0 B16R0.303 C#CCCCCCCCSCCCCCC=C 62a_100000700193_100153394163 [0,0,0,0,0,0|2,0,2]=4 1 B16R0.303 C#CCCCCCCCSCCCCCC=C 62a_100153394163_100000700193 [0,0,0,0,0,0|2,0,2]=4 2 B16R0.303 C#CCCCCCCCSCCCCCCC 62a_100000210614_100153394163 [0,0,0,0,0,0|2,0,1]=3 3 B16R0.303 C#CCCCCCCCSCCCCCCC 62a_100153394163_100000210316 [0,0,0,0,0,0|2,0,1]=3 4 B16R0.303 C#CCCCCCCCSCCCCCCF 62a_100015922095_100153394163 [0,0,0,0,0,0|3,0,1]=4 5 B16R0.303 C#CCCCCCCCSCCCCCCF 62a_100153394163_100015922095 [0,0,0,0,0,0|3,0,1]=4 6 B16R0.303 C#CCCCCCCSCCCCCCC=C 62a_100011215473_100012276617 [0,0,0,0,0,0|2,0,2]=4 7 B16R0.303 C#CCCCCCCSCCCCCCC=C 62a_100012276617_100011215473 [0,0,0,0,0,0|2,0,2]=4 8 B16R0.303 C#CCCCCCCSCCCCCCCC 62a_100000210759_100012276617 [0,0,0,0,0,0|2,0,1]=3 9 B16R0.303 C#CCCCCCCSCCCCCCCC 62a_100012276617_100000210317 [0,0,0,0,0,0|2,0,1]=3 10 B16R0.303 C#CCCCCCSCCCCCCCC=C 62a_100012094781_100012355270 [0,0,0,0,0,0|2,0,2]=4 11 B16R0.303 C#CCCCCCSCCCCCCCC=C 62a_100012355270_100012094781 [0,0,0,0,0,0|2,0,2]=4 12 B16R0.303 C#CCCCCCSCCCCCCCCC 62a_100012094781_100000210670 [0,0,0,0,0,0|2,0,1]=3 13 B16R0.303 C#CCCCCSCCCCCCCCC=C 62a_100010269958_100011933949 [0,0,0,0,0,0|2,0,2]=4 14 B16R0.303 C#CCCCCSCCCCCCCCC=C 62a_100011933949_100010269958 [0,0,0,0,0,0|2,0,2]=4 15 B16R0.303 C#CCCCCSCCCCCCCCCC 62a_100010269958_100000210320 [0,0,0,0,0,0|2,0,1]=3 16 B16R0.303 C#CCCCSCCCCCCCCCC=C 62a_100009814027_100011215417 [0,0,0,0,0,0|2,0,2]=4 17 B16R0.303 C#CCCCSCCCCCCCCCC=C 62a_100011215417_100009814027 [0,0,0,0,0,0|2,0,2]=4 18 B16R0.303 C#CCCCSCCCCCCCCCCC 62a_100011215417_100011215454 [0,0,0,0,0,0|2,0,1]=3 19 B16R0.303 C#CCCSCCCCCCCCCCC=C 62a_100000688953_100011093070 [0,0,0,0,0,0|2,0,2]=4 20 B16R0.303 C#CCCSCCCCCCCCCCC=C 62a_100011093070_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B16R0.303 C#CCCSCCCCCCCCCCCC 62a_100000688953_100000759014 [0,0,0,0,0,0|2,0,1]=3 22 B16R0.303 C#CCSCCCCCCCCCCCC=C 62a_100000038162_102130925996 [0,0,0,0,0,0|2,0,2]=4 23 B16R0.303 C#CCSCCCCCCCCCCCCC 62a_100000038162_100011934334 [0,0,0,0,0,0|2,0,1]=3 24 B16R0.303 C/C=C/CCOCCCCCCCCCCC 34a_100016278192_100011215454 [0,0,0,0,0,0|2,0,1]=3 25 B16R0.303 C/C=C/CNCCCCCCCCCCCC 34a_100000210451_100102629194 [0,0,0,0,0,0|2,0,1]=3 26 B16R0.303 C/C=C/COCCCCCCCCCCCBr 34a_100009812471_100102629194 [0,0,0,0,0,0|3,0,1]=4 27 B16R0.303 C/C=C/COCCCCCCCCCCCBr 7a_100009812471_100102629194 [0,0,0,0,0,0|3,0,1]=4 28 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100000210810_100102629194 [0,0,0,0,0,0|2,0,1]=3 29 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100016270725_100000759014 [0,0,0,0,0,0|2,0,1]=3 30 B16R0.303 C/C=C/COCCCCCCCCCCCC 