=4 19906 B11R1.91 CC(C)CSC1C=CCCC1 62a_100000210624_100000751183 [0,1,0,1,0,0|2,0,0]=4 19907 B11R1.91 CC(C)CSC1C=CCCC1 62a_100000751183_100000210760 [0,1,0,1,0,0|2,0,0]=4 19908 B11R1.91 CC(O)CNC1C=CCCC1 2230a_100000210904_100000751183 [0,1,0,1,0,0|2,0,0]=4 19909 B11R1.91 CC(O)COC1C=CCCC1 34a_100011215024_100011218427 [0,1,0,1,0,0|2,0,0]=4 19910 B11R1.91 CC(O)CSC1C=CCCC1 62a_100000751183_100011218427 [0,1,0,1,0,0|2,0,0]=4 19911 B11R1.91 CC(O)CSC1C=CCCC1 62a_100011218427_100000751183 [0,1,0,1,0,0|2,0,0]=4 19912 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,1,0,1,0,0|2,0,0]=4 19913 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,1,0,1,0,0|2,0,0]=4 19914 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,1,0,1,0,0|2,0,0]=4 19915 B11R1.91 C[C@@H](O)COC1C=CCCC1 34a_100011215024_100009817552 [0,1,0,1,0,0|2,0,0]=4 19916 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100000751183_100009817552 [0,1,0,1,0,0|2,0,0]=4 19917 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100009817552_100000751183 [0,1,0,1,0,0|2,0,0]=4 19918 B11R1.91 NC(=O)CCN1CCCOC1 2230a_100000131196_100000744528 [0,1,0,1,0,0|2,0,0]=4 19919 B11R1.91 NC(=O)CCN1CCCOC1 269982a_100000131196_100000744528 [0,1,0,1,0,0|2,0,0]=4 19920 B11R1.91 NC(=O)CCN1CCCOC1 34a_100000131196_100000731001 [0,1,0,1,0,0|2,0,0]=4 19921 B11R1.91 NC(=O)CCN1CCOCC1 2230a_100015191051_100000744528 [0,1,0,1,0,0|2,0,0]=4 19922 B11R1.91 NC(=O)CCN1CCOCC1 269982a_100015191051_100000744528 [0,1,0,1,0,0|2,0,0]=4 19923 B11R1.91 NC(=O)CCN1CCOCC1 34a_100015191051_100000731001 [0,1,0,1,0,0|2,0,0]=4 19924 B11R1.91 NC(=O)CCN1CCSCC1 2230a_100000737611_100000744528 [0,1,0,1,0,0|2,0,0]=4 19925 B11R1.91 NC(=O)CCN1CCSCC1 269982a_100000737611_100000744528 [0,1,0,1,0,0|2,0,0]=4 19926 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,1,0,1,0,0|1,0,0]=3 19927 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,1,0,1,0,0|1,0,0]=3 19928 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,1,0,1,0,0|2,0,0]=4 19929 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,1,0,1,0,0|2,0,0]=4 19930 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,1,0,1,0,0|2,0,0]=4 19931 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,1,0,1,0,0|2,0,0]=4 19932 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,1,0,1,0,0|2,0,0]=4 19933 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,1,0,1,0,0|2,0,0]=4 19934 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,1,0,1,0,0|1,0,0]=3 19935 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,1,0,1,0,0|1,0,0]=3 19936 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,1,0,1,0,0|2,0,0]=4 19937 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,1,0,1,0,0|2,0,0]=4 19938 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,1,0,1,0,0|2,0,0]=4 19939 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,1,0,1,0,0|2,0,0]=4 19940 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,1,0,1,0,0|2,0,0]=4 19941 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,1,0,1,0,0|2,0,0]=4 19942 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,1,0,1,0,0|1,0,0]=3 19943 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,1,0,1,0,0|1,0,0]=3 19944 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,1,0,1,0,0|2,0,0]=4 19945 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,1,0,1,0,0|2,0,0]=4 19946 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,1,0,1,0,0|2,0,0]=4 19947 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,1,0,1,0,0|1,0,0]=3 19948 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,1,0,1,0,0|2,0,0]=4 19949 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,1,0,1,0,0|2,0,0]=4 19950 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,1,0,1,0,0|2,0,0]=4 19951 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,1,0,1,0,0|1,0,0]=3 19952 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,1,0,1,0,0|2,0,0]=4 19953 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,1,0,1,0,0|2,0,0]=4 19954 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,1,0,1,0,0|2,0,0]=4 19955 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,1,0,1,0,0|1,0,0]=3 19956 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,1,0,1,0,0|2,0,0]=4 19957 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,1,0,1,0,0|2,0,0]=4 19958 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,1,0,1,0,0|2,0,0]=4 19959 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,1,0,1,0,0|2,0,0]=4 19960 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,1,0,1,0,0|1,0,0]=3 19961 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,1,0,1,0,0|1,0,0]=3 19962 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,1,0,1,0,0|2,0,0]=4 19963 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,1,0,1,0,0|2,0,0]=4 19964 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,1,0,1,0,0|2,0,0]=4 19965 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,1,0,1,0,0|2,0,0]=4 19966 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,1,0,1,0,0|2,0,0]=4 19967 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,1,0,1,0,0|2,0,0]=4 19968 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,1,0,1,0,0|0,0,2]=4 19969 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|0,0,0]=2 19970 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,1,0,1,0,0|1,0,0]=3 19971 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,1,0,1,0,0|2,0,0]=4 19972 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [0,1,0,1,0,0|2,0,0]=4 19973 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|1,0,0]=3 19974 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,1,0,1,0,0|1,0,1]=4 19975 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [0,1,0,1,0,0|1,0,1]=4 19976 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [0,1,0,1,0,0|1,0,1]=4 19977 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [0,1,0,1,0,0|1,0,1]=4 19978 B11R1.99 C#CCCCCCNC1CC1 34a_100000212008_100012094781 [0,1,0,1,0,0|1,0,1]=4 19979 B11R1.99 C#CCCCCCOC1CC1 34a_100000766912_100000211595 [0,1,0,1,0,0|1,0,1]=4 19980 B11R1.99 C#CCCCCCSC1CC1 62a_100012094781_100000211595 [0,1,0,1,0,0|1,0,1]=4 19981 B11R1.99 C#CCCCCNCC1CC1 2230a_100000706060_100000742324 [0,1,0,1,0,0|1,0,1]=4 19982 B11R1.99 C#CCCCCNCC1CC1 2230a_100000735609_100010269958 [0,1,0,1,0,0|1,0,1]=4 19983 B11R1.99 C#CCCCCNCC1CC1 34a_100000706060_100000742324 [0,1,0,1,0,0|1,0,1]=4 19984 B11R1.99 C#CCCCCNCC1CC1 34a_100000735609_100010269958 [0,1,0,1,0,0|1,0,1]=4 19985 B11R1.99 C#CCCCCOCC1CC1 34a_100000211283_100010269958 [0,1,0,1,0,0|1,0,1]=4 19986 B11R1.99 C#CCCCCOCC1CC1 34a_100000766709_100000742324 [0,1,0,1,0,0|1,0,1]=4 19987 B11R1.99 C#CCCCCOCC1CC1 7a_100000766709_100000742324 [0,1,0,1,0,0|1,0,1]=4 19988 B11R1.99 C#CCCCCSCC1CC1 62a_100000756562_100010269958 [0,1,0,1,0,0|1,0,1]=4 19989 B11R1.99 C#CCCCCSCC1CC1 62a_100010269958_100000742324 [0,1,0,1,0,0|1,0,1]=4 19990 B11R1.99 C#CCCCNCCC1CC1 34a_100000718082_100000694398 [0,1,0,1,0,0|1,0,1]=4 19991 B11R1.99 C#CCCCNCCC1CC1 34a_100000764129_100000695029 [0,1,0,1,0,0|1,0,1]=4 19992 B11R1.99 C#CCCCOCCC1CC1 34a_100000215630_100000694398 [0,1,0,1,0,0|1,0,1]=4 19993 B11R1.99 C#CCCCOCCC1CC1 34a_100000754188_100000695029 [0,1,0,1,0,0|1,0,1]=4 19994 B11R1.99 C#CCCCOCCC1CC1 7a_100000215630_100000764125 [0,1,0,1,0,0|1,0,1]=4 19995 B11R1.99 C#CCCCOCCC1CC1 7a_100000754188_100011215417 [0,1,0,1,0,0|1,0,1]=4 19996 B11R1.99 C#CCCCSCCC1CC1 62a_100000764125_100011215417 [0,1,0,1,0,0|1,0,1]=4 19997 B11R1.99 C#CCCCSCCC1CC1 62a_100011215417_100000764125 [0,1,0,1,0,0|1,0,1]=4 19998 B11R1.99 C/C=C/CCOCCC1CC1 34a_100016278192_100000694398 [0,1,0,1,0,0|1,0,1]=4 19999 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [0,1,0,1,0,0|1,0,0]=3 20000 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [0,1,0,1,0,0|1,0,0]=3 20001 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [0,1,0,1,0,0|1,0,0]=3 20002 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,1,0,1,0,0|1,0,0]=3 20003 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,1,0,1,0,0|1,0,0]=3 20004 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,1,0,1,0,0|1,0,0]=3 20005 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,1,0,1,0,0|1,0,0]=3 20006 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,1,0,1,0,0|1,0,0]=3 20007 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [0,1,0,1,0,0|2,0,0]=4 20008 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [0,1,0,1,0,0|2,0,0]=4 20009 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,1,0,1,0,0|1,0,0]=3 20010 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,1,0,1,0,0|1,0,0]=3 20011 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,1,0,1,0,0|1,0,0]=3 20012 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,1,0,1,0,0|2,0,0]=4 20013 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,1,0,1,0,0|2,0,0]=4 20014 B11R1.99 C=CCCCCOCC1CS1 7a_100000766645_100000031435 [0,1,0,1,0,0|2,0,0]=4 20015 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,1,0,1,0,0|2,0,0]=4 20016 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,1,0,1,0,0|2,0,0]=4 20017 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,1,0,1,0,0|1,0,0]=3 20018 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,1,0,1,0,0|1,0,0]=3 20019 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [0,1,0,1,0,0|2,0,0]=4 20020 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [0,1,0,1,0,0|2,0,0]=4 20021 B11R1.99 C=CCCCCSCC1CS1 62a_100000031435_100011215482 [0,1,0,1,0,0|2,0,0]=4 20022 B11R1.99 C=CCCCCSCC1CS1 62a_100011215482_100000031435 [0,1,0,1,0,0|2,0,0]=4 20023 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [0,1,0,1,0,0|2,0,0]=4 20024 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [0,1,0,1,0,0|2,0,0]=4 20025 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,1,0,1,0,0|1,0,0]=3 20026 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,1,0,1,0,0|1,0,0]=3 20027 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,1,0,1,0,0|1,0,0]=3 20028 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [0,1,0,1,0,0|2,0,0]=4 20029 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [0,1,0,1,0,0|2,0,0]=4 20030 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,1,0,1,0,0|1,0,0]=3 20031 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,1,0,1,0,0|1,0,0]=3 20032 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,1,0,1,0,0|1,0,0]=3 20033 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,1,0,1,0,0|1,0,0]=3 20034 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,1,0,1,0,0|2,0,0]=4 20035 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,1,0,1,0,0|2,0,0]=4 20036 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,1,0,1,0,0|2,0,0]=4 20037 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,1,0,1,0,0|1,0,0]=3 20038 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,1,0,1,0,0|1,0,0]=3 20039 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [0,1,0,1,0,0|2,0,0]=4 20040 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [0,1,0,1,0,0|2,0,0]=4 20041 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [0,1,0,1,0,0|2,0,0]=4 20042 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,1,0,1,0,0|2,0,0]=4 20043 B11R1.99 C=CCCOCCNC1CC1 34a_100000738766_100000754431 [0,1,0,1,0,0|2,0,0]=4 20044 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [0,1,0,1,0,0|2,0,0]=4 20045 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [0,1,0,1,0,0|2,0,0]=4 20046 B11R1.99 C=CCOCCOCC1CC1 34a_100000037705_100000742324 [0,1,0,1,0,0|2,0,0]=4 20047 B11R1.99 C=CCOCCOCC1CC1 7a_100000037705_100000742324 [0,1,0,1,0,0|2,0,0]=4 20048 B11R1.99 C=COCCCCOC1CC1 34a_100000031558_100000211595 [0,1,0,1,0,0|2,0,0]=4 20049 B11R1.99 C=COCCCNCC1CC1 2230a_100000210767_100000742324 [0,1,0,1,0,0|2,0,0]=4 20050 B11R1.99 C=COCCCNCC1CC1 269862a_100000210767_100000741477 [0,1,0,1,0,0|2,0,0]=4 20051 B11R1.99 C=COCCCNCC1CC1 34a_100000210767_100000742324 [0,1,0,1,0,0|2,0,0]=4 20052 B11R1.99 C=COCCNCCC1CC1 34a_100000764129_100000039644 [0,1,0,1,0,0|2,0,0]=4 20053 B11R1.99 C=COCCOCCC1CC1 34a_100000033082_100000694398 [0,1,0,1,0,0|2,0,0]=4 20054 B11R1.99 C=COCCOCCC1CC1 34a_100000754188_100000039644 [0,1,0,1,0,0|2,0,0]=4 20055 B11R1.99 C=COCCOCCC1CC1 7a_100000754188_100000039644 [0,1,0,1,0,0|2,0,0]=4 20056 B11R1.99 C=COCCSCCC1CC1 62a_100000039644_100000764125 [0,1,0,1,0,0|2,0,0]=4 20057 B11R1.99 C=COCCSCCC1CC1 62a_100000764125_100000039644 [0,1,0,1,0,0|2,0,0]=4 20058 B11R1.99 CC=CCCCOCC1CC1 34a_100020645299_100000742324 [0,1,0,1,0,0|1,0,1]=4 20059 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,1,0,1,0,0|1,0,1]=4 20060 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,1,0,1,0,0|1,0,1]=4 20061 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,1,0,1,0,0|1,0,1]=4 20062 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [0,1,0,1,0,0|1,0,1]=4 20063 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [0,1,0,1,0,0|1,0,1]=4 20064 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [0,1,0,1,0,0|1,0,1]=4 20065 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [0,1,0,1,0,0|1,0,1]=4 20066 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|0,0,2]=4 20067 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [0,1,0,1,0,0|1,0,1]=4 20068 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [0,1,0,1,0,0|1,0,1]=4 20069 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [0,1,0,1,0,0|1,0,1]=4 20070 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|0,0,2]=4 20071 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|0,0,2]=4 20072 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [0,1,0,1,0,0|0,1,1]=4 20073 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|0,0,2]=4 20074 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|0,0,2]=4 20075 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [0,1,0,1,0,0|1,0,1]=4 20076 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [0,1,0,1,0,0|1,0,1]=4 20077 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|0,0,2]=4 20078 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|0,0,2]=4 20079 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [0,1,0,1,0,0|0,1,1]=4 20080 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [0,1,0,1,0,0|0,1,1]=4 20081 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|0,0,2]=4 20082 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|0,0,2]=4 20083 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [0,1,0,1,0,0|1,0,1]=4 20084 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [0,1,0,1,0,0|1,0,1]=4 20085 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|0,0,2]=4 20086 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [0,1,0,1,0,0|1,0,1]=4 20087 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [0,1,0,1,0,0|1,0,1]=4 20088 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [0,1,0,1,0,0|1,0,1]=4 20089 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [0,1,0,1,0,0|1,0,1]=4 20090 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|0,0,2]=4 20091 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|0,0,2]=4 20092 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|0,0,2]=4 20093 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [0,1,0,1,0,0|1,0,1]=4 20094 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [0,1,0,1,0,0|1,0,1]=4 20095 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|0,0,2]=4 20096 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|0,0,2]=4 20097 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|0,0,2]=4 20098 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|0,0,2]=4 20099 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|0,0,2]=4 20100 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|0,0,2]=4 20101 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|0,0,2]=4 20102 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|0,0,2]=4 20103 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,1,0,1,0,0|2,0,0]=4 20104 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [0,1,0,1,0,0|2,0,0]=4 20105 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,1,0,1,0,0|2,0,0]=4 20106 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [0,1,0,1,0,0|2,0,0]=4 20107 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [0,1,0,1,0,0|2,0,0]=4 20108 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [0,1,0,1,0,0|2,0,0]=4 20109 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [0,1,0,1,0,0|2,0,0]=4 20110 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [0,1,0,1,0,0|2,0,0]=4 20111 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [0,1,0,1,0,0|2,0,0]=4 20112 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,1,0,1,0,0|2,0,0]=4 20113 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,1,0,1,0,0|2,0,0]=4 20114 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,1,0,1,0,0|2,0,0]=4 20115 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,1,0,1,0,0|2,0,0]=4 20116 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,1,0,1,0,0|2,0,0]=4 20117 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,1,0,1,0,0|2,0,0]=4 20118 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,1,0,1,0,0|2,0,0]=4 20119 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [0,1,0,1,0,0|2,0,0]=4 20120 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [0,1,0,1,0,0|2,0,0]=4 20121 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [0,1,0,1,0,0|2,0,0]=4 20122 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [0,1,0,1,0,0|2,0,0]=4 20123 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [0,1,0,1,0,0|2,0,0]=4 20124 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,1,0,1,0,0|1,0,1]=4 20125 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [0,1,0,1,0,0|1,0,1]=4 20126 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [0,1,0,1,0,0|1,0,1]=4 20127 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [0,1,0,1,0,0|1,0,1]=4 20128 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [0,1,0,1,0,0|1,0,1]=4 20129 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [0,1,0,1,0,0|1,0,1]=4 20130 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,1,0,1,0,0|1,0,1]=4 20131 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [0,1,0,1,0,0|1,0,1]=4 20132 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [0,1,0,1,0,0|1,0,1]=4 20133 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [0,1,0,1,0,0|1,0,1]=4 20134 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [0,1,0,1,0,0|1,0,1]=4 20135 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [0,1,0,1,0,0|1,0,1]=4 20136 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [0,1,0,1,0,0|1,0,1]=4 20137 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [0,1,0,1,0,0|1,0,1]=4 20138 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [0,1,0,1,0,0|1,0,1]=4 20139 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [0,1,0,1,0,0|1,0,1]=4 20140 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [0,1,0,1,0,0|1,0,1]=4 20141 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [0,1,0,1,0,0|1,0,1]=4 20142 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [0,1,0,1,0,0|1,0,1]=4 20143 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [0,1,0,1,0,0|1,0,1]=4 20144 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [0,1,0,1,0,0|1,0,1]=4 20145 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [0,1,0,1,0,0|1,0,1]=4 20146 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [0,1,0,1,0,0|1,0,1]=4 20147 B11R1.99 N#CCCCCCSC1CC1 62a_100009813376_100000211595 [0,1,0,1,0,0|1,0,1]=4 20148 B11R1.99 N#CCCCCNCC1CC1 2230a_100000735609_100000211819 [0,1,0,1,0,0|1,0,1]=4 20149 B11R1.99 N#CCCCCSCC1CC1 62a_100000756562_100000211819 [0,1,0,1,0,0|1,0,1]=4 20150 B11R1.99 N#CCCCCSCC1CC1 62a_100011219923_100000742324 [0,1,0,1,0,0|1,0,1]=4 20151 B11R1.99 N#CCCCOCCC1CC1 7a_100000754188_100000687738 [0,1,0,1,0,0|1,0,1]=4 20152 B11R1.99 N#CCCCSCCC1CC1 62a_100000687738_100000764125 [0,1,0,1,0,0|1,0,1]=4 20153 B11R1.99 N#CCCCSCCC1CC1 62a_100000764125_100000687738 [0,1,0,1,0,0|1,0,1]=4 20154 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|1,0,1]=4 20155 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|1,0,1]=4 20156 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|1,0,1]=4 20157 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [0,1,0,1,0,0|0,0,0]=2 20158 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,1,0,1,0,0|0,0,0]=2 20159 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,1,0,1,0,0|0,0,0]=2 20160 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,1,0,1,0,0|0,0,0]=2 20161 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,1,0,1,0,0|1,0,0]=3 20162 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,1,0,1,0,0|1,0,0]=3 20163 B11R1.99 O=CCCCCSCC1CS1 62a_100000031435_100000139335 [0,1,0,1,0,0|1,0,0]=3 20164 B11R1.99 O=CCCCCSCC1CS1 62a_100000139335_100000031435 [0,1,0,1,0,0|1,0,0]=3 20165 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,1,0,1,0,0|1,0,0]=3 20166 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,1,0,1,0,0|1,0,0]=3 20167 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,1,0,1,0,0|0,0,0]=2 20168 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,1,0,1,0,0|0,0,0]=2 20169 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,1,0,1,0,0|0,0,0]=2 20170 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [0,1,0,1,0,0|1,0,0]=3 20171 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [0,1,0,1,0,0|1,0,0]=3 20172 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,1,0,1,0,0|0,0,2]=4 20173 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|0,0,2]=4 20174 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,1,0,1,0,0|0,0,2]=4 20175 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,1,0,1,0,0|0,0,2]=4 20176 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,1,0,1,0,0|0,0,2]=4 20177 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,1,0,1,0,0|0,0,2]=4 20178 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,1,0,1,0,0|0,0,2]=4 20179 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|0,0,2]=4 20180 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|0,0,2]=4 20181 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,1,0,1,0,0|0,0,2]=4 20182 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,1,0,1,0,0|0,0,2]=4 20183 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,1,0,1,0,0|0,0,2]=4 20184 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|0,0,2]=4 20185 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,1,0,1,0,0|0,0,2]=4 20186 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,1,0,1,0,0|0,0,2]=4 20187 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,1,0,1,0,0|0,0,2]=4 20188 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,1,0,1,0,0|0,0,2]=4 20189 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,1,0,1,0,0|0,0,2]=4 20190 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [0,1,0,1,0,0|2,0,0]=4 20191 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [0,1,0,1,0,0|2,0,0]=4 20192 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [0,1,0,1,0,0|2,0,0]=4 20193 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,1,0,1,0,0|1,0,0]=3 20194 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,1,0,1,0,0|2,0,0]=4 20195 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,1,0,1,0,0|1,0,0]=3 20196 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,1,0,1,0,0|1,0,0]=3 20197 B11R1.102 NC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100102525003 [0,1,0,1,0,0|2,0,0]=4 20198 B11R1.113 COCC1CCN1CC(=O)N 2230a_100015195929_100000747473 [0,1,0,1,0,0|2,0,0]=4 20199 B11R1.113 COCC1CCN1CC(=O)N 269982a_100015195929_100000187820 [0,1,0,1,0,0|2,0,0]=4 20200 B11R1.113 COCC1CCN1CC(=O)N 34a_100015195929_100000187820 [0,1,0,1,0,0|2,0,0]=4 20201 B11R1.113 COCC1CCN1CC(=O)[O-] 269982a_100015195929_100020667443 [0,1,0,1,0,0|2,0,0]=4 20202 B11R1.113 COCC1CCN1CC(=O)[O-] 34a_100015195929_100020667443 [0,1,0,1,0,0|2,0,0]=4 20203 