7a_100000210810_100102629194 [0,0,0,0,0,0|2,0,1]=3 31 B16R0.303 C=CCCC/C=C/COCCCCCCCC 34a_200016268473_100000210759 [0,0,0,0,0,0|2,0,2]=4 32 B16R0.303 C=CCCC/C=C/COCCCCCCCC 7a_200016268473_100000210759 [0,0,0,0,0,0|2,0,2]=4 33 B16R0.303 C=CCCCCCCCCCCCCCNC 2230a_106832991635_102495333938 [0,0,0,0,0,0|2,0,0]=2 34 B16R0.303 C=CCCCCCCCCCCCCCNC 34a_100102657272_102495333938 [0,0,0,0,0,0|2,0,0]=2 35 B16R0.303 C=CCCCCCCCCCCCCCNC 7a_106832991635_102495333938 [0,0,0,0,0,0|2,0,0]=2 36 B16R0.303 C=CCCCCCCCCCCCCCOC 34a_100138415774_102495333938 [0,0,0,0,0,0|2,0,0]=2 37 B16R0.303 C=CCCCCCCCCCCCOCC=C 34a_200000210373_102130925996 [0,0,0,0,0,0|2,0,2]=4 38 B16R0.303 C=CCCCCCCCCCCCOCCBr 34a_100000211926_102130925996 [0,0,0,0,0,0|3,0,0]=3 39 B16R0.303 C=CCCCCCCCCCCCOCCC 34a_100000210258_102130925996 [0,0,0,0,0,0|2,0,0]=2 40 B16R0.303 C=CCCCCCCCCCCCSCC#N 62a_100011215382_102130925996 [0,0,0,0,0,0|3,0,1]=4 41 B16R0.303 C=CCCCCCCCCCCCSCC#N 62a_102130925996_100011215382 [0,0,0,0,0,0|3,0,1]=4 42 B16R0.303 C=CCCCCCCCCCCCSCC=C 62a_100000210623_102130925996 [0,0,0,0,0,0|2,0,2]=4 43 B16R0.303 C=CCCCCCCCCCCCSCC=C 62a_102130925996_100000210623 [0,0,0,0,0,0|2,0,2]=4 44 B16R0.303 C=CCCCCCCCCCCCSCC=O 62a_102130925996_200015260668 [0,0,0,0,0,0|1,0,2]=3 45 B16R0.303 C=CCCCCCCCCCCCSCC=O 62a_200015260668_102130925996 [0,0,0,0,0,0|1,0,2]=3 46 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_100011217306_102130925996 [0,0,0,0,0,0|3,0,0]=3 47 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_102130925996_100011217306 [0,0,0,0,0,0|3,0,0]=3 48 B16R0.303 C=CCCCCCCCCCCCSCOC 62a_100000766300_102130925996 [0,0,0,0,0,0|3,0,0]=3 49 B16R0.303 C=CCCCCCCCCCCCSCOC 62a_102130925996_100000766300 [0,0,0,0,0,0|3,0,0]=3 50 B16R0.303 C=CCCCCCCCCCCNCCCC 2230a_100000102301_100011093070 [0,0,0,0,0,0|2,0,0]=2 51 B16R0.303 C=CCCCCCCCCCCNCCCC 7a_106832991798_100011093070 [0,0,0,0,0,0|2,0,0]=2 52 B16R0.303 C=CCCCCCCCCCCOC/C=C/C 34a_100016270725_100011093070 [0,0,0,0,0,0|2,0,2]=4 53 B16R0.303 C=CCCCCCCCCCCOCCC=C 34a_100011205117_100011093070 [0,0,0,0,0,0|2,0,2]=4 54 B16R0.303 C=CCCCCCCCCCCOCCCBr 34a_100011217188_100011093070 [0,0,0,0,0,0|3,0,0]=3 55 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [0,0,0,0,0,0|2,0,0]=2 56 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [0,0,0,0,0,0|2,0,0]=2 57 B16R0.303 C=CCCCCCCCCCCOCCCCl 34a_100000230001_100011093070 [0,0,0,0,0,0|3,0,0]=3 58 B16R0.303 C=CCCCCCCCCCCOCCCF 34a_100000759539_100011093070 [0,0,0,0,0,0|3,0,0]=3 59 B16R0.303 C=CCCCCCCCCCCOCCSC 34a_100000230434_100011093070 [0,0,0,0,0,0|3,0,0]=3 60 B16R0.303 C=CCCCCCCCCCCOCCSC 7a_100000230434_100011093070 [0,0,0,0,0,0|3,0,0]=3 