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|0,0,1]=3 20204 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|1,0,0]=3 20205 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,1,0,0|1,0,1]=4 20206 B11R1.143 CC(C)C1CCCCCN1C 2230a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 20207 B11R1.143 CC(C)C1CCCCCN1C 269982a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 20208 B11R1.143 CC(C)C1CCCCCN1C 34a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 20209 B11R1.143 CC(C)C1CCCCCN1[13CH3] 2230a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 20210 B11R1.143 CC(C)C1CCCCCN1[13CH3] 269982a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 20211 B11R1.143 CC(C)C1CCCCCN1[13CH3] 34a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 20212 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,1,0,1,0,0|1,0,0]=3 20213 B11R1.143 CN(C)C1CCCCNC1=O 2230a_100102631434_100000735217 [0,1,0,1,0,0|2,0,0]=4 20214 B11R1.143 CN(C)C1CCCCNC1=O 269982a_100102631434_100000735217 [0,1,0,1,0,0|2,0,0]=4 20215 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|1,0,0]=3 20216 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|1,0,0]=3 20217 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|1,0,0]=3 20218 B11R1.161 C=C(C)CCOC1CCC1=O 34a_100000764851_100009892977 [0,1,0,1,0,0|1,0,1]=4 20219 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100000730704_100009892977 [0,1,0,1,0,0|1,0,1]=4 20220 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100009892977_100000730704 [0,1,0,1,0,0|1,0,1]=4 20221 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,1,0,1,0,0|1,0,0]=3 20222 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,1,0,1,0,0|1,0,0]=3 20223 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,1,0,1,0,0|1,0,1]=4 20224 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,1,0,1,0,0|1,0,1]=4 20225 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [0,1,0,1,0,0|1,0,1]=4 20226 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [0,1,0,1,0,0|1,0,1]=4 20227 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [0,1,0,1,0,0|2,0,0]=4 20228 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,1,0,1,0,0|2,0,0]=4 20229 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,1,0,1,0,0|2,0,0]=4 20230 B11R1.161 CC(Br)CCOC1CCC1=O 34a_100009893172_100009892977 [0,1,0,1,0,0|1,0,0]=3 20231 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,1,0,1,0,0|1,0,0]=3 20232 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,1,0,1,0,0|1,0,0]=3 20233 B11R1.161 CC(C)CCSC1CCC1=O 62a_100000210312_100009892977 [0,1,0,1,0,0|1,0,0]=3 20234 B11R1.161 CC(C)CCSC1CCC1=O 62a_100009892977_100000210312 [0,1,0,1,0,0|1,0,0]=3 20235 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,1,0,1,0,0|1,0,0]=3 20236 B11R1.161 CC(C)OCSC1CCC1=O 62a_100000709892_100009892977 [0,1,0,1,0,0|2,0,0]=4 20237 B11R1.161 CC(C)OCSC1CCC1=O 62a_100009892977_100000709892 [0,1,0,1,0,0|2,0,0]=4 20238 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [0,1,0,1,0,0|1,0,0]=3 20239 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [0,1,0,1,0,0|1,0,0]=3 20240 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,1,0,1,0,0|1,0,0]=3 20241 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,1,0,1,0,0|1,0,0]=3 20242 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [0,1,0,1,0,0|1,0,0]=3 20243 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [0,1,0,1,0,0|1,0,0]=3 20244 B11R1.161 CC1CCN1CCNC(=O)N 269982a_100000755817_200000034859 [0,1,0,1,0,0|2,0,0]=4 20245 B11R1.161 CC1CCN1CCOC(=O)N 269982a_100000755817_200011214921 [0,1,0,1,0,0|2,0,0]=4 20246 B11R1.161 CC1CCN1CCOC(=O)N 34a_100000755817_200011214921 [0,1,0,1,0,0|2,0,0]=4 20247 B11R1.161 CN(C)CCSC1CCC1=O 62a_100009892977_100000755713 [0,1,0,1,0,0|2,0,0]=4 20248 B11R1.161 C[C@@H](N)CCOC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|1,0,0]=3 20249 B11R1.161 O=C1CCC1OCCC(F)F 34a_100103093639_100009892977 [0,1,0,1,0,0|2,0,0]=4 20250 B11R1.172 C=C(Br)CCOC1CCCC1 34a_100009813270_100000179811 [0,1,0,1,0,0|2,0,0]=4 20251 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,1,0,1,0,0|2,0,0]=4 20252 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,1,0,1,0,0|2,0,0]=4 20253 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,1,0,1,0,0|2,0,0]=4 20254 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,1,0,1,0,0|2,0,0]=4 20255 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,1,0,1,0,0|2,0,0]=4 20256 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,1,0,1,0,0|2,0,0]=4 20257 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,1,0,1,0,0|2,0,0]=4 20258 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,1,0,1,0,0|2,0,0]=4 20259 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,1,0,1,0,0|2,0,0]=4 20260 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,1,0,1,0,0|2,0,0]=4 20261 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,1,0,1,0,0|2,0,0]=4 20262 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,1,0,1,0,0|2,0,0]=4 20263 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,1,0,1,0,0|2,0,0]=4 20264 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,1,0,1,0,0|2,0,0]=4 20265 B11R1.172 C=C(F)CNCC1CCCC1 2230a_100000737975_100009893438 [0,1,0,1,0,0|2,0,0]=4 20266 B11R1.172 C=C(F)CNCC1CCCC1 34a_100000737975_100009893438 [0,1,0,1,0,0|2,0,0]=4 20267 B11R1.172 C=C(F)COCC1CCCC1 34a_100000742336_100009893438 [0,1,0,1,0,0|2,0,0]=4 20268 B11R1.172 C=C(F)COCC1CCCC1 34a_200010262243_100000740388 [0,1,0,1,0,0|2,0,0]=4 20269 B11R1.172 C=C(F)COCC1CCCC1 7a_100000742336_100000042424 [0,1,0,1,0,0|2,0,0]=4 20270 B11R1.172 C=C(F)CSCC1CCCC1 62a_100000042424_100000740388 [0,1,0,1,0,0|2,0,0]=4 20271 B11R1.172 C=C(F)CSCC1CCCC1 62a_100000740388_100000042424 [0,1,0,1,0,0|2,0,0]=4 20272 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|0,0,0]=2 20273 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,1,0,1,0,0|2,0,0]=4 20274 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,1,0,1,0,0|1,0,0]=3 20275 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,1,0,1,0,0|1,0,0]=3 20276 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,1,0,1,0,0|1,0,0]=3 20277 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [0,1,0,1,0,0|2,0,0]=4 20278 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,1,0,1,0,0|1,0,0]=3 20279 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,1,0,1,0,0|1,0,0]=3 20280 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,1,0,1,0,0|1,0,0]=3 20281 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,1,0,1,0,0|2,0,0]=4 20282 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,1,0,1,0,0|2,0,0]=4 20283 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,1,0,1,0,0|2,0,0]=4 20284 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,1,0,1,0,0|1,0,0]=3 20285 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,1,0,1,0,0|1,0,0]=3 20286 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,1,0,1,0,0|2,0,0]=4 20287 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|1,0,0]=3 20288 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,1,0,1,0,0|2,0,0]=4 20289 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,1,0,1,0,0|2,0,0]=4 20290 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,1,0,1,0,0|2,0,0]=4 20291 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,1,0,1,0,0|1,0,0]=3 20292 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,1,0,1,0,0|1,0,0]=3 20293 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,1,0,1,0,0|1,0,0]=3 20294 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,1,0,1,0,0|1,0,0]=3 20295 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,1,0,1,0,0|2,0,0]=4 20296 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,1,0,1,0,0|2,0,0]=4 20297 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,1,0,1,0,0|2,0,0]=4 20298 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,1,0,1,0,0|2,0,0]=4 20299 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,1,0,1,0,0|2,0,0]=4 20300 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,1,0,1,0,0|2,0,0]=4 20301 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,1,0,1,0,0|2,0,0]=4 20302 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,1,0,1,0,0|2,0,0]=4 20303 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 20304 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 20305 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 20306 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 20307 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 20308 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 20309 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 20310 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 20311 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,1,0,1,0,0|1,0,0]=3 20312 B11R1.172 NC(=O)CCCN1CCSC1 269982a_100011215254_100102525003 [0,1,0,1,0,0|2,0,0]=4 20313 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,1,0,1,0,0|1,0,0]=3 20314 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,1,0,1,0,0|1,0,0]=3 20315 B11R1.172 NC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000744528 [0,1,0,1,0,0|2,0,0]=4 20316 B11R1.172 NC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000744528 [0,1,0,1,0,0|2,0,0]=4 20317 B11R1.172 NC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000731001 [0,1,0,1,0,0|2,0,0]=4 20318 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,1,0,1,0,0|1,0,0]=3 20319 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,1,0,1,0,0|1,0,0]=3 20320 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,1,0,1,0,0|1,0,0]=3 20321 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,1,0,1,0,0|1,0,0]=3 20322 B11R1.172 NC(=O)CCOC1CCCO1 34a_100000085407_100000731001 [0,1,0,1,0,0|2,0,0]=4 20323 B11R1.172 NC(=O)CCOC1CCOC1 34a_100000757172_100000690089 [0,1,0,1,0,0|2,0,0]=4 20324 B11R1.172 NC(=O)CCOC1CCOC1 7a_100000757172_100000731011 [0,1,0,1,0,0|2,0,0]=4 20325 B11R1.172 NC(=O)CCOC1CCSC1 7a_100011232664_100000744528 [0,1,0,1,0,0|2,0,0]=4 20326 B11R1.172 NC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000731001 [0,1,0,1,0,0|2,0,0]=4 20327 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,1,0,1,0,0|1,0,0]=3 20328 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,1,0,1,0,0|1,0,0]=3 20329 B11R1.172 NC(=O)CCSC1CCOC1 62a_100000744528_100000690089 [0,1,0,1,0,0|2,0,0]=4 20330 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,1,0,1,0,0|1,0,0]=3 20331 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,1,0,1,0,0|1,0,0]=3 20332 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,1,0,1,0,0|1,0,0]=3 20333 B11R1.172 NC(=O)CNCC1CCCO1 2230a_100000711301_100000203698 [0,1,0,1,0,0|2,0,0]=4 20334 B11R1.172 NC(=O)CNCC1CCOC1 2230a_100000711301_100000702531 [0,1,0,1,0,0|2,0,0]=4 20335 B11R1.172 NC(=O)CNCC1CCOC1 2230a_100000737293_100000747473 [0,1,0,1,0,0|2,0,0]=4 20336 B11R1.172 NC(=O)CNCC1CCOC1 34a_100000737293_100000187820 [0,1,0,1,0,0|2,0,0]=4 20337 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747473 [0,1,0,1,0,0|2,0,0]=4 20338 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000187820 [0,1,0,1,0,0|2,0,0]=4 20339 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,1,0,1,0,0|1,0,0]=3 20340 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,1,0,1,0,0|1,0,0]=3 20341 B11R1.172 NC(=O)COCC1CCCO1 34a_100000210270_100000187820 [0,1,0,1,0,0|2,0,0]=4 20342 B11R1.172 NC(=O)COCC1CCCO1 7a_100000210270_100000187820 [0,1,0,1,0,0|2,0,0]=4 20343 B11R1.172 NC(=O)COCC1CCNC1 34a_100000748654_100000187820 [0,1,0,1,0,0|2,0,0]=4 20344 B11R1.172 NC(=O)COCC1CCOC1 34a_100000740260_100000187820 [0,1,0,1,0,0|2,0,0]=4 20345 B11R1.172 NC(=O)COC[C@H]1CCCN1 34a_100000745186_100000187820 [0,1,0,1,0,0|2,0,0]=4 20346 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,1,0,1,0,0|1,0,0]=3 20347 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,1,0,1,0,0|1,0,0]=3 20348 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000203698_100000747473 [0,1,0,1,0,0|2,0,0]=4 20349 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000747473_100000203698 [0,1,0,1,0,0|2,0,0]=4 20350 B11R1.172 NC(=O)CSCC1CCOC1 62a_100000702531_100000747473 [0,1,0,1,0,0|2,0,0]=4 20351 B11R1.172 NC(=O)CSCC1CCOC1 62a_100000747473_100000702531 [0,1,0,1,0,0|2,0,0]=4 20352 B11R1.172 NC(=O)NCCN1CCCC1 2230a_100000188435_200000034859 [0,1,0,1,0,0|2,0,0]=4 20353 B11R1.172 NC(=O)NCCN1CCCC1 269982a_100000188435_200000034859 [0,1,0,1,0,0|2,0,0]=4 20354 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,1,0,1,0,0|2,0,0]=4 20355 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,1,0,1,0,0|1,0,0]=3 20356 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,1,0,1,0,0|2,0,0]=4 20357 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [0,1,0,1,0,0|2,0,0]=4 20358 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [0,1,0,1,0,0|2,0,0]=4 20359 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,1,0,1,0,0|1,0,0]=3 20360 B11R1.172 O=C([O-])CNCC1CCOC1 34a_100000737293_100020667443 [0,1,0,1,0,0|2,0,0]=4 20361 B11R1.172 O=C([O-])CNC[C@@H]1CCCO1 34a_100020590478_100020667443 [0,1,0,1,0,0|2,0,0]=4 20362 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,1,0,1,0,0|1,0,0]=3 20363 B11R1.172 O=C([O-])COCC1CCCO1 34a_100000210270_100020667443 [0,1,0,1,0,0|2,0,0]=4 20364 B11R1.172 O=C([O-])COCC1CCNC1 34a_100000748654_100020667443 [0,1,0,1,0,0|2,0,0]=4 20365 B11R1.172 O=C([O-])COCC1CCOC1 34a_100000740260_100020667443 [0,1,0,1,0,0|2,0,0]=4 20366 B11R1.172 O=C([O-])COC[C@H]1CCCN1 34a_100000745186_100020667443 [0,1,0,1,0,0|2,0,0]=4 20367 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,1,0,1,0,0|1,0,0]=3 20368 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,1,0,1,0,0|1,0,0]=3 20369 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100000203698_100020667443 [0,1,0,1,0,0|2,0,0]=4 20370 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100020667443_100000203698 [0,1,0,1,0,0|2,0,0]=4 20371 B11R1.172 O=C([O-])CSCC1CCOC1 62a_100000702531_100020667443 [0,1,0,1,0,0|2,0,0]=4 20372 B11R1.172 O=C([O-])CSCC1CCOC1 62a_100020667443_100000702531 [0,1,0,1,0,0|2,0,0]=4 20373 B11R1.172 O=[N+]([O-])CNCC1CCCC1 34a_100000737975_100000761209 [0,1,0,1,0,0|2,0,0]=4 20374 B11R1.172 O=[N+]([O-])COCC1CCCC1 34a_100000742336_100000761209 [0,1,0,1,0,0|2,0,0]=4 20375 B11R1.172 O=[N+]([O-])CSCC1CCCC1 62a_100000740388_100000761209 [0,1,0,1,0,0|2,0,0]=4 20376 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,1,0,1,0,0|1,0,0]=3 20377 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,1,0,1,0,0|2,0,0]=4 20378 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,1,0,1,0,0|2,0,0]=4 20379 B11R1.174 C=C(Br)CCOCC1CCC1 34a_100009813270_100000763275 [0,1,0,1,0,0|2,0,0]=4 20380 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [0,1,0,1,0,0|2,0,0]=4 20381 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [0,1,0,1,0,0|2,0,0]=4 20382 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [0,1,0,1,0,0|2,0,0]=4 20383 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [0,1,0,1,0,0|2,0,0]=4 20384 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [0,1,0,1,0,0|2,0,0]=4 20385 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [0,1,0,1,0,0|2,0,0]=4 20386 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,1,0,1,0,0|1,0,0]=3 20387 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,1,0,1,0,0|1,0,0]=3 20388 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,1,0,1,0,0|1,0,0]=3 20389 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,1,0,1,0,0|1,0,0]=3 20390 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [0,1,0,1,0,0|2,0,0]=4 20391 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [0,1,0,1,0,0|2,0,0]=4 20392 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [0,1,0,1,0,0|2,0,0]=4 20393 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,1,0,1,0,0|1,0,0]=3 20394 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [0,1,0,1,0,0|2,0,0]=4 20395 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,1,0,1,0,0|1,0,0]=3 20396 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,1,0,1,0,0|1,0,0]=3 20397 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,1,0,1,0,0|2,0,0]=4 20398 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,1,0,1,0,0|2,0,0]=4 20399 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [0,1,0,1,0,0|2,0,0]=4 20400 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [0,1,0,1,0,0|2,0,0]=4 20401 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,1,0,1,0,0|1,0,0]=3 20402 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,1,0,1,0,0|1,0,0]=3 20403 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [0,1,0,1,0,0|2,0,0]=4 20404 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [0,1,0,1,0,0|2,0,0]=4 20405 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [0,1,0,1,0,0|2,0,0]=4 20406 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [0,1,0,1,0,0|2,0,0]=4 20407 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [0,1,0,1,0,0|2,0,0]=4 20408 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,1,0,1,0,0|2,0,0]=4 20409 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [0,1,0,1,0,0|2,0,0]=4 20410 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,1,0,1,0,0|2,0,0]=4 20411 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,1,0,1,0,0|2,0,0]=4 20412 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,1,0,1,0,0|2,0,0]=4 20413 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,1,0,1,0,0|2,0,0]=4 20414 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,1,0,1,0,0|2,0,0]=4 20415 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,1,0,1,0,0|2,0,0]=4 20416 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,1,0,1,0,0|2,0,0]=4 20417 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,1,0,1,0,0|2,0,0]=4 20418 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [0,1,0,1,0,0|2,0,0]=4 20419 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [0,1,0,1,0,0|2,0,0]=4 20420 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [0,1,0,1,0,0|1,0,0]=3 20421 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [0,1,0,1,0,0|1,0,0]=3 20422 B11R1.174 NC(=O)CCCNC1COC1 34a_100000739312_100009818527 [0,1,0,1,0,0|2,0,0]=4 20423 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,1,0,1,0,0|1,0,0]=3 20424 B11R1.174 NC(=O)CCCOC1CSC1 7a_100000072292_100102525003 [0,1,0,1,0,0|2,0,0]=4 20425 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [0,1,0,1,0,0|1,0,0]=3 20426 B11R1.174 NC(=O)CCCSC1COC1 62a_100102525003_100009818527 [0,1,0,1,0,0|2,0,0]=4 20427 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [0,1,0,1,0,0|1,0,0]=3 20428 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [0,1,0,1,0,0|1,0,0]=3 20429 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [0,1,0,1,0,0|1,0,0]=3 20430 B11R1.174 NC(=O)CCNCC1COC1 2230a_100015281925_100000744528 [0,1,0,1,0,0|2,0,0]=4 20431 B11R1.174 NC(=O)CCNCC1COC1 34a_100015281925_100000731001 [0,1,0,1,0,0|2,0,0]=4 20432 B11R1.174 NC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000744528 [0,1,0,1,0,0|2,0,0]=4 20433 B11R1.174 NC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000731001 [0,1,0,1,0,0|2,0,0]=4 20434 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,1,0,1,0,0|1,0,0]=3 20435 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,1,0,1,0,0|1,0,0]=3 20436 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,1,0,1,0,0|1,0,0]=3 20437 B11R1.174 NC(=O)CCOCC1CCO1 34a_100000039022_100000731001 [0,1,0,1,0,0|2,0,0]=4 20438 B11R1.174 NC(=O)CCOCC1CCO1 34a_100000757172_100000103362 [0,1,0,1,0,0|2,0,0]=4 20439 B11R1.174 NC(=O)CCOCC1CCO1 7a_100000757172_100000103362 [0,1,0,1,0,0|2,0,0]=4 20440 B11R1.174 NC(=O)CCOCC1CNC1 34a_100016987283_100000731001 [0,1,0,1,0,0|2,0,0]=4 20441 B11R1.174 NC(=O)CCOCC1COC1 34a_100000060846_100000731001 [0,1,0,1,0,0|2,0,0]=4 20442 B11R1.174 NC(=O)CCOCC1COC1 34a_100000757172_100010264016 [0,1,0,1,0,0|2,0,0]=4 20443 B11R1.174 NC(=O)CCOCC1COC1 7a_100000757172_100010264016 [0,1,0,1,0,0|2,0,0]=4 20444 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [0,1,0,1,0,0|1,0,0]=3 20445 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [0,1,0,1,0,0|1,0,0]=3 20446 B11R1.174 NC(=O)CCSCC1CCO1 62a_100000103362_100000744528 [0,1,0,1,0,0|2,0,0]=4 20447 B11R1.174 NC(=O)CCSCC1CCO1 62a_100000744528_100000103362 [0,1,0,1,0,0|2,0,0]=4 20448 B11R1.174 NC(=O)CCSCC1COC1 62a_100000744528_100010264016 [0,1,0,1,0,0|2,0,0]=4 20449 B11R1.174 NC(=O)CCSCC1COC1 62a_100010264016_100000744528 [0,1,0,1,0,0|2,0,0]=4 20450 B11R1.174 NC(=O)COCCC1COC1 34a_100009855314_100000187820 [0,1,0,1,0,0|2,0,0]=4 20451 B11R1.174 NC(=O)COCCN1CCC1 269982a_100000754969_100000076697 [0,1,0,1,0,0|2,0,0]=4 20452 B11R1.174 NC(=O)NCCNC1CCC1 2230a_100000749019_200000034859 [0,1,0,1,0,0|2,0,0]=4 20453 B11R1.174 NC(=O)NCCNC1CCC1 34a_100020590234_100000749161 [0,1,0,1,0,0|2,0,0]=4 20454 B11R1.174 NC(=O)NCCOC1CCC1 34a_100000181757_100000749161 [0,1,0,1,0,0|2,0,0]=4 20455 B11R1.174 NC(=O)NCCSC1CCC1 62a_200000034859_100000749161 [0,1,0,1,0,0|2,0,0]=4 20456 B11R1.174 NC(=O)OCCNC1CCC1 34a_100000749019_200011214921 [0,1,0,1,0,0|2,0,0]=4 20457 B11R1.174 NC(=O)OCCOC1CCC1 34a_100000748187_200011214921 [0,1,0,1,0,0|2,0,0]=4 20458 B11R1.174 NC(=O)OCCSC1CCC1 62a_200011214921_100000749161 [0,1,0,1,0,0|2,0,0]=4 20459 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [0,1,0,1,0,0|2,0,0]=4 20460 B11R1.174 O=C([O-])COCCC1COC1 34a_100009855314_100020667443 [0,1,0,1,0,0|2,0,0]=4 20461 B11R1.174 O=[N+]([O-])CCCOC1CCC1 34a_200000037920_100000749161 [0,1,0,1,0,0|2,0,0]=4 20462 B11R1.176 C=C(Br)CCOCCC1CC1 34a_100009813270_100000694398 [0,1,0,1,0,0|2,0,0]=4 20463 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [0,1,0,1,0,0|2,0,0]=4 20464 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [0,1,0,1,0,0|2,0,0]=4 20465 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [0,1,0,1,0,0|2,0,0]=4 20466 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [0,1,0,1,0,0|2,0,0]=4 20467 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [0,1,0,1,0,0|2,0,0]=4 20468 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [0,1,0,1,0,0|2,0,0]=4 20469 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,1,0,1,0,0|1,0,0]=3 20470 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,1,0,1,0,0|1,0,0]=3 20471 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,1,0,1,0,0|1,0,0]=3 20472 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,1,0,1,0,0|1,0,0]=3 20473 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,1,0,1,0,0|1,0,0]=3 20474 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,1,0,1,0,0|1,0,0]=3 20475 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,1,0,1,0,0|2,0,0]=4 20476 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,1,0,1,0,0|2,0,0]=4 20477 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [0,1,0,1,0,0|2,0,0]=4 20478 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,1,0,1,0,0|2,0,0]=4 20479 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,1,0,1,0,0|2,0,0]=4 20480 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,1,0,1,0,0|1,0,0]=3 20481 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,1,0,1,0,0|1,0,0]=3 20482 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,1,0,1,0,0|2,0,0]=4 20483 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,1,0,1,0,0|2,0,0]=4 20484 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [0,1,0,1,0,0|2,0,0]=4 20485 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [0,1,0,1,0,0|2,0,0]=4 20486 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,1,0,1,0,0|2,0,0]=4 20487 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,1,0,1,0,0|2,0,0]=4 20488 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,1,0,1,0,0|1,0,0]=3 20489 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,1,0,1,0,0|1,0,0]=3 20490 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,1,0,1,0,0|1,0,0]=3 20491 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,1,0,1,0,0|2,0,0]=4 