61 B16R0.303 C=CCCCCCCCCCCSC/C=C/C 62a_100011093070_100102629194 [0,0,0,0,0,0|2,0,2]=4 62 B16R0.303 C=CCCCCCCCCCCSC/C=C/C 62a_100102629194_100011093070 [0,0,0,0,0,0|2,0,2]=4 63 B16R0.303 C=CCCCCCCCCCCSCC#CC 62a_100000748600_100011093070 [0,0,0,0,0,0|2,0,2]=4 64 B16R0.303 C=CCCCCCCCCCCSCC#CC 62a_100011093070_100000748600 [0,0,0,0,0,0|2,0,2]=4 65 B16R0.303 C=CCCCCCCCCCCSCC=CC 62a_100000070051_100011093070 [0,0,0,0,0,0|2,0,2]=4 66 B16R0.303 C=CCCCCCCCCCCSCC=CC 62a_100011093070_100000070051 [0,0,0,0,0,0|2,0,2]=4 67 B16R0.303 C=CCCCCCCCCCCSCCC#N 62a_100011093070_100011215226 [0,0,0,0,0,0|3,0,1]=4 68 B16R0.303 C=CCCCCCCCCCCSCCC#N 62a_100011215226_100011093070 [0,0,0,0,0,0|3,0,1]=4 69 B16R0.303 C=CCCCCCCCCCCSCCC=C 62a_100000754431_100011093070 [0,0,0,0,0,0|2,0,2]=4 70 B16R0.303 C=CCCCCCCCCCCSCCC=C 62a_100011093070_100000754431 [0,0,0,0,0,0|2,0,2]=4 71 B16R0.303 C=CCCCCCCCCCCSCCCF 62a_100011093070_100011934791 [0,0,0,0,0,0|3,0,0]=3 72 B16R0.303 C=CCCCCCCCCCCSCCCF 62a_100011934791_100011093070 [0,0,0,0,0,0|3,0,0]=3 73 B16R0.303 C=CCCCCCCCCCCSCCOC 62a_100000233755_100011093070 [0,0,0,0,0,0|3,0,0]=3 74 B16R0.303 C=CCCCCCCCCCCSCCOC 62a_100011093070_100000233755 [0,0,0,0,0,0|3,0,0]=3 75 B16R0.303 C=CCCCCCCCCCCSCCSC 62a_100000212216_100011093070 [0,0,0,0,0,0|3,0,0]=3 76 B16R0.303 C=CCCCCCCCCCCSCCSC 62a_100011093070_100000751147 [0,0,0,0,0,0|3,0,0]=3 77 B16R0.303 C=CCCCCCCCCCCSCOCC 62a_100000739092_100011093070 [0,0,0,0,0,0|3,0,0]=3 78 B16R0.303 C=CCCCCCCCCCCSCOCC 62a_100011093070_100000739092 [0,0,0,0,0,0|3,0,0]=3 79 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000081888_100000210326 [0,0,0,0,0,0|2,0,0]=2 80 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000209983_100009814027 [0,0,0,0,0,0|2,0,0]=2 81 B16R0.303 C=CCCCCCCCCCNCCCCC 34a_100000081888_100000718602 [0,0,0,0,0,0|2,0,0]=2 82 B16R0.303 C=CCCCCCCCCCOC/C=C\CC 34a_100000038209_100103147603 [0,0,0,0,0,0|2,0,2]=4 83 B16R0.303 C=CCCCCCCCCCOC/C=C\CC 34a_100016268518_100009814027 [0,0,0,0,0,0|2,0,2]=4 84 B16R0.303 C=CCCCCCCCCCOC/C=C\CC 7a_100000038209_100103147603 [0,0,0,0,0,0|2,0,2]=4 85 B16R0.303 C=CCCCCCCCCCOCC/C=C/C 34a_100016278192_100009814027 [0,0,0,0,0,0|2,0,2]=4 86 B16R0.303 C=CCCCCCCCCCOCCCC=C 34a_100000038209_100000757094 [0,0,0,0,0,0|2,0,2]=4 87 B16R0.303 C=CCCCCCCCCCOCCCC=C 34a_100000758997_100009814027 [0,0,0,0,0,0|2,0,2]=4 88 B16R0.303 C=CCCCCCCCCCOCCCC=C 7a_100000038209_100000757094 [0,0,0,0,0,0|2,0,2]=4 89 B16R0.303 C=CCCCCCCCCCOCCCC=C 7a_100000758997_100009814027 [0,0,0,0,0,0|2,0,2]=4 90 B16R0.303 C=CCCCCCCCCCOCCCCBr 34a_100011216708_100009814027 [0,0,0,0,0,0|3,0,0]=3 91 