20492 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,1,0,1,0,0|2,0,0]=4 20493 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,1,0,1,0,0|1,0,0]=3 20494 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,1,0,1,0,0|1,0,0]=3 20495 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,1,0,1,0,0|2,0,0]=4 20496 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,1,0,1,0,0|2,0,0]=4 20497 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,1,0,1,0,0|2,0,0]=4 20498 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [0,1,0,1,0,0|2,0,0]=4 20499 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [0,1,0,1,0,0|2,0,0]=4 20500 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [0,1,0,1,0,0|2,0,0]=4 20501 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [0,1,0,1,0,0|2,0,0]=4 20502 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [0,1,0,1,0,0|2,0,0]=4 20503 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,1,0,1,0,0|2,0,0]=4 20504 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [0,1,0,1,0,0|2,0,0]=4 20505 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [0,1,0,1,0,0|2,0,0]=4 20506 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,1,0,1,0,0|2,0,0]=4 20507 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,1,0,1,0,0|2,0,0]=4 20508 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,1,0,1,0,0|2,0,0]=4 20509 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,1,0,1,0,0|2,0,0]=4 20510 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,1,0,1,0,0|2,0,0]=4 20511 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,1,0,1,0,0|2,0,0]=4 20512 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,1,0,1,0,0|2,0,0]=4 20513 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,1,0,1,0,0|2,0,0]=4 20514 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,1,0,1,0,0|2,0,0]=4 20515 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,1,0,1,0,0|2,0,0]=4 20516 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [0,1,0,1,0,0|2,0,0]=4 20517 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [0,1,0,1,0,0|2,0,0]=4 20518 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [0,1,0,1,0,0|2,0,0]=4 20519 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [0,1,0,1,0,0|2,0,0]=4 20520 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,1,0,1,0,0|1,0,0]=3 20521 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,1,0,1,0,0|1,0,0]=3 20522 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [0,1,0,1,0,0|1,0,0]=3 20523 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [0,1,0,1,0,0|1,0,0]=3 20524 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [0,1,0,1,0,0|1,0,0]=3 20525 B11R1.176 NC(=O)CCCNCC1CO1 34a_100000739312_102125554688 [0,1,0,1,0,0|2,0,0]=4 20526 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,1,0,1,0,0|1,0,0]=3 20527 B11R1.176 NC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100102525003 [0,1,0,1,0,0|2,0,0]=4 20528 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [0,1,0,1,0,0|1,0,0]=3 20529 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [0,1,0,1,0,0|1,0,0]=3 20530 B11R1.176 NC(=O)CCCSCC1CO1 62a_100102525003_102125554688 [0,1,0,1,0,0|2,0,0]=4 20531 B11R1.176 NC(=O)CCCSCC1CO1 62a_102125554688_100102525003 [0,1,0,1,0,0|2,0,0]=4 20532 B11R1.176 NC(=O)CCCSCC1CS1 62a_100000031435_100102525003 [0,1,0,1,0,0|2,0,0]=4 20533 B11R1.176 NC(=O)CCCSCC1CS1 62a_100102525003_100000031435 [0,1,0,1,0,0|2,0,0]=4 20534 B11R1.176 NC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100102525003 [0,1,0,1,0,0|2,0,0]=4 20535 B11R1.176 NC(=O)CCCSC[C@@H]1CO1 62a_100102525003_100000745022 [0,1,0,1,0,0|2,0,0]=4 20536 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [0,1,0,1,0,0|1,0,0]=3 20537 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,1,0,1,0,0|1,0,0]=3 20538 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,1,0,1,0,0|1,0,0]=3 20539 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,1,0,1,0,0|1,0,0]=3 20540 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,1,0,1,0,0|1,0,0]=3 20541 B11R1.176 NC(=O)CCOCCC1CO1 34a_100000757172_100000732470 [0,1,0,1,0,0|2,0,0]=4 20542 B11R1.176 NC(=O)CCOCCC1CO1 7a_100000757172_100000732470 [0,1,0,1,0,0|2,0,0]=4 20543 B11R1.176 NC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000731001 [0,1,0,1,0,0|2,0,0]=4 20544 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [0,1,0,1,0,0|1,0,0]=3 20545 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [0,1,0,1,0,0|1,0,0]=3 20546 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000732470_100000744528 [0,1,0,1,0,0|2,0,0]=4 20547 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000744528_100000732470 [0,1,0,1,0,0|2,0,0]=4 20548 B11R1.176 NC(=O)CNCCCC1CO1 2230a_100000711301_100000733510 [0,1,0,1,0,0|2,0,0]=4 20549 B11R1.176 NC(=O)COCCNC1CC1 34a_100000212008_100000076697 [0,1,0,1,0,0|2,0,0]=4 20550 B11R1.176 NC(=O)COCCNC1CC1 34a_100000738766_100000187820 [0,1,0,1,0,0|2,0,0]=4 20551 B11R1.176 NC(=O)COCCSC1CC1 62a_100000076697_100000211595 [0,1,0,1,0,0|2,0,0]=4 20552 B11R1.176 NC(=O)CSCCCC1CO1 62a_100000733510_100000747473 [0,1,0,1,0,0|2,0,0]=4 20553 B11R1.176 NC(=O)CSCCCC1CO1 62a_100000747473_100000733510 [0,1,0,1,0,0|2,0,0]=4 20554 B11R1.176 NC(=O)NCCNCC1CC1 2230a_100000735609_200000034859 [0,1,0,1,0,0|2,0,0]=4 20555 B11R1.176 NC(=O)NCCNCC1CC1 269862a_100020590234_100000741477 [0,1,0,1,0,0|2,0,0]=4 20556 B11R1.176 NC(=O)NCCNCC1CC1 34a_100020590234_100000742324 [0,1,0,1,0,0|2,0,0]=4 20557 B11R1.176 NC(=O)NCCOCC1CC1 34a_100000181757_100000742324 [0,1,0,1,0,0|2,0,0]=4 20558 B11R1.176 NC(=O)NCCSCC1CC1 62a_100000756562_200000034859 [0,1,0,1,0,0|2,0,0]=4 20559 B11R1.176 NC(=O)NCCSCC1CC1 62a_200000034859_100000742324 [0,1,0,1,0,0|2,0,0]=4 20560 B11R1.176 NC(=O)OCCNCC1CC1 34a_100000735609_200011214921 [0,1,0,1,0,0|2,0,0]=4 20561 B11R1.176 NC(=O)OCCOCC1CC1 34a_100000211283_200011214921 [0,1,0,1,0,0|2,0,0]=4 20562 B11R1.176 NC(=O)OCCOCC1CC1 7a_100000766696_100000742324 [0,1,0,1,0,0|2,0,0]=4 20563 B11R1.176 NC(=O)OCCSCC1CC1 62a_100000756562_200011214921 [0,1,0,1,0,0|2,0,0]=4 20564 B11R1.176 NC(=O)OCCSCC1CC1 62a_200011214921_100000742324 [0,1,0,1,0,0|2,0,0]=4 20565 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,1,0,1,0,0|2,0,0]=4 20566 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [0,1,0,1,0,0|2,0,0]=4 20567 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [0,1,0,1,0,0|2,0,0]=4 20568 B11R1.176 O=C([O-])COCCNC1CC1 34a_100000738766_100020667443 [0,1,0,1,0,0|2,0,0]=4 20569 B11R1.176 O=C([O-])CSCCCC1CO1 62a_100000733510_100020667443 [0,1,0,1,0,0|2,0,0]=4 20570 B11R1.176 O=C([O-])CSCCCC1CO1 62a_100020667443_100000733510 [0,1,0,1,0,0|2,0,0]=4 20571 B11R1.176 O=[N+]([O-])CCCCOC1CC1 34a_200015379883_100000211595 [0,1,0,1,0,0|2,0,0]=4 20572 B11R1.176 O=[N+]([O-])CCCOCC1CC1 34a_200000037920_100000742324 [0,1,0,1,0,0|2,0,0]=4 20573 B11R1.191 CC1(COCCN1CC=O)C 2230a_100000724681_200015260668 [0,1,0,1,0,0|2,0,0]=4 20574 B11R1.191 CC1(COCCN1CC=O)C 269982a_100000724681_200015260668 [0,1,0,1,0,0|2,0,0]=4 20575 B11R1.191 CC1(COCCN1CC=O)C 34a_100000724681_200009817547 [0,1,0,1,0,0|2,0,0]=4 20576 B11R1.193 C=CCN1CCCC1C(C)C 2230a_100000762757_100000210623 [0,1,0,1,0,0|2,0,0]=4 20577 B11R1.193 C=CCN1CCCC1C(C)C 269982a_100000762757_100000210623 [0,1,0,1,0,0|2,0,0]=4 20578 B11R1.193 C=CCN1CCCC1C(C)C 34a_100000762757_100015514636 [0,1,0,1,0,0|2,0,0]=4 20579 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,1,0,1,0,0|2,0,0]=4 20580 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,1,0,1,0,0|2,0,0]=4 20581 B11R1.193 CC(C)C1CCCN1CC=O 2230a_100000762757_200015260668 [0,1,0,1,0,0|1,0,0]=3 20582 B11R1.193 CC(C)C1CCCN1CC=O 269982a_100000762757_200015260668 [0,1,0,1,0,0|1,0,0]=3 20583 B11R1.193 CC(C)C1CCCN1CC=O 34a_100000762757_200009817547 [0,1,0,1,0,0|1,0,0]=3 20584 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,1,0,1,0,0|2,0,0]=4 20585 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,1,0,1,0,0|1,0,0]=3 20586 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|1,0,0]=3 20587 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,1,0,1,0,0|2,0,0]=4 20588 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,1,0,1,0,0|2,0,0]=4 20589 B11R1.193 COCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000766300 [0,1,0,1,0,0|2,0,0]=4 20590 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,1,0,1,0,0|2,0,0]=4 20591 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,1,0,1,0,0|2,0,0]=4 20592 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,1,0,1,0,0|2,0,0]=4 20593 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,1,0,1,0,0|2,0,0]=4 20594 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [0,1,0,1,0,0|2,0,0]=4 20595 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [0,1,0,1,0,0|2,0,0]=4 20596 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,1,0,1,0,0|2,0,0]=4 20597 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,1,0,1,0,0|2,0,0]=4 20598 B11R1.193 CSCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218213 [0,1,0,1,0,0|2,0,0]=4 20599 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,1,0,1,0,0|2,0,0]=4 20600 B11R1.193 NC(=O)[C@@H]1CCCN1CCF 2230a_100000003125_100011217306 [0,1,0,1,0,0|2,0,0]=4 20601 B11R1.193 NC(=O)[C@@H]1CCCN1CCO 2230a_100000003125_100000211926 [0,1,0,1,0,0|2,0,0]=4 20602 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,1,0,1,0,0|2,0,0]=4 20603 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,1,0,1,0,0|2,0,0]=4 20604 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [0,1,0,1,0,0|2,0,0]=4 20605 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [0,1,0,1,0,0|2,0,0]=4 20606 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|1,0,0]=3 20607 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,1,0,1,0,0|2,0,0]=4 20608 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,1,0,1,0,0|2,0,0]=4 20609 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,1,0,1,0,0|2,0,0]=4 20610 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,1,0,1,0,0|2,0,0]=4 20611 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,1,0,1,0,0|2,0,0]=4 20612 B11R1.233 C=CCCN1CCCC1(C)C 2230a_100000761399_100000754431 [0,1,0,1,0,0|2,0,0]=4 20613 B11R1.233 C=CCCN1CCCC1(C)C 269982a_100000761399_100000754431 [0,1,0,1,0,0|2,0,0]=4 20614 B11R1.233 C=CCCN1CCCC1(C)C 34a_100000761399_100000754431 [0,1,0,1,0,0|2,0,0]=4 20615 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210623 [0,1,0,1,0,0|2,0,0]=4 20616 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100015514636 [0,1,0,1,0,0|2,0,0]=4 20617 B11R1.233 C=CCOC1CCCC1(C)C 34a_100000726220_100015514636 [0,1,0,1,0,0|2,0,0]=4 20618 B11R1.233 C=CCOC1CCCC1(C)C 7a_100000726220_100015514636 [0,1,0,1,0,0|2,0,0]=4 20619 B11R1.233 CC1(CCCC1OCC=O)C 34a_100000726220_200009817547 [0,1,0,1,0,0|1,0,0]=3 20620 B11R1.233 CC1(CCCC1OCC=O)C 7a_100000726220_200015260668 [0,1,0,1,0,0|1,0,0]=3 20621 B11R1.233 C[C@]1(CCC[C@H]1NCC=O)O 2230a_100015977457_200015260668 [0,1,0,1,0,0|1,0,0]=3 20622 B11R1.233 C[C@]1(CCC[C@H]1NCC=O)O 34a_100015977457_200009817547 [0,1,0,1,0,0|1,0,0]=3 20623 B11R1.233 O=CCNC1CCCC1(F)F 2230a_100000767123_200015260668 [0,1,0,1,0,0|2,0,0]=4 20624 B11R1.233 O=CCNC1CCCC1(F)F 34a_100000767123_200009817547 [0,1,0,1,0,0|2,0,0]=4 20625 B11R1.233 O=CCSC1CCCC1(F)F 62a_100119073726_200015260668 [0,1,0,1,0,0|2,0,0]=4 20626 B11R1.233 O=CCSC1CCCC1(F)F 62a_200015260668_100119073726 [0,1,0,1,0,0|2,0,0]=4 20627 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|0,0,2]=4 20628 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|1,0,0]=3 20629 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|1,0,0]=3 20630 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|1,0,0]=3 20631 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|1,0,0]=3 20632 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,1,0,1,0,0|2,0,0]=4 20633 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [0,1,0,1,0,0|2,0,0]=4 20634 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [0,1,0,1,0,0|2,0,0]=4 20635 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [0,1,0,1,0,0|2,0,0]=4 20636 B11R1.742 C=C(F)CN1CCCCCC1 2230a_100000185865_100009893438 [0,1,0,1,0,0|2,0,0]=4 20637 B11R1.742 C=C(F)CN1CCCCCC1 269982a_100000185865_100009893438 [0,1,0,1,0,0|2,0,0]=4 20638 B11R1.742 C=C(F)CN1CCCCCC1 34a_100000185865_100009893438 [0,1,0,1,0,0|2,0,0]=4 20639 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,1,0,0|0,0,2]=4 20640 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|0,0,0]=2 20641 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|0,0,0]=2 20642 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,1,0,0|1,0,0]=3 20643 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,1,0,0|1,0,0]=3 20644 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,1,0,0|1,0,0]=3 20645 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,1,0,0|1,0,0]=3 20646 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,1,0,0|1,0,0]=3 20647 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 20648 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 20649 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,1,0,1,0,0|1,0,0]=3 20650 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,1,0,1,0,0|1,0,0]=3 20651 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,1,0,1,0,0|1,0,0]=3 20652 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,1,0,1,0,0|2,0,0]=4 20653 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,1,0,1,0,0|2,0,0]=4 20654 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,1,0,1,0,0|2,0,0]=4 20655 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,1,0,1,0,0|1,0,0]=3 20656 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,1,0,1,0,0|1,0,0]=3 20657 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,1,0,1,0,0|2,0,0]=4 20658 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,1,0,1,0,0|2,0,0]=4 20659 B11R1.742 O=[N+]([O-])CN1CCCCCC1 269982a_100000185865_100000761209 [0,1,0,1,0,0|2,0,0]=4 20660 B11R1.742 O=[N+]([O-])CN1CCCCCC1 34a_100000185865_100000761209 [0,1,0,1,0,0|2,0,0]=4 20661 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,1,0,0|0,0,2]=4 20662 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|0,0,0]=2 20663 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,1,0,0|1,0,0]=3 20664 B11R1.898 C=CCCOCC1CC1(C)C 34a_100000728257_100000754431 [0,1,0,1,0,0|2,0,0]=4 20665 B11R1.898 C=CCCOCC1CC1(C)C 7a_100000728257_100000754431 [0,1,0,1,0,0|2,0,0]=4 20666 B11R1.898 O=CCCCNC1CC1(F)F 2230a_100020610826_200011292268 [0,1,0,1,0,0|2,0,0]=4 20667 B11R1.898 O=CCOCCC1CC1(F)F 34a_100009864177_200009817547 [0,1,0,1,0,0|2,0,0]=4 20668 B11R1.898 O=CCOCCC1CC1(F)F 7a_100009864177_200015260668 [0,1,0,1,0,0|2,0,0]=4 20669 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|1,0,0]=3 20670 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|1,0,0]=3 20671 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|1,0,0]=3 20672 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|0,0,0]=2 20673 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|0,0,0]=2 20674 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|1,0,0]=3 20675 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|1,0,0]=3 20676 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,1,0,1,0,0|1,0,0]=3 20677 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,1,0,1,0,0|1,0,0]=3 20678 B11R1.5 O=C1NCCCCC1NCF 34a_100000698827_100015361967 [0,1,0,1,0,0|2,0,0]=4 20679 B11R1.5 O=C1NCCCCC1SCF 62a_100000735217_100015361967 [0,1,0,1,0,0|2,0,0]=4 20680 B11R1.5 O=C1NCCCCC1SCF 62a_100015361967_100000735217 [0,1,0,1,0,0|2,0,0]=4 20681 B11R1.17 C#CCCN1CCCCC1C 2230a_100000211376_100000688953 [0,1,0,1,0,0|1,0,1]=4 20682 B11R1.17 C#CCCN1CCCCC1C 269982a_100000211376_100000730999 [0,1,0,1,0,0|1,0,1]=4 20683 B11R1.17 C#CCCN1CCCCC1C 34a_100000211376_100000688953 [0,1,0,1,0,0|1,0,1]=4 20684 B11R1.17 C#CCNC1CCCCC1=O 34a_100000212058_100000754470 [0,1,0,1,0,0|0,0,2]=4 20685 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [0,1,0,1,0,0|1,0,1]=4 20686 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [0,1,0,1,0,0|1,0,1]=4 20687 B11R1.17 C#CCOC1CCCCC1=O 34a_100000210247_100000754470 [0,1,0,1,0,0|0,0,2]=4 20688 B11R1.17 C#CCOC1CCCCC1=O 34a_100011214950_100000184674 [0,1,0,1,0,0|0,0,2]=4 20689 B11R1.17 C#CCOC1CCCCC1C 34a_100000211207_100000184674 [0,1,0,1,0,0|1,0,1]=4 20690 B11R1.17 C#CCOC1CCCCC1C 7a_100000211207_100000038162 [0,1,0,1,0,0|1,0,1]=4 20691 B11R1.17 C#CCSC1CCCCC1=O 62a_100000038162_100000204591 [0,1,0,1,0,0|0,0,2]=4 20692 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [0,1,0,1,0,0|1,0,1]=4 20693 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [0,1,0,1,0,0|1,0,1]=4 20694 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [0,1,0,1,0,0|1,0,0]=3 20695 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [0,1,0,1,0,0|1,0,0]=3 20696 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [0,1,0,1,0,0|1,0,0]=3 20697 B11R1.17 C=CCCN1CCOC[C@@H]1C 2230a_100009815349_100000754431 [0,1,0,1,0,0|2,0,0]=4 20698 B11R1.17 C=CCCN1CCOC[C@@H]1C 269982a_100009815349_100000754431 [0,1,0,1,0,0|2,0,0]=4 20699 B11R1.17 C=CCCN1CCOC[C@@H]1C 34a_100009815349_100000754431 [0,1,0,1,0,0|2,0,0]=4 20700 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,1,0,1,0,0|1,0,0]=3 20701 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,1,0,1,0,0|1,0,0]=3 20702 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,1,0,1,0,0|1,0,0]=3 20703 B11R1.17 C=CCNC1CCNCC1C 270004a_100020586998_100000703950 [0,1,0,1,0,0|2,0,0]=4 20704 B11R1.17 C=CCNC1CCOCC1C 270004a_100020586998_100000755695 [0,1,0,1,0,0|2,0,0]=4 20705 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [0,1,0,1,0,0|2,0,0]=4 20706 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [0,1,0,1,0,0|2,0,0]=4 20707 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [0,1,0,1,0,0|0,0,2]=4 20708 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [0,1,0,1,0,0|0,0,2]=4 20709 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,1,0,1,0,0|1,0,0]=3 20710 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,1,0,1,0,0|1,0,0]=3 20711 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [0,1,0,1,0,0|2,0,0]=4 20712 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [0,1,0,1,0,0|2,0,0]=4 20713 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [0,1,0,1,0,0|2,0,0]=4 20714 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,1,0,1,0,0|2,0,0]=4 20715 B11R1.17 C=CCOC1CCNCC1C 34a_100011998114_100015514636 [0,1,0,1,0,0|2,0,0]=4 20716 B11R1.17 C=CCOC1CNCCC1C 34a_100000696640_100015514636 [0,1,0,1,0,0|2,0,0]=4 20717 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [0,1,0,1,0,0|2,0,0]=4 20718 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [0,1,0,1,0,0|2,0,0]=4 20719 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [0,1,0,1,0,0|2,0,0]=4 20720 B11R1.17 C=CCSC1CCCCC1=O 62a_100000204591_100000210623 [0,1,0,1,0,0|0,0,2]=4 20721 B11R1.17 C=CCSC1CCCCC1=O 62a_100000210623_100000204591 [0,1,0,1,0,0|0,0,2]=4 20722 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [0,1,0,1,0,0|2,0,0]=4 20723 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [0,1,0,1,0,0|2,0,0]=4 20724 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,1,0,1,0,0|2,0,0]=4 20725 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,1,0,1,0,0|2,0,0]=4 20726 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [0,1,0,1,0,0|1,0,1]=4 20727 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,1,0,1,0,0|0,0,0]=2 20728 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,1,0,1,0,0|0,0,0]=2 20729 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,1,0,1,0,0|1,0,1]=4 20730 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,1,0,1,0,0|1,0,1]=4 20731 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,1,0,1,0,0|1,0,1]=4 20732 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 20733 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 20734 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 20735 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 20736 B11R1.17 CC1CCCCC1OCC#N 7a_100000211207_100011215382 [0,1,0,1,0,0|1,0,1]=4 20737 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,1,0,1,0,0|0,0,0]=2 20738 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,1,0,1,0,0|0,0,0]=2 20739 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [0,1,0,1,0,0|1,0,1]=4 20740 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [0,1,0,1,0,0|1,0,1]=4 20741 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,1,0,1,0,0|0,0,2]=4 20742 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,1,0,1,0,0|0,0,2]=4 20743 B11R1.17 CC1CCCCN1CCC#N 2230a_100000211376_100011215226 [0,1,0,1,0,0|1,0,1]=4 20744 B11R1.17 CC1CCCCN1CCC#N 269982a_100000211376_100011215226 [0,1,0,1,0,0|1,0,1]=4 20745 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [0,1,0,1,0,0|1,0,1]=4 20746 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [0,1,0,1,0,0|1,0,1]=4 20747 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [0,1,0,1,0,0|1,0,1]=4 20748 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,1,0,1,0,0|0,0,2]=4 20749 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,1,0,1,0,0|0,0,2]=4 20750 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,1,0,1,0,0|0,0,2]=4 20751 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [0,1,0,1,0,0|2,0,0]=4 20752 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [0,1,0,1,0,0|2,0,0]=4 20753 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [0,1,0,1,0,0|2,0,0]=4 20754 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [0,1,0,1,0,0|1,0,0]=3 20755 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [0,1,0,1,0,0|1,0,0]=3 20756 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [0,1,0,1,0,0|1,0,1]=4 20757 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [0,1,0,1,0,0|1,0,1]=4 20758 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [0,1,0,1,0,0|1,0,1]=4 20759 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [0,1,0,1,0,0|1,0,1]=4 20760 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [0,1,0,1,0,0|1,0,1]=4 20761 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,1,0,1,0,0|1,0,1]=4 20762 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,1,0,1,0,0|1,0,1]=4 20763 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,1,0,1,0,0|1,0,1]=4 20764 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,1,0,1,0,0|1,0,1]=4 20765 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|1,0,0]=3 20766 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|1,0,0]=3 20767 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [0,1,0,1,0,0|1,0,1]=4 20768 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [0,1,0,1,0,0|1,0,1]=4 20769 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|0,0,0]=2 20770 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|0,0,0]=2 20771 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [0,1,0,1,0,0|1,0,1]=4 20772 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [0,1,0,1,0,0|1,0,1]=4 20773 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [0,1,0,1,0,0|1,0,1]=4 20774 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [0,1,0,1,0,0|1,0,1]=4 20775 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [0,1,0,1,0,0|1,0,1]=4 20776 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|0,0,2]=4 20777 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|1,0,0]=3 20778 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|1,0,0]=3 20779 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|1,0,0]=3 20780 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [0,1,0,1,0,0|1,0,1]=4 20781 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [0,1,0,1,0,0|1,0,1]=4 20782 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [0,1,0,1,0,0|1,0,1]=4 20783 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|0,0,0]=2 20784 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|0,0,0]=2 20785 