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000038209_100000718602 [0,0,0,0,0,0|2,0,0]=2 92 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000210253_100009814027 [0,0,0,0,0,0|2,0,0]=2 93 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000038209_100000210326 [0,0,0,0,0,0|2,0,0]=2 94 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000210253_100009814027 [0,0,0,0,0,0|2,0,0]=2 95 B16R0.303 C=CCCCCCCCCCOCCCCCl 34a_100000210776_100009814027 [0,0,0,0,0,0|3,0,0]=3 96 B16R0.303 C=CCCCCCCCCCOCCCCCl 7a_100000210776_100009814027 [0,0,0,0,0,0|3,0,0]=3 97 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100000038209_100000729493 [0,0,0,0,0,0|3,0,0]=3 98 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100011995726_100009814027 [0,0,0,0,0,0|3,0,0]=3 99 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100000038209_100000729493 [0,0,0,0,0,0|3,0,0]=3 100 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100011995726_100009814027 [0,0,0,0,0,0|3,0,0]=3 101 B16R0.303 C=CCCCCCCCCCOCCCCI 34a_200012148704_100009814027 [0,0,0,0,0,0|3,0,0]=3 102 B16R0.303 C=CCCCCCCCCCOCCCSC 34a_100000690336_100009814027 [0,0,0,0,0,0|3,0,0]=3 103 B16R0.303 C=CCCCCCCCCCOCCCSC 7a_100000690336_100009814027 [0,0,0,0,0,0|3,0,0]=3 104 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000038209_100000757381 [0,0,0,0,0,0|3,0,0]=3 105 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000212035_100009814027 [0,0,0,0,0,0|3,0,0]=3 106 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000038209_100000757381 [0,0,0,0,0,0|3,0,0]=3 107 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000212035_100009814027 [0,0,0,0,0,0|3,0,0]=3 108 B16R0.303 C=CCCCCCCCCCSC/C=C\CC 62a_100009814027_100103147603 [0,0,0,0,0,0|2,0,2]=4 109 B16R0.303 C=CCCCCCCCCCSC/C=C\CC 62a_100103147603_100009814027 [0,0,0,0,0,0|2,0,2]=4 110 B16R0.303 C=CCCCCCCCCCSCC#CCC 62a_100009813939_100009814027 [0,0,0,0,0,0|2,0,2]=4 111 B16R0.303 C=CCCCCCCCCCSCC#CCC 62a_100009814027_100009813939 [0,0,0,0,0,0|2,0,2]=4 112 B16R0.303 C=CCCCCCCCCCSCCCC#N 62a_100000687738_100009814027 [0,0,0,0,0,0|3,0,1]=4 113 B16R0.303 C=CCCCCCCCCCSCCCC#N 62a_100009814027_100000687738 [0,0,0,0,0,0|3,0,1]=4 114 B16R0.303 C=CCCCCCCCCCSCCCC=C 62a_100009814027_100000757094 [0,0,0,0,0,0|2,0,2]=4 115 B16R0.303 C=CCCCCCCCCCSCCCC=C 62a_100011713584_100009814027 [0,0,0,0,0,0|2,0,2]=4 116 B16R0.303 C=CCCCCCCCCCSCCCC=O 62a_100009814027_200011292268 [0,0,0,0,0,0|1,0,2]=3 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7a_100016278788_100011933949 [0,0,0,0,0,0|2,0,2]=4 129 B16R0.303 C=CCCCCCCCCOCC/C=C\CC 34a_100011215194_100015370543 [0,0,0,0,0,0|2,0,2]=4 130 B16R0.303 C=CCCCCCCCCOCC/C=C\CC 