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [0,1,0,1,0,0|1,0,1]=4 20786 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [0,1,0,1,0,0|1,0,1]=4 20787 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|0,0,2]=4 20788 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|0,0,2]=4 20789 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|1,0,0]=3 20790 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|1,0,0]=3 20791 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|1,0,0]=3 20792 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|1,0,0]=3 20793 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|0,0,2]=4 20794 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [0,1,0,1,0,0|2,0,0]=4 20795 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|0,0,0]=2 20796 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|0,0,0]=2 20797 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [0,1,0,1,0,0|2,0,0]=4 20798 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [0,1,0,1,0,0|2,0,0]=4 20799 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [0,1,0,1,0,0|2,0,0]=4 20800 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [0,1,0,1,0,0|2,0,0]=4 20801 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 20802 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 20803 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 20804 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [0,1,0,1,0,0|2,0,0]=4 20805 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [0,1,0,1,0,0|2,0,0]=4 20806 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [0,1,0,1,0,0|2,0,0]=4 20807 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [0,1,0,1,0,0|2,0,0]=4 20808 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [0,1,0,1,0,0|2,0,0]=4 20809 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,1,0,1,0,0|1,0,0]=3 20810 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,1,0,1,0,0|1,0,0]=3 20811 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [0,1,0,1,0,0|2,0,0]=4 20812 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [0,1,0,1,0,0|2,0,0]=4 20813 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [0,1,0,1,0,0|2,0,0]=4 20814 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [0,1,0,1,0,0|2,0,0]=4 20815 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [0,1,0,1,0,0|2,0,0]=4 20816 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [0,1,0,1,0,0|2,0,0]=4 20817 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [0,1,0,1,0,0|2,0,0]=4 20818 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [0,1,0,1,0,0|2,0,0]=4 20819 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [0,1,0,1,0,0|2,0,0]=4 20820 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 20821 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [0,1,0,1,0,0|2,0,0]=4 20822 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [0,1,0,1,0,0|2,0,0]=4 20823 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [0,1,0,1,0,0|2,0,0]=4 20824 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [0,1,0,1,0,0|2,0,0]=4 20825 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,1,0,1,0,0|2,0,0]=4 20826 B11R1.17 COCNC1CCCNC1=O 2230a_100000747585_100000766300 [0,1,0,1,0,0|2,0,0]=4 20827 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,1,0,1,0,0|1,0,0]=3 20828 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,1,0,1,0,0|1,0,0]=3 20829 B11R1.17 COCSC1CCCNC1=O 62a_100000687798_100000766300 [0,1,0,1,0,0|2,0,0]=4 20830 B11R1.17 COCSC1CCCNC1=O 62a_100000766300_100000687798 [0,1,0,1,0,0|2,0,0]=4 20831 B11R1.17 COCSC1COCCC1=O 62a_100000766300_100012180262 [0,1,0,1,0,0|2,0,0]=4 20832 B11R1.17 COCSC1COCCC1=O 62a_100012180262_100000766300 [0,1,0,1,0,0|2,0,0]=4 20833 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [0,1,0,1,0,0|2,0,0]=4 20834 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [0,1,0,1,0,0|2,0,0]=4 20835 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [0,1,0,1,0,0|2,0,0]=4 20836 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [0,1,0,1,0,0|2,0,0]=4 20837 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [0,1,0,1,0,0|2,0,0]=4 20838 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,1,0,1,0,0|2,0,0]=4 20839 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,1,0,1,0,0|2,0,0]=4 20840 B11R1.17 CSCNC1CCCNC1=O 2230a_100000747585_100011218213 [0,1,0,1,0,0|2,0,0]=4 20841 B11R1.17 CSCNC1CCCNC1=O 34a_100000747585_100011218213 [0,1,0,1,0,0|2,0,0]=4 20842 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,1,0,1,0,0|1,0,0]=3 20843 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [0,1,0,1,0,0|2,0,0]=4 20844 B11R1.17 CSCOC1CCCNC1=O 34a_100000073722_100011218213 [0,1,0,1,0,0|2,0,0]=4 20845 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,1,0,1,0,0|1,0,0]=3 20846 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,1,0,1,0,0|1,0,0]=3 20847 B11R1.17 CSCSC1CCCNC1=O 62a_100000687798_100011218213 [0,1,0,1,0,0|2,0,0]=4 20848 B11R1.17 CSCSC1CCCNC1=O 62a_100011218213_100000687798 [0,1,0,1,0,0|2,0,0]=4 20849 B11R1.17 CSCSC1COCCC1=O 62a_100011218213_100012180262 [0,1,0,1,0,0|2,0,0]=4 20850 B11R1.17 CSCSC1COCCC1=O 62a_100012180262_100011218213 [0,1,0,1,0,0|2,0,0]=4 20851 B11R1.17 N#CCSC1CCCCC1=O 62a_100000204591_100011215382 [0,1,0,1,0,0|1,0,1]=4 20852 B11R1.17 N#CCSC1CCCCC1=O 62a_100011215382_100000204591 [0,1,0,1,0,0|1,0,1]=4 20853 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,1,0,1,0,0|1,0,0]=3 20854 B11R1.17 NCCOC1CCCNC1=O 34a_100000210304_100000687798 [0,1,0,1,0,0|2,0,0]=4 20855 B11R1.17 NCCOC1COCCC1=O 34a_100000210304_100012180262 [0,1,0,1,0,0|2,0,0]=4 20856 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [0,1,0,1,0,0|1,0,0]=3 20857 B11R1.17 N[C@@H]1CCOC[C@@H]1OCC=O 34a_100016994285_200009817547 [0,1,0,1,0,0|2,0,0]=4 20858 B11R1.17 N[C@H]1COCC[C@@H]1OCC=O 34a_100015739063_200009817547 [0,1,0,1,0,0|2,0,0]=4 20859 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,1,0,1,0,0|1,0,0]=3 20860 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,1,0,1,0,0|1,0,0]=3 20861 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,1,0,1,0,0|1,0,0]=3 20862 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,1,0,1,0,0|1,0,0]=3 20863 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,1,0,1,0,0|1,0,0]=3 20864 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,1,0,1,0,0|1,0,0]=3 20865 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|1,0,0]=3 20866 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,1,0,1,0,0|1,0,0]=3 20867 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,1,0,1,0,0|1,0,0]=3 20868 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,1,0,1,0,0|1,0,0]=3 20869 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,1,0,1,0,0|1,0,0]=3 20870 B11R1.17 O=C1CCOCC1NCCF 34a_100000724931_100012180262 [0,1,0,1,0,0|2,0,0]=4 20871 B11R1.17 O=C1CCOCC1NCCO 34a_100016990907_100012180262 [0,1,0,1,0,0|2,0,0]=4 20872 B11R1.17 O=C1CCOCC1OCCBr 34a_100000211926_100012180262 [0,1,0,1,0,0|2,0,0]=4 20873 B11R1.17 O=C1CCOCC1SCCF 62a_100011217306_100012180262 [0,1,0,1,0,0|2,0,0]=4 20874 B11R1.17 O=C1CCOCC1SCCF 62a_100012180262_100011217306 [0,1,0,1,0,0|2,0,0]=4 20875 B11R1.17 O=C1CCOCC1SCCO 62a_100000211926_100012180262 [0,1,0,1,0,0|2,0,0]=4 20876 B11R1.17 O=C1CCOCC1SCCO 62a_100012180262_100000211926 [0,1,0,1,0,0|2,0,0]=4 20877 B11R1.17 O=C1NCCCC1NCCF 2230a_100000747585_100011217306 [0,1,0,1,0,0|2,0,0]=4 20878 B11R1.17 O=C1NCCCC1NCCF 34a_100000724931_100000687798 [0,1,0,1,0,0|2,0,0]=4 20879 B11R1.17 O=C1NCCCC1NCCF 34a_100000747585_100011217306 [0,1,0,1,0,0|2,0,0]=4 20880 B11R1.17 O=C1NCCCC1NCCO 2230a_100000747585_100000211926 [0,1,0,1,0,0|2,0,0]=4 20881 B11R1.17 O=C1NCCCC1NCCO 2230a_100016997473_100000687798 [0,1,0,1,0,0|2,0,0]=4 20882 B11R1.17 O=C1NCCCC1NCCO 34a_100000747585_100000211926 [0,1,0,1,0,0|2,0,0]=4 20883 B11R1.17 O=C1NCCCC1NCCO 34a_100016990907_100000687798 [0,1,0,1,0,0|2,0,0]=4 20884 B11R1.17 O=C1NCCCC1OCCBr 34a_100000211926_100000687798 [0,1,0,1,0,0|2,0,0]=4 20885 B11R1.17 O=C1NCCCC1OCCF 34a_100000073722_100011217306 [0,1,0,1,0,0|2,0,0]=4 20886 B11R1.17 O=C1NCCCC1OCCO 34a_100000073722_100000211926 [0,1,0,1,0,0|2,0,0]=4 20887 B11R1.17 O=C1NCCCC1SCCF 62a_100000687798_100011217306 [0,1,0,1,0,0|2,0,0]=4 20888 B11R1.17 O=C1NCCCC1SCCF 62a_100011217306_100000687798 [0,1,0,1,0,0|2,0,0]=4 20889 B11R1.17 O=C1NCCCC1SCCO 62a_100000211926_100000687798 [0,1,0,1,0,0|2,0,0]=4 20890 B11R1.17 O=C1NCCCC1SCCO 62a_100000687798_100000211926 [0,1,0,1,0,0|2,0,0]=4 20891 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [0,1,0,1,0,0|1,0,0]=3 20892 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [0,1,0,1,0,0|1,0,0]=3 20893 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [0,1,0,1,0,0|2,0,0]=4 20894 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [0,1,0,1,0,0|2,0,0]=4 20895 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [0,1,0,1,0,0|2,0,0]=4 20896 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [0,1,0,1,0,0|2,0,0]=4 20897 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [0,1,0,1,0,0|1,0,1]=4 20898 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [0,1,0,1,0,0|1,0,0]=3 20899 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [0,1,0,1,0,0|1,0,0]=3 20900 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [0,1,0,1,0,0|1,0,0]=3 20901 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [0,1,0,1,0,0|1,0,0]=3 20902 B11R1.17 O=CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200009817547 [0,1,0,1,0,0|2,0,0]=4 20903 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [0,1,0,1,0,0|1,0,1]=4 20904 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [0,1,0,1,0,0|1,0,1]=4 20905 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [0,1,0,1,0,0|1,0,0]=3 20906 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [0,1,0,1,0,0|1,0,0]=3 20907 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,1,0,1,0,0|1,0,0]=3 20908 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,1,0,1,0,0|1,0,0]=3 20909 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 20910 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 20911 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 20912 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,1,0,1,0,0|1,0,0]=3 20913 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,1,0,1,0,0|1,0,0]=3 20914 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 20915 B11R1.18 C#CCCN1CCCC1CC 2230a_100000754278_100000688953 [0,1,0,1,0,0|1,0,1]=4 20916 B11R1.18 C#CCCN1CCCC1CC 269982a_100000754278_100000730999 [0,1,0,1,0,0|1,0,1]=4 20917 B11R1.18 C#CCCN1CCCC1CC 34a_100000754278_100000688953 [0,1,0,1,0,0|1,0,1]=4 20918 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [0,1,0,1,0,0|1,0,1]=4 20919 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [0,1,0,1,0,0|1,0,1]=4 20920 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [0,1,0,1,0,0|1,0,0]=3 20921 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [0,1,0,1,0,0|1,0,0]=3 20922 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [0,1,0,1,0,0|1,0,0]=3 20923 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [0,1,0,1,0,0|2,0,0]=4 20924 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [0,1,0,1,0,0|2,0,0]=4 20925 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [0,1,0,1,0,0|2,0,0]=4 20926 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [0,1,0,1,0,0|1,0,0]=3 20927 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [0,1,0,1,0,0|1,0,1]=4 20928 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [0,1,0,1,0,0|1,0,1]=4 20929 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [0,1,0,1,0,0|1,0,1]=4 20930 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 20931 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 20932 B11R1.18 CCC1CCCN1CCC#N 2230a_100000754278_100011215226 [0,1,0,1,0,0|1,0,1]=4 20933 B11R1.18 CCC1CCCN1CCC#N 269982a_100000754278_100011215226 [0,1,0,1,0,0|1,0,1]=4 20934 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [0,1,0,1,0,0|1,0,1]=4 20935 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [0,1,0,1,0,0|1,0,1]=4 20936 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [0,1,0,1,0,0|1,0,1]=4 20937 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,1,0,1,0,0|0,0,2]=4 20938 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,1,0,1,0,0|0,0,2]=4 20939 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,1,0,1,0,0|0,0,2]=4 20940 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [0,1,0,1,0,0|2,0,0]=4 20941 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [0,1,0,1,0,0|2,0,0]=4 20942 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [0,1,0,1,0,0|2,0,0]=4 20943 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [0,1,0,1,0,0|2,0,0]=4 20944 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [0,1,0,1,0,0|2,0,0]=4 20945 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [0,1,0,1,0,0|2,0,0]=4 20946 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [0,1,0,1,0,0|1,0,1]=4 20947 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [0,1,0,1,0,0|1,0,1]=4 20948 B11R1.18 CCCCN1CCCC1C#N 2230a_100000701862_100000210211 [0,1,0,1,0,0|1,0,1]=4 20949 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [0,1,0,1,0,0|1,0,1]=4 20950 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [0,1,0,1,0,0|1,0,1]=4 20951 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [0,1,0,1,0,0|1,0,1]=4 20952 B11R1.18 CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210211 [0,1,0,1,0,0|1,0,1]=4 20953 B11R1.18 CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210211 [0,1,0,1,0,0|1,0,1]=4 20954 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,1,0,1,0,0|0,0,2]=4 20955 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,1,0,1,0,0|0,0,2]=4 20956 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,1,0,1,0,0|0,0,2]=4 20957 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [0,1,0,1,0,0|1,0,1]=4 20958 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [0,1,0,1,0,0|1,0,1]=4 20959 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210303 [0,1,0,1,0,0|1,0,1]=4 20960 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210303 [0,1,0,1,0,0|1,0,1]=4 20961 B11R1.18 CNC1CCCC1CCC#N 270004a_106832991635_100000073560 [0,1,0,1,0,0|1,0,1]=4 20962 B11R1.18 N#C[C@@H]1CCC[C@H]1OCC=O 34a_100011907464_200009817547 [0,1,0,1,0,0|1,0,1]=4 20963 B11R1.18 N#C[C@@H]1CCC[C@H]1OCC=O 7a_100011907464_200015260668 [0,1,0,1,0,0|1,0,1]=4 20964 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [0,1,0,1,0,0|1,0,1]=4 20965 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [0,1,0,1,0,0|1,0,1]=4 20966 B11R1.28 C#CCCNC1CCCCC1 2230a_100000182618_100000688953 [0,1,0,1,0,0|1,0,1]=4 20967 B11R1.28 C#CCCNC1CCCCC1 34a_100000182618_100000688953 [0,1,0,1,0,0|1,0,1]=4 20968 B11R1.28 C#CCCNC1CCCCC1 34a_100000755551_100000210327 [0,1,0,1,0,0|1,0,1]=4 20969 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [0,1,0,1,0,0|1,0,1]=4 20970 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [0,1,0,1,0,0|1,0,1]=4 20971 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [0,1,0,1,0,0|1,0,1]=4 20972 B11R1.28 C#CCCSC1CCCCC1 62a_100000210327_100000688953 [0,1,0,1,0,0|1,0,1]=4 20973 B11R1.28 C#CCCSC1CCCCC1 62a_100000688953_100000210327 [0,1,0,1,0,0|1,0,1]=4 20974 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [0,1,0,1,0,0|1,0,1]=4 20975 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [0,1,0,1,0,0|1,0,1]=4 20976 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [0,1,0,1,0,0|1,0,1]=4 20977 B11R1.28 C#CCOCC1CCCCC1 34a_100000210247_100000211423 [0,1,0,1,0,0|1,0,1]=4 20978 B11R1.28 C#CCOCC1CCCCC1 34a_100000212181_100000184674 [0,1,0,1,0,0|1,0,1]=4 20979 B11R1.28 C#CCOCC1CCCCC1 7a_100000212181_100000038162 [0,1,0,1,0,0|1,0,1]=4 20980 B11R1.28 C#CCSCC1CCCCC1 62a_100000038162_100000211423 [0,1,0,1,0,0|1,0,1]=4 20981 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [0,1,0,1,0,0|1,0,1]=4 20982 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [0,1,0,1,0,0|1,0,1]=4 20983 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [0,1,0,1,0,0|1,0,1]=4 20984 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [0,1,0,1,0,0|1,0,1]=4 20985 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [0,1,0,1,0,0|1,0,1]=4 20986 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [0,1,0,1,0,0|1,0,1]=4 20987 B11R1.28 C=CCCCN1CCCOC1 2230a_100000131196_100011713584 [0,1,0,1,0,0|2,0,0]=4 20988 B11R1.28 C=CCCCN1CCCOC1 269982a_100000131196_100000757094 [0,1,0,1,0,0|2,0,0]=4 20989 B11R1.28 C=CCCCN1CCCOC1 34a_100000131196_100000757094 [0,1,0,1,0,0|2,0,0]=4 20990 B11R1.28 C=CCCCN1CCOCC1 2230a_100015191051_100011713584 [0,1,0,1,0,0|2,0,0]=4 20991 B11R1.28 C=CCCCN1CCOCC1 269982a_100015191051_100000757094 [0,1,0,1,0,0|2,0,0]=4 20992 B11R1.28 C=CCCCN1CCOCC1 34a_100015191051_100000757094 [0,1,0,1,0,0|2,0,0]=4 20993 B11R1.28 C=CCCCN1CCSCC1 2230a_100000737611_100011713584 [0,1,0,1,0,0|2,0,0]=4 20994 B11R1.28 C=CCCCN1CCSCC1 269982a_100000737611_100000757094 [0,1,0,1,0,0|2,0,0]=4 20995 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,1,0,1,0,0|1,0,0]=3 20996 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,1,0,1,0,0|1,0,0]=3 20997 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,1,0,1,0,0|1,0,0]=3 20998 B11R1.28 C=CCCNC1CCCOC1 2230a_100000719290_100000754431 [0,1,0,1,0,0|2,0,0]=4 20999 B11R1.28 C=CCCNC1CCCOC1 270004a_100015191253_100000753404 [0,1,0,1,0,0|2,0,0]=4 21000 B11R1.28 C=CCCNC1CCCOC1 34a_100000719290_100000754431 [0,1,0,1,0,0|2,0,0]=4 21001 B11R1.28 C=CCCNC1CCCSC1 270004a_100015191253_100000057913 [0,1,0,1,0,0|2,0,0]=4 21002 B11R1.28 C=CCCNC1CCNCC1 270004a_100015191253_100015192401 [0,1,0,1,0,0|2,0,0]=4 21003 B11R1.28 C=CCCNC1CCOCC1 2230a_100000741149_100000754431 [0,1,0,1,0,0|2,0,0]=4 21004 B11R1.28 C=CCCNC1CCOCC1 270004a_100015191253_100011217826 [0,1,0,1,0,0|2,0,0]=4 21005 B11R1.28 C=CCCNC1CCOCC1 34a_100000741149_100000754431 [0,1,0,1,0,0|2,0,0]=4 21006 B11R1.28 C=CCCNC1CCSCC1 2230a_100000748639_100000754431 [0,1,0,1,0,0|2,0,0]=4 21007 B11R1.28 C=CCCNC1CCSCC1 270004a_100015191253_100000203788 [0,1,0,1,0,0|2,0,0]=4 21008 B11R1.28 C=CCCNC1CCSCC1 34a_100000748639_100000754431 [0,1,0,1,0,0|2,0,0]=4 21009 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,1,0,1,0,0|1,0,0]=3 21010 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,1,0,1,0,0|1,0,0]=3 21011 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,1,0,1,0,0|1,0,0]=3 21012 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,1,0,1,0,0|2,0,0]=4 21013 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [0,1,0,1,0,0|2,0,0]=4 21014 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [0,1,0,1,0,0|2,0,0]=4 21015 B11R1.28 C=CCCOC1CCCSC1 7a_100015962668_100000754431 [0,1,0,1,0,0|2,0,0]=4 21016 B11R1.28 C=CCCOC1CCOCC1 34a_100000744328_100000754431 [0,1,0,1,0,0|2,0,0]=4 21017 B11R1.28 C=CCCOC1CCSCC1 34a_100000731022_100000754431 [0,1,0,1,0,0|2,0,0]=4 21018 B11R1.28 C=CCCOC1CCSCC1 34a_100011205117_100000069128 [0,1,0,1,0,0|2,0,0]=4 21019 B11R1.28 C=CCCOC1CCSCC1 7a_100000731022_100000754431 [0,1,0,1,0,0|2,0,0]=4 21020 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,1,0,1,0,0|1,0,0]=3 21021 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,1,0,1,0,0|1,0,0]=3 21022 B11R1.28 C=CCCSC1CCCOC1 62a_100000754431_100000693364 [0,1,0,1,0,0|2,0,0]=4 21023 B11R1.28 C=CCCSC1CCOCC1 62a_100000754431_100011324220 [0,1,0,1,0,0|2,0,0]=4 21024 B11R1.28 C=CCCSC1CCSCC1 62a_100000754431_100000069128 [0,1,0,1,0,0|2,0,0]=4 21025 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,1,0,1,0,0|1,0,0]=3 21026 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,1,0,1,0,0|1,0,0]=3 21027 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,1,0,1,0,0|1,0,0]=3 21028 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,1,0,1,0,0|2,0,0]=4 21029 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,1,0,1,0,0|2,0,0]=4 21030 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,1,0,1,0,0|2,0,0]=4 21031 B11R1.28 C=CCNCC1CCCOC1 2230a_100000720124_100000210623 [0,1,0,1,0,0|2,0,0]=4 21032 B11R1.28 C=CCNCC1CCCOC1 2230a_100020586998_100000741521 [0,1,0,1,0,0|2,0,0]=4 21033 B11R1.28 C=CCNCC1CCCOC1 34a_100000720124_100015514636 [0,1,0,1,0,0|2,0,0]=4 21034 B11R1.28 C=CCNCC1CCOCC1 2230a_100000746373_100000210623 [0,1,0,1,0,0|2,0,0]=4 21035 B11R1.28 C=CCNCC1CCOCC1 2230a_100020586998_100000754603 [0,1,0,1,0,0|2,0,0]=4 21036 B11R1.28 C=CCNCC1CCOCC1 34a_100000746373_100015514636 [0,1,0,1,0,0|2,0,0]=4 21037 B11R1.28 C=CCNCC1CCSCC1 2230a_100015188806_100000210623 [0,1,0,1,0,0|2,0,0]=4 21038 B11R1.28 C=CCNCC1CCSCC1 270004a_100020586998_100000067145 [0,1,0,1,0,0|2,0,0]=4 21039 B11R1.28 C=CCNCC1CCSCC1 34a_100015188806_100015514636 [0,1,0,1,0,0|2,0,0]=4 21040 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,1,0,1,0,0|1,0,0]=3 21041 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,1,0,1,0,0|1,0,0]=3 21042 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,1,0,1,0,0|1,0,0]=3 21043 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [0,1,0,1,0,0|2,0,0]=4 21044 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [0,1,0,1,0,0|2,0,0]=4 21045 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [0,1,0,1,0,0|2,0,0]=4 21046 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [0,1,0,1,0,0|2,0,0]=4 21047 B11R1.28 C=CCOCC1CCCNC1 34a_100000211344_100015514636 [0,1,0,1,0,0|2,0,0]=4 21048 B11R1.28 C=CCOCC1CCCOC1 34a_100000741520_100015514636 [0,1,0,1,0,0|2,0,0]=4 21049 B11R1.28 C=CCOCC1CCCOC1 34a_200000210373_100000741521 [0,1,0,1,0,0|2,0,0]=4 21050 B11R1.28 C=CCOCC1CCNCC1 34a_100000738675_100015514636 [0,1,0,1,0,0|2,0,0]=4 21051 B11R1.28 C=CCOCC1CCOCC1 34a_100000749013_100015514636 [0,1,0,1,0,0|2,0,0]=4 21052 B11R1.28 C=CCOCC1CCOCC1 34a_200000210373_100000754603 [0,1,0,1,0,0|2,0,0]=4 21053 B11R1.28 C=CCOCC1CCSCC1 34a_100000070558_100015514636 [0,1,0,1,0,0|2,0,0]=4 21054 B11R1.28 C=CCOCC1CCSCC1 7a_100000070558_100015514636 [0,1,0,1,0,0|2,0,0]=4 21055 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,1,0,1,0,0|1,0,0]=3 21056 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,1,0,1,0,0|1,0,0]=3 21057 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [0,1,0,1,0,0|2,0,0]=4 21058 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [0,1,0,1,0,0|2,0,0]=4 21059 B11R1.28 C=CCSCC1CCCOC1 62a_100000210623_100000741521 [0,1,0,1,0,0|2,0,0]=4 21060 B11R1.28 C=CCSCC1CCCOC1 62a_100000741521_100000210623 [0,1,0,1,0,0|2,0,0]=4 21061 B11R1.28 C=CCSCC1CCOCC1 62a_100000210623_100000749018 [0,1,0,1,0,0|2,0,0]=4 21062 B11R1.28 C=CCSCC1CCOCC1 62a_100000754603_100000210623 [0,1,0,1,0,0|2,0,0]=4 21063 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [0,1,0,1,0,0|1,0,1]=4 21064 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [0,1,0,1,0,0|1,0,1]=4 21065 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [0,1,0,1,0,0|1,0,1]=4 21066 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [0,1,0,1,0,0|1,0,1]=4 21067 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [0,1,0,1,0,0|1,0,1]=4 21068 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [0,1,0,1,0,0|1,0,1]=4 21069 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [0,1,0,1,0,0|2,0,0]=4 21070 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,1,0,1,0,0|1,0,1]=4 21071 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,1,0,1,0,0|1,0,1]=4 21072 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,1,0,1,0,0|1,0,1]=4 21073 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,1,0,1,0,0|2,0,0]=4 21074 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,1,0,1,0,0|2,0,0]=4 21075 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,1,0,1,0,0|2,0,0]=4 21076 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,1,0,1,0,0|1,0,0]=3 21077 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,1,0,1,0,0|1,0,0]=3 21078 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [0,1,0,1,0,0|1,0,1]=4 21079 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [0,1,0,1,0,0|1,0,1]=4 21080 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [0,1,0,1,0,0|1,0,1]=4 21081 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [0,1,0,1,0,0|1,0,1]=4 21082 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [0,1,0,1,0,0|2,0,0]=4 21083 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [0,1,0,1,0,0|2,0,0]=4 21084 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [0,1,0,1,0,0|2,0,0]=4 21085 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [0,1,0,1,0,0|2,0,0]=4 21086 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [0,1,0,1,0,0|2,0,0]=4 21087 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,1,0,1,0,0|1,0,0]=3 21088 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,1,0,1,0,0|1,0,0]=3 21089 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [0,1,0,1,0,0|1,0,1]=4 21090 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [0,1,0,1,0,0|1,0,1]=4 21091 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [0,1,0,1,0,0|1,0,1]=4 21092 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [0,1,0,1,0,0|1,0,1]=4 21093 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [0,1,0,1,0,0|1,0,1]=4 21094 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,1,0,1,0,0|0,0,2]=4 21095 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [0,1,0,1,0,0|2,0,0]=4 21096 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [0,1,0,1,0,0|2,0,0]=4 21097 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [0,1,0,1,0,0|2,0,0]=4 21098 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [0,1,0,1,0,0|2,0,0]=4 21099 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,1,0,1,0,0|1,0,0]=3 21100 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,1,0,1,0,0|1,0,0]=3 21101 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [0,1,0,1,0,0|1,0,1]=4 21102 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [0,1,0,1,0,0|1,0,1]=4 21103 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [0,1,0,1,0,0|2,0,0]=4 21104 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [0,1,0,1,0,0|1,0,1]=4 21105 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,1,0,1,0,0|1,0,1]=4 21106 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,1,0,1,0,0|1,0,1]=4 21107 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,1,0,1,0,0|1,0,1]=4 21108 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,1,0,1,0,0|0,0,2]=4 21109 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,1,0,1,0,0|0,0,2]=4 21110 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [0,1,0,1,0,0|2,0,0]=4 21111 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [0,1,0,1,0,0|2,0,0]=4 21112 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [0,1,0,1,0,0|1,0,1]=4 21113 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,1,0,0|0,0,2]=4 21114 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [0,1,0,1,0,0|1,0,1]=4 21115 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [0,1,0,1,0,0|1,0,1]=4 21116 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [0,1,0,1,0,0|1,0,1]=4 21117 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [0,1,0,1,0,0|1,0,1]=4 21118 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,1,0,1,0,0|0,0,2]=4 21119 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,1,0,1,0,0|0,0,2]=4 21120 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,1,0,1,0,0|0,0,2]=4 21121 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [0,1,0,1,0,0|2,0,0]=4 21122 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,1,0,1,0,0|2,0,0]=4 21123 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,1,0,1,0,0|2,0,0]=4 21124 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [0,1,0,1,0,0|1,0,1]=4 21125 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [0,1,0,1,0,0|1,0,1]=4 21126 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,1,0,1,0,0|0,0,2]=4 21127 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,1,0,1,0,0|0,0,2]=4 21128 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [0,1,0,1,0,0|2,0,0]=4 21129 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [0,1,0,1,0,0|2,0,0]=4 21130 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,1,0,1,0,0|1,0,1]=4 21131 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,1,0,1,0,0|1,0,1]=4 21132 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,1,0,1,0,0|1,0,1]=4 21133 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,1,0,1,0,0|1,0,1]=4 21134 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,1,0,1,0,0|0,0,2]=4 21135 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,1,0,1,0,0|0,0,2]=4 21136 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [0,1,0,1,0,0|1,0,1]=4 21137 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [0,1,0,1,0,0|1,0,1]=4 21138 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [0,1,0,1,0,0|1,0,1]=4 21139 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [0,1,0,1,0,0|1,0,1]=4 21140 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 21141 B11R1.28 CCOCSC1C=CCCC1 62a_100000739092_100000751183 [0,1,0,1,0,0|2,0,0]=4 21142 B11R1.28 CCOCSC1C=CCCC1 62a_100000751183_100000739092 [0,1,0,1,0,0|2,0,0]=4 21143 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [0,1,0,1,0,0|1,0,1]=4 21144 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [0,1,0,1,0,0|1,0,1]=4 21145 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [0,1,0,1,0,0|1,0,1]=4 21146 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [0,1,0,1,0,0|1,0,1]=4 21147 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [0,1,0,1,0,0|1,0,1]=4 21148 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [0,1,0,1,0,0|1,0,1]=4 21149 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [0,1,0,1,0,0|1,0,1]=4 21150 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [0,1,0,1,0,0|2,0,0]=4 21151 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [0,1,0,1,0,0|2,0,0]=4 21152 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [0,1,0,1,0,0|2,0,0]=4 21153 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [0,1,0,1,0,0|2,0,0]=4 21154 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [0,1,0,1,0,0|2,0,0]=4 21155 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [0,1,0,1,0,0|2,0,0]=4 21156 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [0,1,0,1,0,0|2,0,0]=4 21157 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,1,0,1,0,0|0,0,2]=4 21158 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,1,0,1,0,0|0,0,2]=4 21159 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,1,0,1,0,0|0,0,2]=4 21160 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [0,1,0,1,0,0|1,0,1]=4 21161 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [0,1,0,1,0,0|2,0,0]=4 21162 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,1,0,1,0,0|2,0,0]=4 21163 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [0,1,0,1,0,0|2,0,0]=4 21164 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [0,1,0,1,0,0|2,0,0]=4 21165 B11R1.28 COCCNC1C=CCCC1 2230a_100000209980_100000751183 [0,1,0,1,0,0|2,0,0]=4 21166 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,1,0,1,0,0|2,0,0]=4 21167 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,1,0,1,0,0|2,0,0]=4 21168 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,1,0,1,0,0|2,0,0]=4 21169 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 21170 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [0,1,0,1,0,0|2,0,0]=4 21171 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,1,0,1,0,0|2,0,0]=4 21172 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,1,0,1,0,0|2,0,0]=4 21173 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,1,0,1,0,0|2,0,0]=4 21174 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,1,0,1,0,0|2,0,0]=4 21175 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,1,0,1,0,0|2,0,0]=4 21176 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,1,0,1,0,0|2,0,0]=4 21177 B11R1.28 COCCSC1C=CCCC1 62a_100000233755_100000751183 [0,1,0,1,0,0|2,0,0]=4 21178 B11R1.28 COCCSC1C=CCCC1 62a_100000751183_100000233755 [0,1,0,1,0,0|2,0,0]=4 21179 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [0,1,0,1,0,0|2,0,0]=4 21180 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [0,1,0,1,0,0|2,0,0]=4 21181 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,1,0,1,0,0|2,0,0]=4 21182 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [0,1,0,1,0,0|2,0,0]=4 21183 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [0,1,0,1,0,0|2,0,0]=4 21184 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [0,1,0,1,0,0|0,1,1]=4 21185 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [0,1,0,1,0,0|0,1,1]=4 21186 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [0,1,0,1,0,0|2,0,0]=4 21187 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [0,1,0,1,0,0|2,0,0]=4 21188 B11R1.28 CSCCNC1C=CCCC1 2230a_100020590264_100000751183 [0,1,0,1,0,0|2,0,0]=4 21189 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [0,1,0,1,0,0|2,0,0]=4 21190 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [0,1,0,1,0,0|2,0,0]=4 21191 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [0,1,0,1,0,0|2,0,0]=4 21192 B11R1.28 CSCCOC1C=CCCC1 34a_100011215024_100000212216 [0,1,0,1,0,0|2,0,0]=4 21193 B11R1.28 CSCCOC1C=CCCC1 7a_100000230434_100000751183 [0,1,0,1,0,0|2,0,0]=4 21194 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [0,1,0,1,0,0|2,0,0]=4 21195 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [0,1,0,1,0,0|2,0,0]=4 21196 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [0,1,0,1,0,0|2,0,0]=4 21197 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [0,1,0,1,0,0|2,0,0]=4 21198 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [0,1,0,1,0,0|2,0,0]=4 21199 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [0,1,0,1,0,0|2,0,0]=4 21200 B11R1.28 CSCCSC1C=CCCC1 62a_100000212216_100000751183 [0,1,0,1,0,0|2,0,0]=4 21201 B11R1.28 CSCCSC1C=CCCC1 62a_100000751183_100000751147 [0,1,0,1,0,0|2,0,0]=4 21202 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [0,1,0,1,0,0|2,0,0]=4 21203 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [0,1,0,1,0,0|2,0,0]=4 21204 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,1,0,1,0,0|2,0,0]=4 21205 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,1,0,1,0,0|2,0,0]=4 21206 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [0,1,0,1,0,0|2,0,0]=4 21207 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [0,1,0,1,0,0|2,0,0]=4 21208 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [0,1,0,1,0,0|2,0,0]=4 21209 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [0,1,0,1,0,0|1,0,1]=4 21210 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [0,1,0,1,0,0|2,0,0]=4 21211 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [0,1,0,1,0,0|1,0,1]=4 21212 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [0,1,0,1,0,0|1,0,1]=4 21213 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [0,1,0,1,0,0|1,0,1]=4 21214 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [0,1,0,1,0,0|1,0,1]=4 21215 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [0,1,0,1,0,0|2,0,0]=4 21216 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [0,1,0,1,0,0|1,0,1]=4 21217 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [0,1,0,1,0,0|1,0,1]=4 21218 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [0,1,0,1,0,0|1,0,1]=4 21219 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [0,1,0,1,0,0|2,0,0]=4 21220 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [0,1,0,1,0,0|2,0,0]=4 21221 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [0,1,0,1,0,0|1,0,1]=4 21222 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [0,1,0,1,0,0|1,0,1]=4 21223 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,1,0,1,0,0|1,0,1]=4 21224 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,1,0,1,0,0|1,0,1]=4 21225 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,1,0,1,0,0|1,0,1]=4 21226 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,1,0,1,0,0|1,0,1]=4 21227 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [0,1,0,1,0,0|1,0,1]=4 21228 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [0,1,0,1,0,0|1,0,1]=4 21229 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [0,1,0,1,0,0|1,0,1]=4 21230 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [0,1,0,1,0,0|1,0,1]=4 21231 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,1,0,1,0,0|1,0,1]=4 21232 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [0,1,0,1,0,0|1,0,1]=4 21233 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [0,1,0,1,0,0|1,0,1]=4 21234 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [0,1,0,1,0,0|1,0,1]=4 21235 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [0,1,0,1,0,0|1,0,1]=4 21236 B11R1.28 N#CCCNC1CCCCC1 2230a_100000182618_100011215226 [0,1,0,1,0,0|1,0,1]=4 21237 B11R1.28 N#CCCNC1CCCCC1 270004a_100000720768_100000210434 [0,1,0,1,0,0|1,0,1]=4 21238 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [0,1,0,1,0,0|1,0,1]=4 21239 B11R1.28 N#CCCSC1CCCCC1 62a_100000210327_100011215226 [0,1,0,1,0,0|1,0,1]=4 21240 B11R1.28 N#CCCSC1CCCCC1 62a_100011215226_100000210327 [0,1,0,1,0,0|1,0,1]=4 21241 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [0,1,0,1,0,0|1,0,1]=4 21242 B11R1.28 N#CCOCC1CCCCC1 7a_100000212181_100011215382 [0,1,0,1,0,0|1,0,1]=4 21243 B11R1.28 N#CCSCC1CCCCC1 62a_100000211423_100011215382 [0,1,0,1,0,0|1,0,1]=4 21244 B11R1.28 N#CCSCC1CCCCC1 62a_100011215382_100000211423 [0,1,0,1,0,0|1,0,1]=4 21245 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [0,1,0,1,0,0|1,0,1]=4 21246 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [0,1,0,1,0,0|1,0,1]=4 21247 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,1,0,1,0,0|2,0,0]=4 21248 B11R1.28 O=CCCCN1CC=CCC1 2230a_100000698166_200011292268 [0,1,0,1,0,0|0,0,2]=4 21249 B11R1.28 O=CCCCN1CC=CCC1 269982a_100000698166_200011292268 [0,1,0,1,0,0|0,0,2]=4 21250 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [0,1,0,1,0,0|1,0,0]=3 21251 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [0,1,0,1,0,0|1,0,0]=3 21252 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [0,1,0,1,0,0|1,0,0]=3 21253 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [0,1,0,1,0,0|1,0,0]=3 21254 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [0,1,0,1,0,0|1,0,0]=3 21255 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [0,1,0,1,0,0|1,0,0]=3 21256 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,1,0,1,0,0|0,0,0]=2 21257 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,1,0,1,0,0|0,0,0]=2 21258 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,1,0,1,0,0|1,0,0]=3 21259 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,1,0,1,0,0|1,0,0]=3 21260 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [0,1,0,1,0,0|1,0,0]=3 21261 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [0,1,0,1,0,0|1,0,0]=3 21262 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [0,1,0,1,0,0|1,0,0]=3 21263 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [0,1,0,1,0,0|1,0,0]=3 21264 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [0,1,0,1,0,0|1,0,0]=3 21265 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [0,1,0,1,0,0|1,0,0]=3 21266 B11R1.28 O=CCNC[C@H]1COCCO1 2230a_100010981119_200015260668 [0,1,0,1,0,0|2,0,0]=4 21267 B11R1.28 O=CCNC[C@H]1COCCO1 34a_100010981119_200009817547 [0,1,0,1,0,0|2,0,0]=4 21268 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [0,1,0,1,0,0|0,0,2]=4 21269 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,1,0,1,0,0|0,0,0]=2 21270 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,1,0,1,0,0|0,0,0]=2 21271 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [0,1,0,1,0,0|1,0,0]=3 21272 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,1,0,1,0,0|1,0,0]=3 21273 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,1,0,1,0,0|1,0,0]=3 21274 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [0,1,0,1,0,0|1,0,0]=3 21275 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [0,1,0,1,0,0|1,0,0]=3 21276 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [0,1,0,1,0,0|1,0,0]=3 21277 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [0,1,0,1,0,0|1,0,0]=3 21278 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [0,1,0,1,0,0|1,0,0]=3 21279 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [0,1,0,1,0,0|1,0,0]=3 21280 B11R1.28 O=CCOC[C@@H]1CNCCO1 34a_100015189573_200009817547 [0,1,0,1,0,0|2,0,0]=4 21281 B11R1.28 O=CCOC[C@@H]1COCCN1 34a_100000717676_200009817547 [0,1,0,1,0,0|2,0,0]=4 21282 B11R1.28 O=CCOC[C@H]1COCCO1 34a_100009875890_200009817547 [0,1,0,1,0,0|2,0,0]=4 21283 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,1,0,1,0,0|0,0,0]=2 21284 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,1,0,1,0,0|0,0,0]=2 21285 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,1,0,1,0,0|1,0,0]=3 21286 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,1,0,1,0,0|1,0,0]=3 21287 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [0,1,0,1,0,0|1,0,0]=3 21288 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [0,1,0,1,0,0|1,0,0]=3 21289 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [0,1,0,1,0,0|1,0,0]=3 21290 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [0,1,0,1,0,0|1,0,0]=3 21291 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,1,0,1,0,0|0,0,2]=4 21292 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,1,0,1,0,0|0,0,2]=4 21293 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,1,0,1,0,0|0,0,2]=4 21294 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,1,0,1,0,0|2,0,0]=4 21295 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,1,0,1,0,0|0,0,2]=4 21296 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,1,0,1,0,0|0,0,2]=4 21297 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [0,1,0,1,0,0|2,0,0]=4 21298 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [0,1,0,1,0,0|2,0,0]=4 21299 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,1,0,1,0,0|0,0,2]=4 21300 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,1,0,1,0,0|0,0,2]=4 21301 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 21302 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,1,0,1,0,0|0,0,2]=4 21303 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,1,0,1,0,0|0,0,2]=4 21304 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 21305 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,1,0,1,0,0|0,0,2]=4 21306 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,1,0,1,0,0|0,0,2]=4 21307 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,1,0,1,0,0|0,0,2]=4 21308 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,1,0,1,0,0|0,0,2]=4 21309 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,1,0,1,0,0|0,0,2]=4 21310 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [0,1,0,1,0,0|1,0,1]=4 21311 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [0,1,0,1,0,0|1,0,1]=4 21312 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [0,1,0,1,0,0|2,0,0]=4 21313 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,1,0,1,0,0|0,0,2]=4 21314 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,1,0,1,0,0|0,0,2]=4 21315 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [0,1,0,1,0,0|1,0,1]=4 21316 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [0,1,0,1,0,0|2,0,0]=4 21317 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,1,0,1,0,0|2,0,0]=4 21318 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [0,1,0,1,0,0|2,0,0]=4 21319 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 21320 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,1,0,1,0,0|2,0,0]=4 21321 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,1,0,1,0,0|2,0,0]=4 21322 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [0,1,0,1,0,0|0,1,1]=4 21323 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [0,1,0,1,0,0|0,1,1]=4 21324 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [0,1,0,1,0,0|2,0,0]=4 21325 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [0,1,0,1,0,0|2,0,0]=4 21326 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [0,1,0,1,0,0|2,0,0]=4 21327 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [0,1,0,1,0,0|2,0,0]=4 21328 B11R1.41 C#CC1CCCCN1CC=O 2230a_200020621307_200015260668 [0,1,0,1,0,0|0,0,2]=4 21329 B11R1.41 C#CC1CCCCN1CC=O 269982a_200020621307_200015260668 [0,1,0,1,0,0|0,0,2]=4 21330 B11R1.41 C#CC1CCCCN1CC=O 34a_200020621307_200009817547 [0,1,0,1,0,0|0,0,2]=4 21331 B11R1.41 C#CC1CCCCN1CCC 2230a_200020621307_100000210303 [0,1,0,1,0,0|1,0,1]=4 21332 B11R1.41 C#CC1CCCCN1CCC 269982a_200020621307_100000210303 [0,1,0,1,0,0|1,0,1]=4 21333 B11R1.41 C#CC1CCCCN1CCC 34a_200020621307_100000210303 [0,1,0,1,0,0|1,0,1]=4 21334 B11R1.41 C#CCN1CCCCC1CC 2230a_100000210034_100000038162 [0,1,0,1,0,0|1,0,1]=4 21335 B11R1.41 C#CCN1CCCCC1CC 34a_100000210034_100000184674 [0,1,0,1,0,0|1,0,1]=4 21336 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,1,0,1,0,0|1,0,0]=3 21337 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,1,0,1,0,0|1,0,0]=3 21338 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [0,1,0,1,0,0|1,0,0]=3 21339 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [0,1,0,1,0,0|1,0,0]=3 21340 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [0,1,0,1,0,0|1,0,0]=3 21341 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [0,1,0,1,0,0|2,0,0]=4 21342 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [0,1,0,1,0,0|2,0,0]=4 21343 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [0,1,0,1,0,0|2,0,0]=4 21344 B11R1.41 C=CCN1CCOC[C@@H]1CC 2230a_100016988097_100000210623 [0,1,0,1,0,0|2,0,0]=4 21345 B11R1.41 C=CCN1CCOC[C@@H]1CC 269982a_100016988097_100000210623 [0,1,0,1,0,0|2,0,0]=4 21346 B11R1.41 C=CCN1CCOC[C@@H]1CC 34a_100016988097_100015514636 [0,1,0,1,0,0|2,0,0]=4 21347 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [0,1,0,1,0,0|1,0,1]=4 21348 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [0,1,0,1,0,0|1,0,1]=4 21349 B11R1.41 CCC1CCCCN1CC#N 2230a_100000210034_100011215382 [0,1,0,1,0,0|1,0,1]=4 21350 B11R1.41 CCC1CCCCN1CC#N 269982a_100000210034_100011214920 [0,1,0,1,0,0|1,0,1]=4 21351 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,1,0,1,0,0|0,0,0]=2 21352 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,1,0,1,0,0|0,0,0]=2 21353 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,1,0,1,0,0|0,0,0]=2 21354 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [0,1,0,1,0,0|1,0,1]=4 21355 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [0,1,0,1,0,0|1,0,1]=4 21356 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [0,1,0,1,0,0|1,0,1]=4 21357 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 21358 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 21359 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 21360 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [0,1,0,1,0,0|2,0,0]=4 21361 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [0,1,0,1,0,0|2,0,0]=4 21362 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [0,1,0,1,0,0|2,0,0]=4 21363 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [0,1,0,1,0,0|2,0,0]=4 21364 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [0,1,0,1,0,0|2,0,0]=4 21365 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [0,1,0,1,0,0|1,0,1]=4 21366 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [0,1,0,1,0,0|1,0,1]=4 21367 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|0,0,2]=4 21368 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|0,0,2]=4 21369 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|0,0,2]=4 21370 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|0,0,2]=4 21371 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [0,1,0,1,0,0|1,0,1]=4 21372 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [0,1,0,1,0,0|1,0,1]=4 21373 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [0,1,0,1,0,0|1,0,1]=4 21374 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [0,1,0,1,0,0|1,0,1]=4 21375 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [0,1,0,1,0,0|1,0,1]=4 21376 B11R1.41 CCCN1CCCCC1C#N 34a_100016989756_100000210303 [0,1,0,1,0,0|1,0,1]=4 21377 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [0,1,0,1,0,0|1,0,1]=4 21378 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [0,1,0,1,0,0|1,0,1]=4 21379 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [0,1,0,1,0,0|1,0,1]=4 21380 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 21381 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 21382 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 21383 B11R1.41 CCN1CCCCC1CC#N 2230a_100000133382_100000210202 [0,1,0,1,0,0|1,0,1]=4 21384 B11R1.41 CCN1CCCCC1CC#N 34a_100000133382_100000210202 [0,1,0,1,0,0|1,0,1]=4 21385 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,1,0,1,0,0|0,0,2]=4 21386 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,1,0,1,0,0|0,0,2]=4 21387 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,1,0,1,0,0|0,0,2]=4 21388 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [0,1,0,1,0,0|2,0,0]=4 21389 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [0,1,0,1,0,0|2,0,0]=4 21390 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [0,1,0,1,0,0|2,0,0]=4 21391 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [0,1,0,1,0,0|2,0,0]=4 21392 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,1,0,1,0,0|2,0,0]=4 21393 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,1,0,1,0,0|2,0,0]=4 21394 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,1,0,1,0,0|2,0,0]=4 21395 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,1,0,1,0,0|2,0,0]=4 21396 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,1,0,1,0,0|2,0,0]=4 21397 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,1,0,1,0,0|2,0,0]=4 21398 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,1,0,1,0,0|2,0,0]=4 21399 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,1,0,1,0,0|1,0,1]=4 21400 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,1,0,1,0,0|1,0,1]=4 21401 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,1,0,1,0,0|0,0,2]=4 21402 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,1,0,1,0,0|2,0,0]=4 21403 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,1,0,1,0,0|2,0,0]=4 21404 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,1,0,1,0,0|1,0,1]=4 21405 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,1,0,1,0,0|1,0,1]=4 21406 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [0,1,0,1,0,0|1,0,1]=4 21407 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [0,1,0,1,0,0|2,0,0]=4 21408 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [0,1,0,1,0,0|2,0,0]=4 21409 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,1,0,1,0,0|2,0,0]=4 21410 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,1,0,1,0,0|2,0,0]=4 21411 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [0,1,0,1,0,0|1,0,0]=3 21412 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [0,1,0,1,0,0|1,0,0]=3 21413 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [0,1,0,1,0,0|1,0,0]=3 21414 B11R1.41 CNC1CCCCC1CC#N 270004a_106832991635_100009866218 [0,1,0,1,0,0|1,0,1]=4 21415 B11R1.41 N#CC1CCCCN1CC=O 34a_100016989756_200009817547 [0,1,0,1,0,0|1,0,1]=4 21416 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,1,0,1,0,0|1,0,0]=3 21417 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,1,0,1,0,0|1,0,0]=3 21418 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,1,0,1,0,0|1,0,0]=3 21419 B11R1.41 O=CCN1CCOC[C@H]1CO 2230a_100000717676_200015260668 [0,1,0,1,0,0|2,0,0]=4 21420 B11R1.41 O=CCN1CCOC[C@H]1CO 269982a_100000717676_200015260668 [0,1,0,1,0,0|2,0,0]=4 21421 B11R1.41 O=CCN1CCOC[C@H]1CO 34a_100000717676_200009817547 [0,1,0,1,0,0|2,0,0]=4 21422 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [0,1,0,1,0,0|1,0,1]=4 21423 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [0,1,0,1,0,0|1,0,1]=4 21424 B11R1.47 C#CCCCCCN1CCC1 269982a_100000754969_100012094781 [0,1,0,1,0,0|1,0,1]=4 21425 B11R1.47 C#CCCCCNC1CCC1 2230a_100000749019_100010269958 [0,1,0,1,0,0|1,0,1]=4 21426 B11R1.47 C#CCCCCNC1CCC1 34a_100000706060_100000749161 [0,1,0,1,0,0|1,0,1]=4 21427 B11R1.47 C#CCCCCNC1CCC1 34a_100000749019_100010269958 [0,1,0,1,0,0|1,0,1]=4 21428 B11R1.47 C#CCCCCOC1CCC1 34a_100000748187_100010269958 [0,1,0,1,0,0|1,0,1]=4 21429 B11R1.47 C#CCCCCOC1CCC1 34a_100000766709_100000749161 [0,1,0,1,0,0|1,0,1]=4 21430 B11R1.47 C#CCCCCSC1CCC1 62a_100010269958_100000749161 [0,1,0,1,0,0|1,0,1]=4 21431 B11R1.47 C#CCCCNCC1CCC1 2230a_100000738700_100000731252 [0,1,0,1,0,0|1,0,1]=4 21432 B11R1.47 C#CCCCNCC1CCC1 34a_100000718082_100000763275 [0,1,0,1,0,0|1,0,1]=4 21433 B11R1.47 C#CCCCNCC1CCC1 34a_100000738700_100000695029 [0,1,0,1,0,0|1,0,1]=4 21434 B11R1.47 C#CCCCOCC1CCC1 34a_100000215630_100000763275 [0,1,0,1,0,0|1,0,1]=4 21435 B11R1.47 C#CCCCOCC1CCC1 34a_100000760304_100000695029 [0,1,0,1,0,0|1,0,1]=4 21436 B11R1.47 C#CCCCOCC1CCC1 7a_100000215630_100000763275 [0,1,0,1,0,0|1,0,1]=4 21437 B11R1.47 C#CCCCSCC1CCC1 62a_100000763275_100011215417 [0,1,0,1,0,0|1,0,1]=4 21438 B11R1.47 C#CCCCSCC1CCC1 62a_100011215417_100000763275 [0,1,0,1,0,0|1,0,1]=4 21439 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [0,1,0,1,0,0|1,0,1]=4 21440 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [0,1,0,1,0,0|1,0,0]=3 21441 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [0,1,0,1,0,0|1,0,0]=3 21442 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [0,1,0,1,0,0|1,0,0]=3 21443 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [0,1,0,1,0,0|1,0,0]=3 21444 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [0,1,0,1,0,0|1,0,0]=3 21445 B11R1.47 C=CCCCCNC1COC1 2230a_100016991112_100011215482 [0,1,0,1,0,0|2,0,0]=4 21446 B11R1.47 C=CCCCCNC1COC1 34a_100000703577_100009818527 [0,1,0,1,0,0|2,0,0]=4 21447 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [0,1,0,1,0,0|1,0,0]=3 21448 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [0,1,0,1,0,0|1,0,0]=3 21449 B11R1.47 C=CCCCCOC1COC1 34a_100000766645_100009818527 [0,1,0,1,0,0|2,0,0]=4 21450 B11R1.47 C=CCCCCOC1COC1 7a_100000766645_100009818527 [0,1,0,1,0,0|2,0,0]=4 21451 B11R1.47 C=CCCCCOC1CSC1 7a_100000072292_100011215482 [0,1,0,1,0,0|2,0,0]=4 21452 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [0,1,0,1,0,0|1,0,0]=3 21453 B11R1.47 C=CCCCCSC1COC1 62a_100011215482_100009818527 [0,1,0,1,0,0|2,0,0]=4 21454 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [0,1,0,1,0,0|1,0,0]=3 21455 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [0,1,0,1,0,0|1,0,0]=3 21456 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [0,1,0,1,0,0|1,0,0]=3 21457 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [0,1,0,1,0,0|1,0,0]=3 21458 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [0,1,0,1,0,0|1,0,0]=3 21459 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [0,1,0,1,0,0|2,0,0]=4 21460 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [0,1,0,1,0,0|2,0,0]=4 21461 B11R1.47 C=CCCCNCC1COC1 2230a_100000700776_100010264016 [0,1,0,1,0,0|2,0,0]=4 21462 B11R1.47 C=CCCCNCC1COC1 2230a_100015281925_100011713584 [0,1,0,1,0,0|2,0,0]=4 21463 B11R1.47 C=CCCCNCC1COC1 34a_100000700776_100010264016 [0,1,0,1,0,0|2,0,0]=4 21464 B11R1.47 C=CCCCNCC1COC1 34a_100015281925_100000757094 [0,1,0,1,0,0|2,0,0]=4 21465 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [0,1,0,1,0,0|2,0,0]=4 21466 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [0,1,0,1,0,0|2,0,0]=4 21467 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [0,1,0,1,0,0|1,0,0]=3 21468 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [0,1,0,1,0,0|1,0,0]=3 21469 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [0,1,0,1,0,0|1,0,0]=3 21470 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [0,1,0,1,0,0|2,0,0]=4 21471 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [0,1,0,1,0,0|2,0,0]=4 21472 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [0,1,0,1,0,0|2,0,0]=4 21473 B11R1.47 C=CCCCOCC1CNC1 34a_100016987283_100000757094 [0,1,0,1,0,0|2,0,0]=4 21474 B11R1.47 C=CCCCOCC1COC1 34a_100000060846_100000757094 [0,1,0,1,0,0|2,0,0]=4 21475 B11R1.47 C=CCCCOCC1COC1 34a_100000758997_100010264016 [0,1,0,1,0,0|2,0,0]=4 21476 B11R1.47 C=CCCCOCC1COC1 7a_100000758997_100010264016 [0,1,0,1,0,0|2,0,0]=4 21477 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [0,1,0,1,0,0|1,0,0]=3 21478 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [0,1,0,1,0,0|1,0,0]=3 21479 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [0,1,0,1,0,0|2,0,0]=4 21480 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [0,1,0,1,0,0|2,0,0]=4 21481 B11R1.47 C=CCCCSCC1COC1 62a_100010264016_100000757094 [0,1,0,1,0,0|2,0,0]=4 21482 B11R1.47 C=CCCCSCC1COC1 62a_100011713584_100010264016 [0,1,0,1,0,0|2,0,0]=4 21483 B11R1.47 C=CCCOCCC1COC1 34a_100009855314_100000754431 [0,1,0,1,0,0|2,0,0]=4 21484 B11R1.47 C=CCOCCOC1CCC1 34a_100000037705_100000749161 [0,1,0,1,0,0|2,0,0]=4 21485 B11R1.47 C=COCCCNC1CCC1 270004a_100000210767_100000241760 [0,1,0,1,0,0|2,0,0]=4 21486 B11R1.47 C=COCCCNC1CCC1 34a_100000210767_100000749161 [0,1,0,1,0,0|2,0,0]=4 21487 B11R1.47 C=COCCNCC1CCC1 2230a_100000738700_100000039644 [0,1,0,1,0,0|2,0,0]=4 21488 B11R1.47 C=COCCNCC1CCC1 34a_100000738700_100000039644 [0,1,0,1,0,0|2,0,0]=4 21489 B11R1.47 C=COCCOCC1CCC1 34a_100000033082_100000763275 [0,1,0,1,0,0|2,0,0]=4 21490 B11R1.47 C=COCCOCC1CCC1 34a_100000760304_100000039644 [0,1,0,1,0,0|2,0,0]=4 21491 B11R1.47 C=COCCSCC1CCC1 62a_100000039644_100000763275 [0,1,0,1,0,0|2,0,0]=4 21492 B11R1.47 C=COCCSCC1CCC1 62a_100000763275_100000039644 [0,1,0,1,0,0|2,0,0]=4 21493 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [0,1,0,1,0,0|1,0,1]=4 21494 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,1,0,1,0,0|1,0,1]=4 21495 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,1,0,1,0,0|1,0,1]=4 21496 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,1,0,1,0,0|1,0,1]=4 21497 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,1,0,1,0,0|1,0,1]=4 21498 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,1,0,1,0,0|2,0,0]=4 21499 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,1,0,1,0,0|1,0,1]=4 21500 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,1,0,1,0,0|1,0,1]=4 21501 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|2,0,0]=4 21502 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|2,0,0]=4 21503 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,1,0,1,0,0|2,0,0]=4 21504 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,1,0,1,0,0|1,0,1]=4 21505 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,1,0,1,0,0|2,0,0]=4 21506 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,1,0,1,0,0|1,0,1]=4 21507 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,1,0,1,0,0|1,0,1]=4 21508 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,1,0,1,0,0|1,0,1]=4 21509 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,1,0,1,0,0|1,0,1]=4 21510 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|0,0,2]=4 21511 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,1,0,1,0,0|2,0,0]=4 21512 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,1,0,1,0,0|2,0,0]=4 21513 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,1,0,1,0,0|2,0,0]=4 21514 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|0,0,2]=4 21515 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|0,0,2]=4 21516 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,1,0,1,0,0|1,0,1]=4 21517 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,1,0,1,0,0|1,0,1]=4 21518 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,1,0,1,0,0|1,0,1]=4 21519 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|0,0,2]=4 21520 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 21521 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 21522 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,1,0,1,0,0|2,0,0]=4 21523 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,1,0,1,0,0|2,0,0]=4 21524 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,1,0,1,0,0|2,0,0]=4 21525 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,1,0,1,0,0|2,0,0]=4 21526 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,1,0,1,0,0|1,0,1]=4 21527 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,1,0,1,0,0|1,0,1]=4 21528 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|0,0,2]=4 21529 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|0,0,2]=4 21530 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,1,0,1,0,0|2,0,0]=4 21531 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,1,0,1,0,0|2,0,0]=4 21532 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,1,0,1,0,0|2,0,0]=4 21533 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [0,1,0,1,0,0|2,0,0]=4 21534 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [0,1,0,1,0,0|2,0,0]=4 21535 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [0,1,0,1,0,0|2,0,0]=4 21536 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [0,1,0,1,0,0|2,0,0]=4 21537 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [0,1,0,1,0,0|2,0,0]=4 21538 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [0,1,0,1,0,0|2,0,0]=4 21539 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,1,0,1,0,0|2,0,0]=4 21540 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,1,0,1,0,0|2,0,0]=4 21541 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,1,0,1,0,0|2,0,0]=4 21542 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,1,0,1,0,0|2,0,0]=4 21543 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,1,0,1,0,0|2,0,0]=4 21544 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,1,0,1,0,0|2,0,0]=4 21545 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,1,0,1,0,0|2,0,0]=4 21546 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,1,0,1,0,0|2,0,0]=4 21547 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [0,1,0,1,0,0|2,0,0]=4 21548 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [0,1,0,1,0,0|2,0,0]=4 21549 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [0,1,0,1,0,0|2,0,0]=4 21550 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [0,1,0,1,0,0|2,0,0]=4 21551 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [0,1,0,1,0,0|2,0,0]=4 21552 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [0,1,0,1,0,0|1,0,1]=4 21553 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [0,1,0,1,0,0|1,0,1]=4 21554 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [0,1,0,1,0,0|1,0,1]=4 21555 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,1,0,1,0,0|1,0,1]=4 21556 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [0,1,0,1,0,0|1,0,1]=4 21557 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [0,1,0,1,0,0|1,0,1]=4 21558 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [0,1,0,1,0,0|1,0,1]=4 21559 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [0,1,0,1,0,0|1,0,1]=4 21560 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [0,1,0,1,0,0|1,0,1]=4 21561 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [0,1,0,1,0,0|1,0,1]=4 21562 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [0,1,0,1,0,0|1,0,1]=4 21563 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [0,1,0,1,0,0|1,0,1]=4 21564 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [0,1,0,1,0,0|1,0,1]=4 21565 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [0,1,0,1,0,0|1,0,1]=4 21566 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [0,1,0,1,0,0|1,0,1]=4 21567 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [0,1,0,1,0,0|1,0,1]=4 21568 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [0,1,0,1,0,0|1,0,1]=4 21569 B11R1.47 N#CCCCCCN1CCC1 269982a_100000754969_100009813376 [0,1,0,1,0,0|1,0,1]=4 21570 B11R1.47 N#CCCCCNC1CCC1 2230a_100000749019_100000211819 [0,1,0,1,0,0|1,0,1]=4 21571 B11R1.47 N#CCCCCNC1CCC1 270004a_100000751965_100000241760 [0,1,0,1,0,0|1,0,1]=4 21572 B11R1.47 N#CCCCCSC1CCC1 62a_100011219923_100000749161 [0,1,0,1,0,0|1,0,1]=4 21573 B11R1.47 N#CCCCNCC1CCC1 2230a_100000738700_100000687738 [0,1,0,1,0,0|1,0,1]=4 21574 B11R1.47 N#CCCCSCC1CCC1 62a_100000687738_100000763275 [0,1,0,1,0,0|1,0,1]=4 21575 B11R1.47 N#CCCCSCC1CCC1 62a_100000763275_100000687738 [0,1,0,1,0,0|1,0,1]=4 21576 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|1,0,1]=4 21577 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|1,0,1]=4 21578 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [0,1,0,1,0,0|0,0,0]=2 21579 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,1,0,1,0,0|0,0,0]=2 21580 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [0,1,0,1,0,0|1,0,0]=3 21581 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [0,1,0,1,0,0|1,0,0]=3 21582 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,1,0,1,0,0|0,0,0]=2 21583 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [0,1,0,1,0,0|1,0,0]=3 21584 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,1,0,1,0,0|0,0,0]=2 21585 B11R1.47 O=CCCCNCC1COC1 2230a_100015281925_200011292268 [0,1,0,1,0,0|1,0,0]=3 21586 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,1,0,1,0,0|1,0,0]=3 21587 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,1,0,1,0,0|0,0,0]=2 21588 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,1,0,1,0,0|0,0,0]=2 21589 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,1,0,1,0,0|1,0,0]=3 21590 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,1,0,1,0,0|1,0,0]=3 21591 B11R1.47 O=CCCCSCC1COC1 62a_100010264016_200011292268 [0,1,0,1,0,0|1,0,0]=3 21592 B11R1.47 O=CCCCSCC1COC1 62a_200011292268_100010264016 [0,1,0,1,0,0|1,0,0]=3 21593 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,1,0,1,0,0|0,0,2]=4 21594 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,1,0,1,0,0|0,0,2]=4 21595 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,1,0,1,0,0|0,0,2]=4 21596 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,1,0,1,0,0|0,0,2]=4 21597 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|0,0,2]=4 21598 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,1,0,1,0,0|0,0,2]=4 21599 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,1,0,1,0,0|0,0,2]=4 21600 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,1,0,1,0,0|0,0,2]=4 21601 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,1,0,1,0,0|0,0,2]=4 21602 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,1,0,1,0,0|0,0,2]=4 21603 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,1,0,1,0,0|0,0,2]=4 21604 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|0,0,2]=4 21605 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,1,0,1,0,0|0,0,2]=4 21606 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,1,0,1,0,0|0,0,2]=4 21607 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,1,0,1,0,0|0,0,2]=4 21608 B11R1.109 C=CCN1CCC[C@H]1COC 2230a_100020646714_100000210623 [0,1,0,1,0,0|2,0,0]=4 21609 B11R1.109 C=CCN1CCC[C@H]1COC 269982a_100020646714_100000210623 [0,1,0,1,0,0|2,0,0]=4 21610 B11R1.109 C=CCN1CCC[C@H]1COC 34a_100020646714_100015514636 [0,1,0,1,0,0|2,0,0]=4 21611 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [0,1,0,1,0,0|1,0,1]=4 21612 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [0,1,0,1,0,0|1,0,1]=4 21613 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [0,1,0,1,0,0|2,0,0]=4 21614 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [0,1,0,1,0,0|2,0,0]=4 21615 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [0,1,0,1,0,0|2,0,0]=4 21616 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [0,1,0,1,0,0|2,0,0]=4 21617 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [0,1,0,1,0,0|2,0,0]=4 21618 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [0,1,0,1,0,0|2,0,0]=4 21619 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [0,1,0,1,0,0|2,0,0]=4 21620 B11R1.109 COC[C@@H]1CCCN1CC=O 2230a_100020646714_200015260668 [0,1,0,1,0,0|1,0,0]=3 21621 B11R1.109 COC[C@@H]1CCCN1CC=O 269982a_100020646714_200015260668 [0,1,0,1,0,0|1,0,0]=3 21622 B11R1.109 COC[C@@H]1CCCN1CC=O 34a_100020646714_200009817547 [0,1,0,1,0,0|1,0,0]=3 21623 B11R1.190 C#CCCCCN1CCC1C 269982a_100000755817_100010269958 [0,1,0,1,0,0|1,0,1]=4 21624 B11R1.190 C#CCCCCN1CCC1C 34a_100000755817_100010269958 [0,1,0,1,0,0|1,0,1]=4 21625 B11R1.190 C#CCCCNC1CCC1=O 34a_100000718082_100009892977 [0,1,0,1,0,0|0,0,2]=4 21626 B11R1.190 C#CCCCOC1CCC1=O 34a_100000215630_100009892977 [0,1,0,1,0,0|0,0,2]=4 21627 B11R1.190 C#CCCCOC1CCC1=O 7a_100000215630_100009892977 [0,1,0,1,0,0|0,0,2]=4 21628 B11R1.190 C#CCCCSC1CCC1=O 62a_100009892977_100011215417 [0,1,0,1,0,0|0,0,2]=4 21629 B11R1.190 C#CCCCSC1CCC1=O 62a_100011215417_100009892977 [0,1,0,1,0,0|0,0,2]=4 21630 B11R1.190 C#CCSCCC1CCC1=O 62a_100000038162_200016118888 [0,1,0,1,0,0|0,0,2]=4 21631 B11R1.190 C/C=C/CCOC1CCC1=O 34a_100016278192_100009892977 [0,1,0,1,0,0|0,0,2]=4 21632 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [0,1,0,1,0,0|1,0,0]=3 21633 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [0,1,0,1,0,0|1,0,0]=3 21634 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [0,1,0,1,0,0|0,0,2]=4 21635 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [0,1,0,1,0,0|0,0,2]=4 21636 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [0,1,0,1,0,0|0,0,2]=4 21637 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [0,1,0,1,0,0|0,0,2]=4 21638 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [0,1,0,1,0,0|0,0,2]=4 21639 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [0,1,0,1,0,0|0,0,2]=4 21640 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [0,1,0,1,0,0|0,0,2]=4 21641 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [0,1,0,1,0,0|0,0,2]=4 21642 B11R1.190 CC#CCCOC1CCC1=O 34a_100000750427_100009892977 [0,1,0,1,0,0|0,0,2]=4 21643 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,1,0,1,0,0|0,0,2]=4 21644 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,1,0,1,0,0|0,0,2]=4 21645 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,1,0,1,0,0|0,0,2]=4 21646 B11R1.190 CC1CCN1CCCCC#N 269982a_100000755817_100011219923 [0,1,0,1,0,0|1,0,1]=4 21647 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,1,0,1,0,0|0,0,0]=2 21648 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [0,1,0,1,0,0|1,0,1]=4 21649 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [0,1,0,1,0,0|1,0,1]=4 21650 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,1,0,1,0,0|0,0,2]=4 21651 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,1,0,1,0,0|0,0,2]=4 21652 B11R1.190 CCC#CCOC1CCC1=O 34a_100000032950_100009892977 [0,1,0,1,0,0|0,0,2]=4 21653 B11R1.190 CCC#CCSC1CCC1=O 62a_100009813939_100009892977 [0,1,0,1,0,0|0,0,2]=4 21654 B11R1.190 CCC#CCSC1CCC1=O 62a_100009892977_100009813939 [0,1,0,1,0,0|0,0,2]=4 21655 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,1,0,1,0,0|1,0,1]=4 21656 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,1,0,1,0,0|1,0,1]=4 21657 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|0,0,0]=2 21658 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|0,0,0]=2 21659 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|0,0,0]=2 21660 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|0,0,0]=2 21661 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|0,0,0]=2 21662 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|0,0,0]=2 21663 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,1,0,1,0,0|1,0,0]=3 21664 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,1,0,1,0,0|1,0,0]=3 21665 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,1,0,1,0,0|1,0,0]=3 21666 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,1,0,1,0,0|1,0,0]=3 21667 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,1,0,1,0,0|1,0,0]=3 21668 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,1,0,1,0,0|1,0,0]=3 21669 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,1,0,1,0,0|1,0,0]=3 21670 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,1,0,1,0,0|1,0,0]=3 21671 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,1,0,1,0,0|1,0,0]=3 21672 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,1,0,1,0,0|1,0,0]=3 21673 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [0,1,0,1,0,0|2,0,0]=4 21674 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [0,1,0,1,0,0|2,0,0]=4 21675 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,1,0,1,0,0|1,0,0]=3 21676 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,1,0,1,0,0|1,0,0]=3 21677 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,1,0,1,0,0|1,0,0]=3 21678 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,1,0,1,0,0|1,0,0]=3 21679 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,1,0,1,0,0|1,0,0]=3 21680 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,1,0,1,0,0|1,0,0]=3 21681 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,1,0,1,0,0|1,0,0]=3 21682 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,1,0,1,0,0|1,0,0]=3 21683 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,1,0,1,0,0|1,0,0]=3 21684 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,1,0,1,0,0|1,0,0]=3 21685 B11R1.190 N#CCCCSC1CCC1=O 62a_100000687738_100009892977 [0,1,0,1,0,0|1,0,1]=4 21686 B11R1.190 N#CCCCSC1CCC1=O 62a_100009892977_100000687738 [0,1,0,1,0,0|1,0,1]=4 21687 B11R1.190 N#CCSCCC1CCC1=O 62a_100011215382_200016118888 [0,1,0,1,0,0|1,0,1]=4 21688 B11R1.190 N#CCSCCC1CCC1=O 62a_200016118888_100011215382 [0,1,0,1,0,0|1,0,1]=4 21689 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,0]=3 21690 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|1,0,0]=3 21691 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,1,0,1,0,0|1,0,0]=3 21692 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,1,0,1,0,0|1,0,0]=3 21693 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|1,0,0]=3 21694 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|1,0,0]=3 21695 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,0]=3 21696 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,1,0,1,0,0|1,0,0]=3 21697 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,1,0,1,0,0|1,0,0]=3 21698 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,1,0,1,0,0|1,0,0]=3 21699 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,1,0,1,0,0|1,0,0]=3 21700 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,1,0,1,0,0|1,0,0]=3 21701 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,1,0,1,0,0|1,0,0]=3 21702 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,1,0,1,0,0|1,0,0]=3 21703 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,1,0,1,0,0|1,0,0]=3 21704 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|1,0,0]=3 21705 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|1,0,0]=3 21706 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,1,0,1,0,0|1,0,1]=4 21707 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,1,0,1,0,0|1,0,1]=4 21708 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,1,0,1,0,0|1,0,1]=4 21709 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,1,0,1,0,0|1,0,1]=4 21710 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,1,0,1,0,0|1,0,1]=4 21711 B11R1.203 C#CCCN1CCCCCC1 2230a_100000185865_100000688953 [0,1,0,1,0,0|1,0,1]=4 21712 B11R1.203 C#CCCN1CCCCCC1 269982a_100000185865_100000730999 [0,1,0,1,0,0|1,0,1]=4 21713 B11R1.203 C#CCCN1CCCCCC1 34a_100000185865_100000688953 [0,1,0,1,0,0|1,0,1]=4 21714 B11R1.203 C#CCNC1CCCCCC1 2230a_100000210984_100000038162 [0,1,0,1,0,0|1,0,1]=4 21715 B11R1.203 C#CCNC1CCCCCC1 34a_100000210984_100000184674 [0,1,0,1,0,0|1,0,1]=4 21716 B11R1.203 C#CCNC1CCCCCC1 34a_100000212058_100011217769 [0,1,0,1,0,0|1,0,1]=4 21717 B11R1.203 C#CCOC1CCCCCC1 34a_100000210247_100011217769 [0,1,0,1,0,0|1,0,1]=4 21718 B11R1.203 C#CCOC1CCCCCC1 34a_100000210887_100000184674 [0,1,0,1,0,0|1,0,1]=4 21719 B11R1.203 C#CCOC1CCCCCC1 7a_100000210887_100000038162 [0,1,0,1,0,0|1,0,1]=4 21720 B11R1.203 C#CCSC1CCCCCC1 62a_100000038162_100011217769 [0,1,0,1,0,0|1,0,1]=4 21721 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [0,1,0,1,0,0|1,0,1]=4 21722 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [0,1,0,1,0,0|1,0,1]=4 21723 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [0,1,0,1,0,0|1,0,0]=3 21724 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [0,1,0,1,0,0|1,0,0]=3 21725 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [0,1,0,1,0,0|1,0,0]=3 21726 B11R1.203 C=CCCN1CCCOCC1 2230a_100000685342_100000754431 [0,1,0,1,0,0|2,0,0]=4 21727 B11R1.203 C=CCCN1CCCOCC1 269982a_100000685342_100000754431 [0,1,0,1,0,0|2,0,0]=4 21728 B11R1.203 C=CCCN1CCCOCC1 34a_100000685342_100000754431 [0,1,0,1,0,0|2,0,0]=4 21729 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,1,0,1,0,0|1,0,0]=3 21730 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,1,0,1,0,0|1,0,0]=3 21731 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,1,0,1,0,0|1,0,0]=3 21732 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [0,1,0,1,0,0|2,0,0]=4 21733 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,1,0,1,0,0|1,0,0]=3 21734 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,1,0,1,0,0|1,0,0]=3 21735 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,1,0,1,0,0|1,0,0]=3 21736 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,1,0,1,0,0|1,0,0]=3 21737 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,1,0,1,0,0|1,0,0]=3 21738 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [0,1,0,1,0,0|1,0,1]=4 21739 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [0,1,0,1,0,0|1,0,1]=4 21740 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [0,1,0,1,0,0|1,0,1]=4 21741 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [0,1,0,1,0,0|1,0,1]=4 21742 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [0,1,0,1,0,0|1,0,1]=4 21743 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,1,0,1,0,0|1,0,1]=4 21744 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,1,0,1,0,0|1,0,1]=4 21745 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,1,0,1,0,0|1,0,1]=4 21746 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,1,0,1,0,0|1,0,1]=4 21747 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,1,0,1,0,0|1,0,1]=4 21748 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,1,0,1,0,0|1,0,1]=4 21749 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [0,1,0,1,0,0|1,0,1]=4 21750 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [0,1,0,1,0,0|1,0,1]=4 21751 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,1,0,1,0,0|1,0,1]=4 21752 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,1,0,1,0,0|1,0,1]=4 21753 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,1,0,1,0,0|1,0,1]=4 21754 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,1,0,1,0,0|1,0,1]=4 21755 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,1,0,1,0,0|1,0,1]=4 21756 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,1,0,1,0,0|1,0,1]=4 21757 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,1,0,1,0,0|1,0,1]=4 21758 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [0,1,0,1,0,0|1,0,1]=4 21759 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [0,1,0,1,0,0|1,0,1]=4 21760 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [0,1,0,1,0,0|1,0,1]=4 21761 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [0,1,0,1,0,0|1,0,1]=4 21762 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [0,1,0,1,0,0|2,0,0]=4 21763 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [0,1,0,1,0,0|2,0,0]=4 21764 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [0,1,0,1,0,0|2,0,0]=4 21765 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [0,1,0,1,0,0|2,0,0]=4 21766 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [0,1,0,1,0,0|2,0,0]=4 21767 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,1,0,1,0,0|2,0,0]=4 21768 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [0,1,0,1,0,0|2,0,0]=4 21769 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [0,1,0,1,0,0|2,0,0]=4 21770 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [0,1,0,1,0,0|2,0,0]=4 21771 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [0,1,0,1,0,0|2,0,0]=4 21772 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [0,1,0,1,0,0|2,0,0]=4 21773 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [0,1,0,1,0,0|2,0,0]=4 21774 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [0,1,0,1,0,0|2,0,0]=4 21775 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,1,0,1,0,0|2,0,0]=4 21776 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,1,0,1,0,0|2,0,0]=4 21777 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,1,0,1,0,0|2,0,0]=4 21778 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [0,1,0,1,0,0|2,0,0]=4 21779 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [0,1,0,1,0,0|2,0,0]=4 21780 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [0,1,0,1,0,0|1,0,1]=4 21781 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [0,1,0,1,0,0|1,0,1]=4 21782 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [0,1,0,1,0,0|1,0,1]=4 21783 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,1,0,1,0,0|1,0,1]=4 21784 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,1,0,1,0,0|1,0,1]=4 21785 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,1,0,1,0,0|1,0,1]=4 21786 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,1,0,1,0,0|1,0,1]=4 21787 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,1,0,1,0,0|1,0,1]=4 21788 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [0,1,0,1,0,0|1,0,1]=4 21789 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [0,1,0,1,0,0|1,0,1]=4 21790 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,1,0,1,0,0|1,0,1]=4 21791 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [0,1,0,1,0,0|1,0,1]=4 21792 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [0,1,0,1,0,0|1,0,1]=4 21793 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [0,1,0,1,0,0|1,0,1]=4 21794 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [0,1,0,1,0,0|1,0,1]=4 21795 B11R1.203 N#CCCN1CCCCCC1 2230a_100000185865_100011215226 [0,1,0,1,0,0|1,0,1]=4 21796 B11R1.203 N#CCCN1CCCCCC1 269982a_100000185865_100011215226 [0,1,0,1,0,0|1,0,1]=4 21797 B11R1.203 N#CCNC1CCCCCC1 2230a_100000210984_100011215382 [0,1,0,1,0,0|1,0,1]=4 21798 B11R1.203 N#CCOC1CCCCCC1 7a_100000210887_100011215382 [0,1,0,1,0,0|1,0,1]=4 21799 B11R1.203 N#CCSC1CCCCCC1 62a_100011215382_100011217769 [0,1,0,1,0,0|1,0,1]=4 21800 B11R1.203 N#CCSC1CCCCCC1 62a_100011217769_100011215382 [0,1,0,1,0,0|1,0,1]=4 21801 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,1,0,1,0,0|1,0,1]=4 21802 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,1,0,1,0,0|0,0,0]=2 21803 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,1,0,1,0,0|0,0,0]=2 21804 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,1,0,1,0,0|0,0,0]=2 21805 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,1,0,1,0,0|0,0,0]=2 21806 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,1,0,1,0,0|0,0,0]=2 21807 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,1,0,1,0,0|0,0,0]=2 21808 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,1,0,1,0,0|0,0,2]=4 21809 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,1,0,1,0,0|0,0,2]=4 21810 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,1,0,1,0,0|0,0,2]=4 21811 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 21812 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,1,0,0|0,0,2]=4 21813 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 21814 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,1,0,0|0,0,2]=4 21815 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|0,0,2]=4 21816 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|0,0,2]=4 21817 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,1,0,1,0,0|0,0,2]=4 21818 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,1,0,1,0,0|0,0,2]=4 21819 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [0,1,0,1,0,0|1,0,1]=4 21820 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [0,1,0,1,0,0|1,0,1]=4 21821 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [0,1,0,1,0,0|2,0,0]=4 21822 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [0,1,0,1,0,0|2,0,0]=4 21823 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [0,1,0,1,0,0|2,0,0]=4 21824 B11R1.232 C=CCCN1CCC1COC 2230a_100015195929_100000754431 [0,1,0,1,0,0|2,0,0]=4 21825 B11R1.232 C=CCCN1CCC1COC 269982a_100015195929_100000754431 [0,1,0,1,0,0|2,0,0]=4 21826 B11R1.232 C=CCCN1CCC1COC 34a_100015195929_100000754431 [0,1,0,1,0,0|2,0,0]=4 21827 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [0,1,0,1,0,0|2,0,0]=4 21828 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [0,1,0,1,0,0|2,0,0]=4 21829 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [0,1,0,1,0,0|2,0,0]=4 21830 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,1,0,1,0,0|1,0,1]=4 21831 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,1,0,1,0,0|1,0,1]=4 21832 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,1,0,1,0,0|1,0,1]=4 21833 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,1,0,1,0,0|1,0,1]=4 21834 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,1,0,1,0,0|1,0,1]=4 21835 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,1,0,1,0,0|1,0,1]=4 21836 B11R1.1 C=CCCN1CCC(CC1)C 2230a_100000188429_100000754431 [0,1,0,1,0,0|2,0,0]=4 21837 B11R1.1 C=CCCN1CCC(CC1)C 269982a_100000188429_100000754431 [0,1,0,1,0,0|2,0,0]=4 21838 B11R1.1 C=CCCN1CCC(CC1)C 34a_100000188429_100000754431 [0,1,0,1,0,0|2,0,0]=4 21839 B11R1.1 C=CCCN1CCC(CC1)F 2230a_100015193889_100000754431 [0,1,0,1,0,0|2,0,0]=4 21840 B11R1.1 C=CCCN1CCC(CC1)F 269982a_100015193889_100000754431 [0,1,0,1,0,0|2,0,0]=4 21841 B11R1.1 C=CCCN1CCC(CC1)F 34a_100015193889_100000754431 [0,1,0,1,0,0|2,0,0]=4 21842 B11R1.1 C=CCCN1CCC(CC1)O 2230a_100025773856_100000754431 [0,1,0,1,0,0|2,0,0]=4 21843 B11R1.1 C=CCCN1CCC(CC1)O 269982a_100025773856_100000754431 [0,1,0,1,0,0|2,0,0]=4 21844 B11R1.1 C=CCNC1CCC(CC1)C 270004a_100020586998_100000185489 [0,1,0,1,0,0|2,0,0]=4 21845 B11R1.1 C=CCNC1CCC(CC1)O 270004a_100020586998_100000764474 [0,1,0,1,0,0|2,0,0]=4 21846 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210623 [0,1,0,1,0,0|2,0,0]=4 21847 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100015514636 [0,1,0,1,0,0|2,0,0]=4 21848 B11R1.1 C=CCOC1CCC(CC1)C 34a_100000210714_100015514636 [0,1,0,1,0,0|2,0,0]=4 21849 B11R1.1 C=CCOC1CCC(CC1)C 34a_200000210373_200011216234 [0,1,0,1,0,0|2,0,0]=4 21850 B11R1.1 C=CCOC1CCC(CC1)C 7a_100000210714_100015514636 [0,1,0,1,0,0|2,0,0]=4 21851 B11R1.1 C=CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100015514636 [0,1,0,1,0,0|2,0,0]=4 21852 B11R1.1 C=CCSC1CCC(CC1)C 62a_100000210623_200011216234 [0,1,0,1,0,0|2,0,0]=4 21853 B11R1.1 CC1CCC(CC1)OCC=O 34a_100000210714_200009817547 [0,1,0,1,0,0|1,0,0]=3 21854 B11R1.1 CC1CCC(CC1)OCC=O 7a_100000210714_200015260668 [0,1,0,1,0,0|1,0,0]=3 21855 B11R1.1 CC1CCC(CC1)SCC=O 62a_200015260668_200011216234 [0,1,0,1,0,0|1,0,0]=3 21856 B11R1.1 CN1CCC(CC1)SCC=O 62a_200015260668_100011215917 [0,1,0,1,0,0|2,0,0]=4 21857 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,1,0,1,0,0|2,0,0]=4 21858 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,1,0,1,0,0|2,0,0]=4 21859 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [0,1,0,1,0,0|1,0,0]=3 21860 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [0,1,0,1,0,0|1,0,0]=3 21861 B11R1.1 N[C@H]1CC[C@H](CC1)OCC=O 34a_100020628982_200009817547 [0,1,0,1,0,0|1,0,0]=3 21862 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,1,0,1,0,0|1,0,1]=4 21863 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,1,0,1,0,0|1,0,1]=4 21864 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,1,0,1,0,0|2,0,0]=4 21865 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,1,0,1,0,0|2,0,0]=4 21866 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,1,0,1,0,0|1,0,1]=4 21867 B11R1.25 C=CC(C)COC1CCCC1 34a_100011215527_100000179811 [0,1,0,1,0,0|2,0,0]=4 21868 B11R1.25 C=CC(C)COC1CCCC1 7a_100011215527_100000179811 [0,1,0,1,0,0|2,0,0]=4 21869 B11R1.25 C=CC(C)OCC1CCCC1 34a_100000695699_100000740388 [0,1,0,1,0,0|2,0,0]=4 21870 B11R1.25 C=CC(C)SCC1CCCC1 62a_100011215867_100000740388 [0,1,0,1,0,0|2,0,0]=4 21871 B11R1.25 C=CC(O)CNC1CCCC1 2230a_100000211070_100000730141 [0,1,0,1,0,0|2,0,0]=4 21872 B11R1.25 C=CC(O)CNC1CCCC1 34a_100000211070_100000730141 [0,1,0,1,0,0|2,0,0]=4 21873 B11R1.25 C=CC(O)COC1CCCC1 34a_100000210269_100000730141 [0,1,0,1,0,0|2,0,0]=4 21874 B11R1.25 C=CC(O)COC1CCCC1 7a_100000210269_100000730141 [0,1,0,1,0,0|2,0,0]=4 21875 B11R1.25 C=CC(O)CSC1CCCC1 62a_100000730141_100000179811 [0,1,0,1,0,0|2,0,0]=4 21876 B11R1.25 C=CC(O)CSC1CCCC1 62a_100011217020_100000730141 [0,1,0,1,0,0|2,0,0]=4 21877 B11R1.25 C=C[C@H](N)COC1CCCC1 34a_100016989147_100000179811 [0,1,0,1,0,0|2,0,0]=4 21878 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,1,0,1,0,0|1,0,1]=4 21879 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [0,1,0,1,0,0|2,0,0]=4 21880 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [0,1,0,1,0,0|2,0,0]=4 21881 B11R1.40 CCC(C)NC1C=CCCC1 2230a_100000209981_100000751183 [0,1,0,1,0,0|2,0,0]=4 21882 B11R1.40 CCC(C)OC1C=CCCC1 34a_100011215024_100011215416 [0,1,0,1,0,0|2,0,0]=4 21883 B11R1.40 CCC(C)OC1C=CCCC1 7a_100000210228_100000751183 [0,1,0,1,0,0|2,0,0]=4 21884 B11R1.40 CCC(C)SC1C=CCCC1 62a_100000751183_100000758301 [0,1,0,1,0,0|2,0,0]=4 21885 B11R1.40 CCC(C)SC1C=CCCC1 62a_100000758301_100000751183 [0,1,0,1,0,0|2,0,0]=4 21886 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,1,0,1,0,0|2,0,0]=4 21887 B11R1.59 C=CC(C)N1CCCC1CC 269982a_100000754278_100011215867 [0,1,0,1,0,0|2,0,0]=4 21888 B11R1.194 C[C@]1(CCCN1CC=O)CO 2230a_100016195882_200015260668 [0,1,0,1,0,0|2,0,0]=4 21889 B11R1.194 C[C@]1(CCCN1CC=O)CO 269982a_100016195882_200015260668 [0,1,0,1,0,0|2,0,0]=4 21890 B11R1.194 C[C@]1(CCCN1CC=O)CO 34a_100016195882_200009817547 [0,1,0,1,0,0|2,0,0]=4 21891 B11R1.212 CCCOC1CCN(C1=O)C 34a_100000210258_100000755940 [0,1,0,1,0,0|2,0,0]=4 21892 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000210303_100000755940 [0,1,0,1,0,0|2,0,0]=4 21893 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000755940_100000210303 [0,1,0,1,0,0|2,0,0]=4 21894 B11R1.212 CCOCC1CCN(C1=O)C 34a_100009823153_100000210202 [0,1,0,1,0,0|2,0,0]=4 21895 B11R1.214 C=CCNC1CCC(C1)CC 270004a_100020586998_100011218773 [0,1,0,1,0,0|2,0,0]=4 21896 B11R1.214 CCN1CCC(C1)NCC=O 2230a_100015188829_200015260668 [0,1,0,1,0,0|2,0,0]=4 21897 B11R1.214 CCN1CCC(C1)SCC=O 62a_200015260668_200011861547 [0,1,0,1,0,0|2,0,0]=4 21898 B11R1.222 C=CC(C)N1CCCCC1C 269982a_100000211376_100011215867 [0,1,0,1,0,0|2,0,0]=4 21899 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|0,0,1]=3 21900 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|1,0,1]=4 21901 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|1,0,1]=4 21902 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,1,0,1,0,0|1,0,1]=4 21903 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,1,0,1,0,0|1,0,0]=3 21904 B11R1.222 CCN(C)C1CCCNC1=O 2230a_100000225621_100000687798 [0,1,0,1,0,0|2,0,0]=4 21905 B11R1.222 CCN(C)C1CCCNC1=O 269982a_100000225621_100000687798 [0,1,0,1,0,0|2,0,0]=4 21906 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,1,0,1,0,0|1,0,1]=4 21907 B11R1.223 CC(CN)COC1CCC1=O 34a_100000744482_100009892977 [0,1,0,1,0,0|2,0,0]=4 21908 B11R1.223 CC(CO)CNC1CCC1=O 34a_100000744482_100009892977 [0,1,0,1,0,0|2,0,0]=4 21909 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|0,0,1]=3 21910 B11R1.223 CCC(=O)COC1CCC1=O 34a_100000725409_100009892977 [0,1,0,1,0,0|1,0,1]=4 21911 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100000747405_100009892977 [0,1,0,1,0,0|1,0,1]=4 21912 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100009892977_100000747405 [0,1,0,1,0,0|1,0,1]=4 21913 B11R1.223 CCC(C)CSC1CCC1=O 62a_100000748023_100009892977 [0,1,0,1,0,0|1,0,0]=3 21914 B11R1.223 CCC(C)CSC1CCC1=O 62a_100009892977_100000748023 [0,1,0,1,0,0|1,0,0]=3 21915 B11R1.223 CCC(O)CSC1CCC1=O 62a_100009892977_100011218378 [0,1,0,1,0,0|1,0,0]=3 21916 B11R1.223 CCC(O)CSC1CCC1=O 62a_100011218378_100009892977 [0,1,0,1,0,0|1,0,0]=3 21917 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [0,1,0,1,0,0|1,0,0]=3 21918 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [0,1,0,1,0,0|1,0,0]=3 21919 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,1,0,1,0,0|1,0,0]=3 21920 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009816398_100009892977 [0,1,0,1,0,0|1,0,0]=3 21921 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009892977_100009816398 [0,1,0,1,0,0|1,0,0]=3 21922 B11R1.223 COC(C)COC1CCC1=O 34a_100000690652_100009892977 [0,1,0,1,0,0|2,0,0]=4 21923 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100000059175_100009892977 [0,1,0,1,0,0|2,0,0]=4 21924 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100009892977_100000059175 [0,1,0,1,0,0|2,0,0]=4 21925 B11R1.223 NC[C@@H](F)COC1CCC1=O 34a_100015665980_100009892977 [0,1,0,1,0,0|2,0,0]=4 21926 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,1]=4 21927 B11R1.223 O=C1CCC1NC[C@@H](F)CO 34a_100015665980_100009892977 [0,1,0,1,0,0|2,0,0]=4 21928 B11R1.223 O=C1CCC1OCC(Cl)CCl 34a_100000033668_100009892977 [0,1,0,1,0,0|2,0,0]=4 21929 B11R1.223 O=C1CCC1SCC(O)CO 62a_100009892977_100011219619 [0,1,0,1,0,0|2,0,0]=4 21930 B11R1.223 O=C1CCC1SCC(O)CO 62a_100011219619_100009892977 [0,1,0,1,0,0|2,0,0]=4 21931 B11R1.223 O=C1CCC1SC[C@@H](O)CF 62a_100009892977_100015614560 [0,1,0,1,0,0|2,0,0]=4 21932 B11R1.223 O=C1CCC1SC[C@@H](O)CF 62a_100015614560_100009892977 [0,1,0,1,0,0|2,0,0]=4 21933 B11R1.223 O=C1CCC1SC[C@@H](O)CO 62a_100009815848_100009892977 [0,1,0,1,0,0|2,0,0]=4 21934 B11R1.223 O=C1CCC1SC[C@@H](O)CO 62a_100009892977_100009815848 [0,1,0,1,0,0|2,0,0]=4 21935 B11R1.228 C=CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100000730141 [0,1,0,1,0,0|2,0,0]=4 21936 B11R1.228 C=CC(O)CN1CCC[C@H]1C 2230a_100015189458_100000730141 [0,1,0,1,0,0|2,0,0]=4 21937 B11R1.228 C=CC(O)CN1CCC[C@H]1C 34a_100015189458_100000730141 [0,1,0,1,0,0|2,0,0]=4 21938 B11R1.228 CC(CF)OC1CCCC1=O 34a_100016041109_100000709159 [0,1,0,1,0,0|2,0,0]=4 21939 B11R1.228 CC(CF)OC1CCCC1=O 7a_100016041109_100000211823 [0,1,0,1,0,0|2,0,0]=4 21940 B11R1.228 CC(CN)OC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|2,0,0]=4 21941 B11R1.228 CC(CO)OC1CCCC1=O 34a_200000719330_100012180447 [0,1,0,1,0,0|2,0,0]=4 21942 B11R1.228 CC(CO)SC1CCCC1=O 62a_100012180447_100000211823 [0,1,0,1,0,0|2,0,0]=4 21943 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,1,0,0|1,0,1]=4 21944 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,1,0,0|1,0,0]=3 21945 B11R1.228 CCC(C)NC1CCNC1=O 2230a_100016995588_100000758301 [0,1,0,1,0,0|2,0,0]=4 21946 B11R1.228 CCC(C)NC1CCNC1=O 34a_100016995588_100011215416 [0,1,0,1,0,0|2,0,0]=4 21947 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,1,0,0|2,0,0]=4 21948 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,1,0,1,0,0|1,0,0]=3 21949 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,1,0,1,0,0|1,0,0]=3 21950 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,1,0,1,0,0|2,0,0]=4 21951 B11R1.228 CCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215416 [0,1,0,1,0,0|2,0,0]=4 21952 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,1,0,1,0,0|1,0,0]=3 21953 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,1,0,1,0,0|1,0,0]=3 21954 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,1,0,1,0,0|2,0,0]=4 21955 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,1,0,1,0,0|2,0,0]=4 21956 B11R1.228 CCN(C)CN1CCCC1=O 269982a_100000225621_100000026320 [0,1,0,1,0,0|2,0,0]=4 21957 B11R1.228 COC(C)SC1CCCC1=O 62a_100000211823_100009879195 [0,1,0,1,0,0|2,0,0]=4 21958 B11R1.228 COC(C)SC1CCCC1=O 62a_100009879195_100000211823 [0,1,0,1,0,0|2,0,0]=4 21959 B11R1.228 C[C@H](CO)NC1CCCC1=O 2230a_100000737577_100000211823 [0,1,0,1,0,0|2,0,0]=4 21960 B11R1.228 C[C@H](CO)SC1CCCC1=O 62a_100000211823_100016084084 [0,1,0,1,0,0|2,0,0]=4 21961 B11R1.228 C[C@H](CO)SC1CCCC1=O 62a_100016084084_100000211823 [0,1,0,1,0,0|2,0,0]=4 21962 B11R1.235 C=CC(O)COCC1CC1C 34a_100000744939_100000730141 [0,1,0,1,0,0|2,0,0]=4 21963 B11R1.235 C=CC(O)COCC1CC1C 7a_100000744939_100000730141 [0,1,0,1,0,0|2,0,0]=4 21964 B11R1.236 C=CC(C)COCC1CCC1 34a_100011215527_100000763275 [0,1,0,1,0,0|2,0,0]=4 21965 B11R1.236 C=CC(C)COCC1CCC1 7a_100011215527_100000763275 [0,1,0,1,0,0|2,0,0]=4 21966 B11R1.236 C=CC(O)CNCC1CCC1 2230a_100000738700_100000730141 [0,1,0,1,0,0|2,0,0]=4 21967 B11R1.236 C=CC(O)CNCC1CCC1 34a_100000738700_100000730141 [0,1,0,1,0,0|2,0,0]=4 21968 B11R1.236 C=CC(O)COCC1CCC1 34a_100000760304_100000730141 [0,1,0,1,0,0|2,0,0]=4 21969 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000730141_100000763275 [0,1,0,1,0,0|2,0,0]=4 21970 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000763275_100000730141 [0,1,0,1,0,0|2,0,0]=4 21971 B11R1.236 C=C[C@H](N)COCC1CCC1 34a_100016989147_100000763275 [0,1,0,1,0,0|2,0,0]=4 21972 B11R1.237 C=CC(C)COCCC1CC1 34a_100011215527_100000694398 [0,1,0,1,0,0|2,0,0]=4 21973 B11R1.237 C=CC(C)COCCC1CC1 7a_100011215527_100000764125 [0,1,0,1,0,0|2,0,0]=4 21974 B11R1.237 C=CC(O)CNCCC1CC1 34a_100000764129_100000730141 [0,1,0,1,0,0|2,0,0]=4 21975 B11R1.237 C=CC(O)COCCC1CC1 34a_100000754188_100000730141 [0,1,0,1,0,0|2,0,0]=4 21976 B11R1.237 C=CC(O)COCCC1CC1 7a_100000754188_100000730141 [0,1,0,1,0,0|2,0,0]=4 21977 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000730141_100000764125 [0,1,0,1,0,0|2,0,0]=4 21978 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000764125_100000730141 [0,1,0,1,0,0|2,0,0]=4 21979 B11R1.237 C=C[C@H](N)COCCC1CC1 34a_100016989147_100000694398 [0,1,0,1,0,0|2,0,0]=4 21980 B11R1.320 C=CCCCCNC1(CC1)C 2230a_100000757604_100011215482 [0,1,0,1,0,0|2,0,0]=4 21981 B11R1.320 C=CCCCCOC1(CC1)C 7a_100011725673_100011215482 [0,1,0,1,0,0|2,0,0]=4 21982 B11R1.320 C=CCCCNCC1(CC1)C 2230a_100000766693_100011713584 [0,1,0,1,0,0|2,0,0]=4 21983 B11R1.320 C=CCCCNCC1(CC1)O 2230a_100011936951_100011713584 [0,1,0,1,0,0|2,0,0]=4 21984 B11R1.320 C=CCCCOCC1(CC1)C 7a_100000698024_100000757094 [0,1,0,1,0,0|2,0,0]=4 21985 B11R1.320 C=CCCCOCC1(CC1)F 34a_200000703853_100000757094 [0,1,0,1,0,0|2,0,0]=4 21986 B11R1.320 C=CCCCOCC1(CC1)F 7a_200000703853_100000757094 [0,1,0,1,0,0|2,0,0]=4 21987 B11R1.320 CC1(CC1)CNCCCC=O 2230a_100000766693_200011292268 [0,1,0,1,0,0|1,0,0]=3 21988 B11R1.320 CC1(CC1)COCCCC=O 7a_100000698024_200011292268 [0,1,0,1,0,0|1,0,0]=3 21989 B11R1.320 CC1(CC1)NCCCCC=O 2230a_100000757604_100000139335 [0,1,0,1,0,0|1,0,0]=3 21990 B11R1.320 CC1(CC1)OCCCCC=O 7a_100011725673_100000139335 [0,1,0,1,0,0|1,0,0]=3 21991 B11R1.320 CC1(CO1)CSCCCC=O 62a_100000760498_200011292268 [0,1,0,1,0,0|2,0,0]=4 21992 B11R1.320 CC1(CO1)CSCCCC=O 62a_200011292268_100000760498 [0,1,0,1,0,0|2,0,0]=4 21993 B11R1.320 O=CCCCNCC1(CC1)O 2230a_100011936951_200011292268 [0,1,0,1,0,0|1,0,0]=3 21994 B11R1.320 O=CCCCOCC1(CC1)F 7a_200000703853_200011292268 [0,1,0,1,0,0|1,0,0]=3 21995 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 2230a_100159325733_200025704644 [0,1,0,1,0,0|2,0,0]=4 21996 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 34a_100159325733_200025704644 [0,1,0,1,0,0|2,0,0]=4 21997 B11R1.381 CNC1CCCCN(C1=O)C 2230a_100159325733_200000210301 [0,1,0,1,0,0|2,0,0]=4 21998 B11R1.381 CNC1CCCCN(C1=O)C 34a_100159325733_200000210301 [0,1,0,1,0,0|2,0,0]=4 21999 B11R1.757 C=CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011713584 [0,1,0,1,0,0|2,0,0]=4 22000 B11R1.757 C=CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000757094 [0,1,0,1,0,0|2,0,0]=4 22001 B11R1.757 C[C@H]1[C@H](CN1CCCC=O)O 2230a_206633788156_200011292268 [0,1,0,1,0,0|1,0,0]=3 22002 B11R1.757 C[C@H]1[C@H](CN1CCCC=O)O 269982a_206633788156_200011292268 [0,1,0,1,0,0|1,0,0]=3 22003 B11R1.759 C=CCCCN1CC(C1)CC 2230a_100015205115_100011713584 [0,1,0,1,0,0|2,0,0]=4 22004 B11R1.759 C=CCCCN1CC(C1)CC 269982a_100015205115_100000757094 [0,1,0,1,0,0|2,0,0]=4 22005 B11R1.759 CCC1CN(C1)CCCC=O 2230a_100015205115_200011292268 [0,1,0,1,0,0|1,0,0]=3 22006 B11R1.759 CCC1CN(C1)CCCC=O 269982a_100015205115_200011292268 [0,1,0,1,0,0|1,0,0]=3 22007 B11R1.759 COC1CN(C1)CCCC=O 269982a_100000755009_200011292268 [0,1,0,1,0,0|2,0,0]=4 22008 B11R1.759 CSC1CN(C1)CCCC=O 269982a_100016990038_200011292268 [0,1,0,1,0,0|2,0,0]=4 22009 B11R1.759 O=CCCCN1CC(C1)CF 269982a_100010363649_200011292268 [0,1,0,1,0,0|2,0,0]=4 22010 B11R1.759 O=CCCCN1CC(C1)CO 269982a_100016987283_200011292268 [0,1,0,1,0,0|2,0,0]=4 22011 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|1,0,1]=4 22012 B11R1.852 C=CC(C)N1CCCCCC1 269982a_100000185865_100011215867 [0,1,0,1,0,0|2,0,0]=4 22013 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,1,0,1,0,0|1,0,1]=4 22014 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,1,0,1,0,0|1,0,1]=4 22015 B11R1.29 C=CCCC(C)N1CCCC1 270004a_100000188435_100000762624 [0,1,0,1,0,0|2,0,0]=4 22016 B11R1.29 C=CCCN(C)C1CCCC1 2230a_100000207505_100000754431 [0,1,0,1,0,0|2,0,0]=4 22017 B11R1.29 C=CCCN(C)C1CCCC1 2230a_100020639649_100000179811 [0,1,0,1,0,0|2,0,0]=4 22018 B11R1.29 C=CCCN(C)C1CCCC1 269982a_100000207505_100000754431 [0,1,0,1,0,0|2,0,0]=4 22019 B11R1.29 C=CCCN(C)C1CCCC1 269982a_100020639649_100000179811 [0,1,0,1,0,0|2,0,0]=4 22020 B11R1.29 C=CCCN(C)C1CCCC1 270004a_100020639649_100000210133 [0,1,0,1,0,0|2,0,0]=4 22021 B11R1.29 C=CCCN(C)C1CCCC1 34a_100000207505_100000754431 [0,1,0,1,0,0|2,0,0]=4 22022 B11R1.29 C=CCNC(C)C1CCCC1 2230a_100015185923_100000210623 [0,1,0,1,0,0|2,0,0]=4 22023 B11R1.29 C=CCNC(C)C1CCCC1 270004a_100020586998_100000749594 [0,1,0,1,0,0|2,0,0]=4 22024 B11R1.29 C=CCNC(C)C1CCCC1 34a_100015185923_100015514636 [0,1,0,1,0,0|2,0,0]=4 22025 B11R1.29 C=CCOC(C)C1CCCC1 34a_100011216366_100015514636 [0,1,0,1,0,0|2,0,0]=4 22026 B11R1.29 C=CCOC(C)C1CCCC1 7a_100011216366_100015514636 [0,1,0,1,0,0|2,0,0]=4 22027 B11R1.29 CC(NCC=O)C1CCCC1 2230a_100015185923_200015260668 [0,1,0,1,0,0|1,0,0]=3 22028 B11R1.29 CC(NCC=O)C1CCCC1 34a_100015185923_200009817547 [0,1,0,1,0,0|1,0,0]=3 22029 B11R1.29 CC(NCC=O)C1CCCO1 2230a_100025754208_200015260668 [0,1,0,1,0,0|2,0,0]=4 22030 B11R1.29 CC(NCC=O)C1CCCO1 34a_100025754208_200009817547 [0,1,0,1,0,0|2,0,0]=4 22031 B11R1.29 CC(OCC=O)C1CCCC1 34a_100011216366_200009817547 [0,1,0,1,0,0|1,0,0]=3 22032 B11R1.29 CC(OCC=O)C1CCCC1 7a_100011216366_200015260668 [0,1,0,1,0,0|1,0,0]=3 22033 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CC=O 2230a_100016991869_200015260668 [0,1,0,1,0,0|2,0,0]=4 22034 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CC=O 269982a_100016991869_200015260668 [0,1,0,1,0,0|2,0,0]=4 22035 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CC=O 34a_100016991869_200009817547 [0,1,0,1,0,0|2,0,0]=4 22036 B11R1.183 O=CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200015260668 [0,1,0,1,0,0|2,0,0]=4 22037 B11R1.183 O=CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200015260668 [0,1,0,1,0,0|2,0,0]=4 22038 B11R1.183 O=CCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200015260668 [0,1,0,1,0,0|2,0,0]=4 22039 B11R1.183 O=CCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200015260668 [0,1,0,1,0,0|2,0,0]=4 22040 B11R1.183 O=CCN1C[C@H](C[C@H]1CO)F 34a_100015204000_200009817547 [0,1,0,1,0,0|2,0,0]=4 22041 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [0,1,0,1,0,0|1,0,1]=4 22042 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [0,1,0,1,0,0|1,0,1]=4 22043 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [0,1,0,1,0,0|1,0,1]=4 22044 B11R1.284 C=CCCC(C)OC1CCC1 34a_100000765329_100000749161 [0,1,0,1,0,0|2,0,0]=4 22045 B11R1.284 C=CCCN(C)CC1CCC1 2230a_100020639649_100000763275 [0,1,0,1,0,0|2,0,0]=4 22046 B11R1.284 C=CCCN(C)CC1CCC1 2230a_200000750244_100000754431 [0,1,0,1,0,0|2,0,0]=4 22047 B11R1.284 C=CCCN(C)CC1CCC1 269982a_100020639649_100000763275 [0,1,0,1,0,0|2,0,0]=4 22048 B11R1.284 C=CCCN(C)CC1CCC1 269982a_200000750244_100000754431 [0,1,0,1,0,0|2,0,0]=4 22049 B11R1.284 C=CCCN(C)CC1CCC1 34a_200000750244_100000754431 [0,1,0,1,0,0|2,0,0]=4 22050 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [0,1,0,1,0,0|1,0,1]=4 22051 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [0,1,0,1,0,0|1,0,1]=4 22052 B11R1.285 C=CCCC(C)NCC1CC1 270004a_100000735609_100000762624 [0,1,0,1,0,0|2,0,0]=4 22053 B11R1.285 C=CCCC(C)OCC1CC1 34a_100000765329_100000742324 [0,1,0,1,0,0|2,0,0]=4 22054 B11R1.285 C=CCCC(C)OCC1CC1 7a_100000765329_100000742324 [0,1,0,1,0,0|2,0,0]=4 22055 B11R1.285 C=CCCN(C)CCC1CC1 2230a_100020639649_100000694398 [0,1,0,1,0,0|2,0,0]=4 22056 B11R1.285 C=CCCN(C)CCC1CC1 269982a_100020639649_100000694398 [0,1,0,1,0,0|2,0,0]=4 22057 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [0,1,0,1,0,0|0,0,1]=3 22058 B11R1.286 CCCCN(C)C1CCC1=O 269982a_100000207549_100009892977 [0,1,0,1,0,0|1,0,0]=3 22059 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|1,0,1]=4 22060 B11R1.286 CCSCC(=O)C1CCC1=O 1458a_100000230394_100009892977 [0,1,0,1,0,0|1,0,1]=4 22061 B11R1.286 CN(CCCO)C1CCC1=O 269982a_100000213112_100009892977 [0,1,0,1,0,0|2,0,0]=4 22062 B11R1.286 COCCC(=O)C1CCC1=O 1458a_100000749529_100009892977 [0,1,0,1,0,0|1,0,1]=4 22063 B11R1.286 COCCN(C)C1CCC1=O 269982a_100000743101_100009892977 [0,1,0,1,0,0|2,0,0]=4 22064 B11R1.286 CSCCC(=O)C1CCC1=O 1458a_100000174002_100009892977 [0,1,0,1,0,0|1,0,1]=4 22065 B11R1.286 CSCCN(C)C1CCC1=O 269982a_100000686725_100009892977 [0,1,0,1,0,0|2,0,0]=4 22066 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000209988_100000757094 [0,1,0,1,0,0|1,0,1]=4 22067 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000766728_100000749161 [0,1,0,1,0,0|1,0,1]=4 22068 B11R1.299 C=CCCCN(C)C1CCC1 2230a_100000758072_100011713584 [0,1,0,1,0,0|2,0,0]=4 22069 B11R1.299 C=CCCCN(C)C1CCC1 269982a_100000758072_100000757094 [0,1,0,1,0,0|2,0,0]=4 22070 B11R1.299 C=CCCCN(C)C1CCC1 34a_100000758072_100000757094 [0,1,0,1,0,0|2,0,0]=4 22071 B11R1.299 C=CCCNC(C)C1CCC1 2230a_100016994624_100000754431 [0,1,0,1,0,0|2,0,0]=4 22072 B11R1.299 C=CCCNC(C)C1CCC1 269862a_100015191253_100000760154 [0,1,0,1,0,0|2,0,0]=4 22073 B11R1.299 C=CCCNC(C)C1CCC1 34a_100016994624_100000754431 [0,1,0,1,0,0|2,0,0]=4 22074 B11R1.299 C=CCCOC(C)C1CCC1 34a_100000766398_100000754431 [0,1,0,1,0,0|2,0,0]=4 22075 B11R1.299 C=CCCOC(C)C1CCC1 7a_100000766398_100000754431 [0,1,0,1,0,0|2,0,0]=4 22076 B11R1.299 CN(CCCC=O)C1CCC1 2230a_100000758072_200011292268 [0,1,0,1,0,0|1,0,0]=3 22077 B11R1.299 CN(CCCC=O)C1CCC1 269982a_100000758072_200011292268 [0,1,0,1,0,0|1,0,0]=3 22078 B11R1.299 CN(CCCC=O)C1COC1 2230a_100102693430_200011292268 [0,1,0,1,0,0|2,0,0]=4 22079 B11R1.299 CN(CCCC=O)C1COC1 269982a_100102693430_200011292268 [0,1,0,1,0,0|2,0,0]=4 22080 B11R1.299 N[C@H](COCC=O)C1COC1 34a_217856628679_200009817547 [0,1,0,1,0,0|2,0,0]=4 22081 B11R1.299 O=CCSCC(=O)C1CCC1 62a_100000686122_200015260668 [0,1,0,1,0,0|1,0,1]=4 22082 B11R1.299 O=CCSCC(=O)C1CCC1 62a_200015260668_100000686122 [0,1,0,1,0,0|1,0,1]=4 22083 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000738066_100000757094 [0,1,0,1,0,0|1,0,1]=4 22084 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000766728_100000742324 [0,1,0,1,0,0|1,0,1]=4 22085 B11R1.301 C=CCCCN(C)CC1CC1 2230a_100000741881_100011713584 [0,1,0,1,0,0|2,0,0]=4 22086 B11R1.301 C=CCCCN(C)CC1CC1 269982a_100000741881_100000757094 [0,1,0,1,0,0|2,0,0]=4 22087 B11R1.301 C=CCCNC(C)CC1CC1 270004a_100015191253_200000686933 [0,1,0,1,0,0|2,0,0]=4 22088 B11R1.301 CN(CCCC=O)CC1CC1 2230a_100000741881_200011292268 [0,1,0,1,0,0|1,0,0]=3 22089 B11R1.301 CN(CCCC=O)CC1CC1 269982a_100000741881_200011292268 [0,1,0,1,0,0|1,0,0]=3 22090 B11R1.465 C=CCCN1C(CCC1C)C 2230a_100000687148_100000754431 [0,1,0,1,0,0|2,0,0]=4 22091 B11R1.465 C=CCCN1C(CCC1C)C 269982a_100000687148_100000754431 [0,1,0,1,0,0|2,0,0]=4 22092 B11R1.465 C=CCCN1C(CCC1C)C 34a_100000687148_100000754431 [0,1,0,1,0,0|2,0,0]=4 22093 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100000210303_100009820769 [0,1,0,1,0,0|1,0,1]=4 22094 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100009820769_100000210303 [0,1,0,1,0,0|1,0,1]=4 22095 B11R1.605 C=CCN1C(CCCC1C)C 2230a_100000210447_100000210623 [0,1,0,1,0,0|2,0,0]=4 22096 B11R1.605 C=CCN1C(CCCC1C)C 269982a_100000210447_100000210623 [0,1,0,1,0,0|2,0,0]=4 22097 B11R1.605 C=CCN1C(CCCC1C)C 34a_100000210447_100015514636 [0,1,0,1,0,0|2,0,0]=4 22098 B11R1.605 CC1CCCC(N1CC=O)C 2230a_100000210447_200015260668 [0,1,0,1,0,0|1,0,0]=3 22099 B11R1.605 CC1CCCC(N1CC=O)C 269982a_100000210447_200015260668 [0,1,0,1,0,0|1,0,0]=3 22100 B11R1.605 CC1CCCC(N1CC=O)C 34a_100000210447_200009817547 [0,1,0,1,0,0|1,0,0]=3 22101 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 22102 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 22103 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 22104 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 22105 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 22106 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 22107 B11R1.605 CCNC1C(=O)CCCC1=O 2230a_100015525214_100009814513 [0,1,0,1,0,0|1,0,1]=4 22108 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100000210202_100009814513 [0,1,0,1,0,0|1,0,1]=4 22109 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100009814513_100000210202 [0,1,0,1,0,0|1,0,1]=4 22110 B11R1.605 C[C@@H]1COC[C@@H](N1CC=O)C 2230a_100103153222_200015260668 [0,1,0,1,0,0|2,0,0]=4 22111 B11R1.605 C[C@@H]1COC[C@@H](N1CC=O)C 269982a_100103153222_200015260668 [0,1,0,1,0,0|2,0,0]=4 22112 B11R1.605 C[C@@H]1COC[C@@H](N1CC=O)C 34a_100103153222_200009817547 [0,1,0,1,0,0|2,0,0]=4 22113 B11R1.756 C=CCCOC1(CCCC1)C 34a_100000751722_100000754431 [0,1,0,1,0,0|2,0,0]=4 22114 B11R1.756 C=CCCOC1(CCCC1)C 7a_100000751722_100000754431 [0,1,0,1,0,0|2,0,0]=4 22115 B11R1.756 C=CCNCC1(CCCC1)O 2230a_100000737848_100000210623 [0,1,0,1,0,0|2,0,0]=4 22116 B11R1.756 C=CCOCC1(CCCC1)N 34a_100000749328_100015514636 [0,1,0,1,0,0|2,0,0]=4 22117 B11R1.756 C[C@]1(CCCN1)COCC=O 34a_100016195882_200009817547 [0,1,0,1,0,0|2,0,0]=4 22118 B11R1.756 NC1(CCCC1)COCC=O 34a_100000749328_200009817547 [0,1,0,1,0,0|1,0,0]=3 22119 B11R1.756 O=CCNCC1(CCCC1)O 2230a_100000737848_200015260668 [0,1,0,1,0,0|1,0,0]=3 22120 B11R1.900 C=CCNC1(CCCCC1)C 2230a_100000741114_100000210623 [0,1,0,1,0,0|2,0,0]=4 22121 B11R1.900 C=CCNC1(CCCCC1)C 34a_100000741114_100015514636 [0,1,0,1,0,0|2,0,0]=4 22122 B11R1.900 C=CCOC1(CCCCC1)C 34a_100011215885_100015514636 [0,1,0,1,0,0|2,0,0]=4 22123 B11R1.900 C=CCOC1(CCCCC1)C 7a_100011215885_100015514636 [0,1,0,1,0,0|2,0,0]=4 22124 B11R1.900 CC1(CCCCC1)NCC=O 2230a_100000741114_200015260668 [0,1,0,1,0,0|1,0,0]=3 22125 B11R1.900 CC1(CCCCC1)NCC=O 34a_100000741114_200009817547 [0,1,0,1,0,0|1,0,0]=3 22126 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [0,1,0,1,0,0|1,0,0]=3 22127 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [0,1,0,1,0,0|1,0,0]=3 22128 B11R1.900 CC1(CCOCC1)NCC=O 2230a_100000692449_200015260668 [0,1,0,1,0,0|2,0,0]=4 22129 B11R1.900 CC1(CCOCC1)NCC=O 34a_100000692449_200009817547 [0,1,0,1,0,0|2,0,0]=4 22130 B11R1.900 CC1(CCOCC1)OCC=O 34a_100011827762_200009817547 [0,1,0,1,0,0|2,0,0]=4 22131 B11R1.900 CC1(CCOCC1)OCC=O 7a_100011827762_200015260668 [0,1,0,1,0,0|2,0,0]=4 22132 B11R1.900 CC1(CCSCC1)OCC=O 34a_200011004327_200009817547 [0,1,0,1,0,0|2,0,0]=4 22133 B11R1.900 CC1(CCSCC1)OCC=O 7a_200011004327_200015260668 [0,1,0,1,0,0|2,0,0]=4 22134 B11R1.900 CNCCC1(CCCCC1)O 2230a_100102740465_200000210301 [0,1,0,1,0,0|2,0,0]=4 22135 B11R1.900 CNCCC1(CCCCC1)O 34a_100102740465_200000210301 [0,1,0,1,0,0|2,0,0]=4 22136 B11R1.900 [13CH3]NCCC1(CCCCC1)O 2230a_100102740465_200025704644 [0,1,0,1,0,0|2,0,0]=4 22137 B11R1.900 [13CH3]NCCC1(CCCCC1)O 34a_100102740465_200025704644 [0,1,0,1,0,0|2,0,0]=4 22138 B11R1.1034 C=CCCCC(=O)C1CC1C 1458a_100000211227_100000757094 [0,1,0,1,0,0|1,0,1]=4 22139 B11R1.1133 C[C@]1(CCC[C@H]1N)OCC=O 34a_100015977457_200009817547 [0,1,0,1,0,0|2,0,0]=4 22140 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 22141 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 22142 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 22143 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 22144 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 22145 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 22146 B11R2.248 C=CCN1CC2CCC1C2 2230a_100000743476_100000210623 [0,0,0,2,0,0|2,0,0]=4 22147 B11R2.248 C=CCN1CC2CCC1C2 269982a_100000743476_100000210623 [0,0,0,2,0,0|2,0,0]=4 22148 B11R2.248 C=CCN1CC2CCC1C2 34a_100000743476_100015514636 [0,0,0,2,0,0|2,0,0]=4 22149 B11R2.248 CCCN1CC2C=CC1C2 2230a_100000732668_100000210303 [0,0,0,2,0,0|2,0,0]=4 22150 B11R2.248 CCCN1CC2C=CC1C2 269982a_100000732668_100000210303 [0,0,0,2,0,0|2,0,0]=4 22151 B11R2.248 CCCN1CC2C=CC1C2 34a_100000732668_100000210303 [0,0,0,2,0,0|2,0,0]=4 22152 B11R2.248 CCOC1CC2C=CC1C2 34a_100000043678_100000210202 [0,0,0,2,0,0|2,0,0]=4 22153 B11R2.248 CNCC1CC2C=CC1C2 2230a_100000189500_200000210301 [0,0,0,2,0,0|2,0,0]=4 22154 B11R2.248 CNCC1CC2C=CC1C2 2230a_106832991635_200009814271 [0,0,0,2,0,0|2,0,0]=4 22155 B11R2.248 CNCC1CC2C=CC1C2 34a_100000189500_200000210301 [0,0,0,2,0,0|2,0,0]=4 22156 B11R2.248 CNCC1CC2C=CC1C2 34a_100102657272_200009814271 [0,0,0,2,0,0|2,0,0]=4 22157 B11R2.248 CNCC1CC2C=CC1C2 7a_106832991635_100000139495 [0,0,0,2,0,0|2,0,0]=4 22158 B11R2.248 CNCC1CC2CCC1C2 269862a_106832991636_100000697602 [0,0,0,2,0,0|2,0,0]=4 22159 B11R2.248 CNCC1CC2CCC1C2 270004a_106832991635_100000697602 [0,0,0,2,0,0|2,0,0]=4 22160 B11R2.248 COCC1CC2C=CC1C2 34a_100011215361_200000210301 [0,0,0,2,0,0|2,0,0]=4 22161 B11R2.248 COCC1CC2C=CC1C2 34a_100138415774_200009814271 [0,0,0,2,0,0|2,0,0]=4 22162 B11R2.248 COCC1CC2CCC1C2 34a_100000229996_200000210301 [0,0,0,2,0,0|2,0,0]=4 22163 B11R2.248 CSCC1CC2C=CC1C2 62a_100000139495_200000210301 [0,0,0,2,0,0|2,0,0]=4 22164 B11R2.248 CSCC1CC2C=CC1C2 62a_200000210301_100000139495 [0,0,0,2,0,0|2,0,0]=4 22165 B11R2.248 O=CCN1CC2CCC1C2 2230a_100000743476_200015260668 [0,0,0,2,0,0|1,0,0]=3 22166 B11R2.248 O=CCN1CC2CCC1C2 269982a_100000743476_200015260668 [0,0,0,2,0,0|1,0,0]=3 22167 B11R2.248 O=CCN1CC2CCC1C2 34a_100000743476_200009817547 [0,0,0,2,0,0|1,0,0]=3 22168 B11R2.248 O=CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200015260668 [0,0,0,2,0,0|2,0,0]=4 22169 B11R2.248 O=CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200015260668 [0,0,0,2,0,0|2,0,0]=4 22170 B11R2.248 O=CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200009817547 [0,0,0,2,0,0|2,0,0]=4 22171 B11R2.248 [13CH3]NCC1CC2C=CC1C2 2230a_100000189500_200025704644 [0,0,0,2,0,0|2,0,0]=4 22172 B11R2.248 [13CH3]NCC1CC2C=CC1C2 34a_100000189500_200025704644 [0,0,0,2,0,0|2,0,0]=4 22173 B11R2.248 [13CH3]OCC1CC2C=CC1C2 34a_100011215361_200025704644 [0,0,0,2,0,0|2,0,0]=4 22174 B11R2.248 [13CH3]OCC1CC2CCC1C2 34a_100000229996_200025704644 [0,0,0,2,0,0|2,0,0]=4 22175 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_100000139495_200025704644 [0,0,0,2,0,0|2,0,0]=4 22176 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_200025704644_100000139495 [0,0,0,2,0,0|2,0,0]=4 22177 B11R2.76 C=CCN1C2CCC1CC2 2230a_100000735658_100000210623 [0,0,0,2,0,0|2,0,0]=4 22178 B11R2.76 C=CCN1C2CCC1CC2 269982a_100000735658_100000210623 [0,0,0,2,0,0|2,0,0]=4 22179 B11R2.76 C=CCN1C2CCC1CC2 34a_100000735658_100015514636 [0,0,0,2,0,0|2,0,0]=4 22180 B11R2.76 O=CCN1C2CCC1CC2 2230a_100000735658_200015260668 [0,0,0,2,0,0|1,0,0]=3 22181 B11R2.76 O=CCN1C2CCC1CC2 269982a_100000735658_200015260668 [0,0,0,2,0,0|1,0,0]=3 22182 B11R2.76 O=CCN1C2CCC1CC2 34a_100000735658_200009817547 [0,0,0,2,0,0|1,0,0]=3 22183 B11R2.143 C=CCN1CCCC12CC2 2230a_100020620911_100000210623 [0,0,0,2,0,0|2,0,0]=4 22184 B11R2.143 C=CCN1CCCC12CC2 269982a_100020620911_100000210623 [0,0,0,2,0,0|2,0,0]=4 22185 B11R2.143 C=CCN1CCCC12CC2 34a_100020620911_100015514636 [0,0,0,2,0,0|2,0,0]=4 22186 B11R2.143 O=CCN1CCCC12CC2 2230a_100020620911_200015260668 [0,0,0,2,0,0|1,0,0]=3 22187 B11R2.143 O=CCN1CCCC12CC2 269982a_100020620911_200015260668 [0,0,0,2,0,0|1,0,0]=3 22188 B11R2.143 O=CCN1CCCC12CC2 34a_100020620911_200009817547 [0,0,0,2,0,0|1,0,0]=3 22189 B11R2.157 C=CCCN1CC2CC2C1 2230a_100000741873_100000754431 [0,0,0,2,0,0|2,0,0]=4 22190 B11R2.157 C=CCCN1CC2CC2C1 269982a_100000741873_100000754431 [0,0,0,2,0,0|2,0,0]=4 22191 B11R2.157 C=CCCN1CC2CC2C1 34a_100000741873_100000754431 [0,0,0,2,0,0|2,0,0]=4 22192 B11R2.157 C=CCNC1CC2CC2C1 270004a_100020586998_100010340937 [0,0,0,2,0,0|2,0,0]=4 22193 B11R2.238 C1=CC(CCC1)OC2CC2 34a_100011215024_100000211595 [0,0,0,2,0,0|2,0,0]=4 22194 B11R2.238 C1=CC(CCC1)SC2CC2 62a_100000751183_100000211595 [0,0,0,2,0,0|2,0,0]=4 22195 B11R2.239 C1=CC(CCC1)N2CCC2 269982a_100000754969_100000751183 [0,0,0,2,0,0|2,0,0]=4 22196 B11R2.258 O=CCNC1C2C1COC2 2230a_100000702821_200015260668 [0,0,0,2,0,0|2,0,0]=4 22197 B11R2.258 O=CCNC1C2C1COC2 34a_100000702821_200009817547 [0,0,0,2,0,0|2,0,0]=4 22198 B11R2.927 C=CCNC1CCC2C1C2 270004a_100020586998_100000692480 [0,0,0,2,0,0|2,0,0]=4 22199 B11R2.927 C=CCOC1CCC2C1C2 34a_200012295571_100015514636 [0,0,0,2,0,0|2,0,0]=4 22200 B11R2.927 O=CCOC1CCC2C1C2 34a_200012295571_200009817547 [0,0,0,2,0,0|1,0,0]=3 22201 B11R2.7 O=C1CCC1N2CCCC2 269982a_100000188435_100009892977 [0,0,0,2,0,0|1,0,0]=3 22202 B11R2.7 O=C1CCC1N2CCSC2 269982a_100011215254_100009892977 [0,0,0,2,0,0|2,0,0]=4 22203 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,2,0,0|1,0,0]=3 22204 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [0,0,0,2,0,0|1,0,0]=3 22205 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [0,0,0,2,0,0|1,0,0]=3 22206 B11R2.115 O=C1NCCC1NC2CC2 34a_100016995588_100000211595 [0,0,0,2,0,0|2,0,0]=4 22207 B11R2.115 O=C1NCC[C@@H]1OC2CC2 34a_100000688343_100000211595 [0,0,0,2,0,0|2,0,0]=4 22208 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,2,0,0|2,0,0]=4 22209 B11R2.115 O=C1OCCC1SC2CC2 62a_100000211211_100000211595 [0,0,0,2,0,0|2,0,0]=4 22210 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [0,0,0,2,0,0|1,0,0]=3 22211 B11R2.459 O=C1OCCC1N2CCC2 269982a_100000754969_100000211211 [0,0,0,2,0,0|2,0,0]=4 22212 B11R2.58 O=C1CCC1N[C@@H]2C[C@H]2F 34a_100025746932_100009892977 [0,0,0,2,0,0|2,0,0]=4 22213 B11R2.112 CC1CCN1C2CCC2=O 269982a_100000755817_100009892977 [0,0,0,2,0,0|1,0,0]=3 22214 B11R2.112 CC1CCN1C2CCC2=O 34a_100000755817_100009892977 [0,0,0,2,0,0|1,0,0]=3 22215 B11R2.362 O=C1CCC1NCC2CC2 34a_100000735609_100009892977 [0,0,0,2,0,0|1,0,0]=3 22216 B11R2.362 O=C1CCC1OCC2CC2 34a_100000211283_100009892977 [0,0,0,2,0,0|1,0,0]=3 22217 B11R2.362 O=C1CCC1OC[C@@H]2CO2 34a_100000757423_100009892977 [0,0,0,2,0,0|2,0,0]=4 22218 B11R2.362 O=C1CCC1SCC2CC2 62a_100000756562_100009892977 [0,0,0,2,0,0|1,0,0]=3 22219 B11R2.362 O=C1CCC1SCC2CC2 62a_100009892977_100000742324 [0,0,0,2,0,0|1,0,0]=3 22220 B11R2.362 O=C1CCC1SCC2CO2 62a_100009892977_102125554688 [0,0,0,2,0,0|2,0,0]=4 22221 B11R2.362 O=C1CCC1SCC2CO2 62a_102125554688_100009892977 [0,0,0,2,0,0|2,0,0]=4 22222 B11R2.362 O=C1CCC1SCC2CS2 62a_100000031435_100009892977 [0,0,0,2,0,0|2,0,0]=4 22223 B11R2.362 O=C1CCC1SCC2CS2 62a_100009892977_100000031435 [0,0,0,2,0,0|2,0,0]=4 22224 B11R2.362 O=C1CCC1SC[C@@H]2CO2 62a_100000745022_100009892977 [0,0,0,2,0,0|2,0,0]=4 22225 B11R2.362 O=C1CCC1SC[C@@H]2CO2 62a_100009892977_100000745022 [0,0,0,2,0,0|2,0,0]=4 22226 B11R2.512 O=C1CCC1NC2CCC2 34a_100000749019_100009892977 [0,0,0,2,0,0|1,0,0]=3 22227 B11R2.512 O=C1CCC1OC2CCC2 34a_100000748187_100009892977 [0,0,0,2,0,0|1,0,0]=3 22228 B11R2.512 O=C1CCC1OC2CSC2 7a_100000072292_100009892977 [0,0,0,2,0,0|2,0,0]=4 22229 B11R2.512 O=C1CCC1SC2CCC2 62a_100009892977_100000749161 [0,0,0,2,0,0|1,0,0]=3 22230 B11R2.512 O=C1CCC1SC2COC2 62a_100009892977_100009818527 [0,0,0,2,0,0|2,0,0]=4 22231 B11R2.643 O=CCN1CCC12COC2 2230a_100015204706_200015260668 [0,0,0,2,0,0|2,0,0]=4 22232 B11R2.643 O=CCN1CCC12COC2 269982a_100015204706_200015260668 [0,0,0,2,0,0|2,0,0]=4