34a_100016288707_100011933949 [0,0,0,0,0,0|2,0,2]=4 131 B16R0.303 C=CCCCCCCCCOCC/C=C\CC 7a_100011215194_100015370543 [0,0,0,0,0,0|2,0,2]=4 132 B16R0.303 C=CCCCCCCCCOCC/C=C\CC 7a_100016288707_100011933949 [0,0,0,0,0,0|2,0,2]=4 133 B16R0.303 C=CCCCCCCCCOCCCC=CC 34a_100020645299_100011933949 [0,0,0,0,0,0|2,0,2]=4 134 B16R0.303 C=CCCCCCCCCOCCCCC=C 34a_100000766645_100011933949 [0,0,0,0,0,0|2,0,2]=4 135 B16R0.303 C=CCCCCCCCCOCCCCC=C 34a_100011215194_100011215482 [0,0,0,0,0,0|2,0,2]=4 136 B16R0.303 C=CCCCCCCCCOCCCCC=C 7a_100000766645_100011933949 [0,0,0,0,0,0|2,0,2]=4 137 B16R0.303 C=CCCCCCCCCOCCCCC=C 7a_100011215194_100011215482 [0,0,0,0,0,0|2,0,2]=4 138 B16R0.303 C=CCCCCCCCCOCCCCCBr 34a_100000746331_100011933949 [0,0,0,0,0,0|3,0,0]=3 139 B16R0.303 C=CCCCCCCCCOCCCCCBr 7a_100000746331_100011933949 [0,0,0,0,0,0|3,0,0]=3 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[0,0,0,0,0,0|3,0,0]=3 152 B16R0.303 C=CCCCCCCCCOCCCSCC 34a_100011216438_100011933949 [0,0,0,0,0,0|3,0,0]=3 153 B16R0.303 C=CCCCCCCCCOCCCSCC 7a_100011216438_100011933949 [0,0,0,0,0,0|3,0,0]=3 154 B16R0.303 C=CCCCCCCCCOCCSCCC 34a_200000230433_100011933949 [0,0,0,0,0,0|3,0,0]=3 155 B16R0.303 C=CCCCCCCCCOCCSCCC 7a_200000230433_100011933949 [0,0,0,0,0,0|3,0,0]=3 156 B16R0.303 C=CCCCCCCCCSCC/C=C\CC 62a_100011933949_100015370543 [0,0,0,0,0,0|2,0,2]=4 157 B16R0.303 C=CCCCCCCCCSCC/C=C\CC 62a_100015370543_100011933949 [0,0,0,0,0,0|2,0,2]=4 158 B16R0.303 C=CCCCCCCCCSCCCCC#N 62a_100011219923_100011933949 [0,0,0,0,0,0|3,0,1]=4 159 B16R0.303 C=CCCCCCCCCSCCCCC#N 62a_100011933949_100000211819 [0,0,0,0,0,0|3,0,1]=4 160 B16R0.303 C=CCCCCCCCCSCCCCC=C 62a_100011215482_100011933949 [0,0,0,0,0,0|2,0,2]=4 161 B16R0.303 C=CCCCCCCCCSCCCCC=C 62a_100011933949_100011215482 [0,0,0,0,0,0|2,0,2]=4 162 B16R0.303 C=CCCCCCCCCSCCCCC=O 62a_100000139335_100011933949 [0,0,0,0,0,0|1,0,2]=3 163 B16R0.303 C=CCCCCCCCCSCCCCC=O 62a_100011933949_100000139335 [0,0,0,0,0,0|1,0,2]=3 164 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100000729378_100011933949 [0,0,0,0,0,0|3,0,0]=3 165 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100011933949_100000729378 [0,0,0,0,0,0|3,0,0]=3 166 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100000730899_100011933949 [0,0,0,0,0,0|3,0,0]=3 167 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100011933949_100000730899 [0,0,0,0,0,0|3,0,0]=3 168 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100011933949_100012232248 [0,0,0,0,0,0|3,0,0]=3 169 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100012232248_100011933949 [0,0,0,0,0,0|3,0,0]=3 170 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011215938_100011933949 [0,0,0,0,0,0|3,0,0]=3 171 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011933949_100011215938 [0,0,0,0,0,0|3,0,0]=3 172 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011933949_100011995733 [0,0,0,0,0,0|3,0,0]=3 173 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011995733_100011933949 [0,0,0,0,0,0|3,0,0]=3 174 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [0,0,0,0,0,0|2,0,0]=2 175 B16R0.303 C=CCCCCCCCOC/C=C/CCCC 34a_200016272032_100012355270 [0,0,0,0,0,0|2,0,2]=4 176 B16R0.303 C=CCCCCCCCOC/C=C/CCCC 7a_200016272032_100012355270 [0,0,0,0,0,0|2,0,2]=4 177 B16R0.303 C=CCCCCCCCOCCC/C=C/CC 34a_100016287902_100012355270 [0,0,0,0,0,0|2,0,2]=4 178 B16R0.303 C=CCCCCCCCOCCC/C=C/CC 7a_100016287902_100012355270 [0,0,0,0,0,0|2,0,2]=4 179 B16R0.303 C=CCCCCCCCOCCCCCC=C 34a_100000730831_100000700193 [0,0,0,0,0,0|2,0,2]=4 180 B16R0.303 C=CCCCCCCCOCCCCCC=C 34a_100011216702_100012355270 [0,0,0,0,0,0|2,0,2]=4 181 B16R0.303 C=CCCCCCCCOCCCCCC=C 7a_100000730831_100000700193 [0,0,0,0,0,0|2,0,2]=4 182 B16R0.303 C=CCCCCCCCOCCCCCC=C 7a_100011216702_100012355270 [0,0,0,0,0,0|2,0,2]=4 183 B16R0.303 C=CCCCCCCCOCCCCCCBr 34a_100011215345_100012355270 [0,0,0,0,0,0|3,0,0]=3 184 B16R0.303 C=CCCCCCCCOCCCCCCBr 7a_100011215345_100012355270 [0,0,0,0,0,0|3,0,0]=3 185 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [0,0,0,0,0,0|2,0,0]=2 186 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [0,0,0,0,0,0|2,0,0]=2 187 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [0,0,0,0,0,0|2,0,0]=2 188 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [0,0,0,0,0,0|2,0,0]=2 189 B16R0.303 C=CCCCCCCCOCCCCCCCl 34a_100000766143_100012355270 [0,0,0,0,0,0|3,0,0]=3 190 B16R0.303 C=CCCCCCCCOCCCCCCCl 7a_100000766143_100012355270 [0,0,0,0,0,0|3,0,0]=3 191 B16R0.303 C=CCCCCCCCOCCCCCCF 34a_100000730831_100015922095 [0,0,0,0,0,0|3,0,0]=3 192 B16R0.303 C=CCCCCCCCOCCCCCCF 34a_100000732779_100012355270 [0,0,0,0,0,0|3,0,0]=3 193 B16R0.303 C=CCCCCCCCOCCCCCCF 7a_100000730831_100015922095 [0,0,0,0,0,0|3,0,0]=3 194 B16R0.303 C=CCCCCCCCOCCCCCCF 7a_100000732779_100012355270 [0,0,0,0,0,0|3,0,0]=3 195 B16R0.303 C=CCCCCCCCOCCSCCCC 34a_200000230436_100012355270 [0,0,0,0,0,0|3,0,0]=3 196 B16R0.303 C=CCCCCCCCOCCSCCCC 7a_200000230436_100012355270 [0,0,0,0,0,0|3,0,0]=3 197 B16R0.303 C=CCCCCCCCSCCCCCC#N 62a_100009813376_100012355270 [0,0,0,0,0,0|3,0,1]=4 198 B16R0.303 C=CCCCCCCCSCCCCCC#N 62a_100012355270_100009813376 [0,0,0,0,0,0|3,0,1]=4 199 B16R0.303 C=CCCCCCCCSCCCCCC=C 62a_100000700193_100012355270 [0,0,0,0,0,0|2,0,2]=4 200 B16R0.303 C=CCCCCCCCSCCCCCC=C 62a_100012355270_100000700193 [0,0,0,0,0,0|2,0,2]=4 201 B16R0.303 C=CCCCCCCCSCCCCCC=O 62a_100000139337_100012355270 [0,0,0,0,0,0|1,0,2]=3 202 B16R0.303 C=CCCCCCCCSCCCCCC=O 62a_100012355270_100000139337 [0,0,0,0,0,0|1,0,2]=3 203 B16R0.303 C=CCCCCCCCSCCCCCCF 62a_100012355270_100015922095 [0,0,0,0,0,0|3,0,0]=3 204 B16R0.303 C=CCCCCCCCSCCCCCCF 62a_100015922095_100012355270 [0,0,0,0,0,0|3,0,0]=3 205 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100000743108_100012355270 [0,0,0,0,0,0|3,0,0]=3 206 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100012355270_100000743108 [0,0,0,0,0,0|3,0,0]=3 207 B16R0.303 C=CCCCCCCNCCCCCCCC 2230a_100000229939_100011215473 [0,0,0,0,0,0|2,0,0]=2 208 B16R0.303 C=CCCCCCCNCCCCCCCC 34a_100000229939_100011215473 [0,0,0,0,0,0|2,0,0]=2 209 B16R0.303 C=CCCCCCCOC/C=C/CCCCC 34a_100016258190_100011215473 [0,0,0,0,0,0|2,0,2]=4 210 B16R0.303 C=CCCCCCCOC/C=C/CCCCC 7a_100016258190_100011215473 [0,0,0,0,0,0|2,0,2]=4 211 B16R0.303 C=CCCCCCCOCC/C=C\CCCC 34a_200016286491_100011215473 [0,0,0,0,0,0|2,0,2]=4 212 B16R0.303 C=CCCCCCCOCC/C=C\CCCC 7a_200016286491_100011215473 [0,0,0,0,0,0|2,0,2]=4 213 B16R0.303 C=CCCCCCCOCCCC/C=C\CC 34a_100016287862_100011215473 [0,0,0,0,0,0|2,0,2]=4 214 B16R0.303 C=CCCCCCCOCCCC/C=C\CC 7a_100016287862_100011215473 [0,0,0,0,0,0|2,0,2]=4 215 B16R0.303 C=CCCCCCCOCCCCCCC=C 34a_200011216477_100011215473 [0,0,0,0,0,0|2,0,2]=4 216 B16R0.303 C=CCCCCCCOCCCCCCC=C 7a_200011216477_100011215473 [0,0,0,0,0,0|2,0,2]=4 217 B16R0.303 C=CCCCCCCOCCCCCCCBr 34a_100000760002_100011215473 [0,0,0,0,0,0|3,0,0]=3 218 B16R0.303 C=CCCCCCCOCCCCCCCBr 7a_100000760002_100011215473 [0,0,0,0,0,0|3,0,0]=3 219 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_100000210232_100011215473 [0,0,0,0,0,0|2,0,0]=2 220 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_200011216477_100000210759 [0,0,0,0,0,0|2,0,0]=2 221 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_100000210232_100011215473 [0,0,0,0,0,0|2,0,0]=2 222 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_200011216477_100000210759 [0,0,0,0,0,0|2,0,0]=2 223 B16R0.303 C=CCCCCCCSCC#CCCCCC 62a_100009816472_100011215473 [0,0,0,0,0,0|2,0,2]=4 224 B16R0.303 C=CCCCCCCSCC#CCCCCC 62a_100011215473_100009816472 [0,0,0,0,0,0|2,0,2]=4 225 B16R0.303 C=CCCCCCCSCCCCCCC#N 62a_100009813337_100011215473 [0,0,0,0,0,0|3,0,1]=4 226 B16R0.303 C=CCCCCCCSCCCCCCC#N 62a_100011215473_100009813337 [0,0,0,0,0,0|3,0,1]=4 227 B16R0.303 C=CCCCCCCSCCCCCCC=C 62a_100011215473_100011215473 [0,0,0,0,0,0|2,0,2]=4 228 B16R0.303 C=CCCCCCCSCCCCCCOC 62a_100011215473_100011998445 [0,0,0,0,0,0|3,0,0]=3 229 B16R0.303 C=CCCCCCCSCCCCCCOC 62a_100011998445_100011215473 [0,0,0,0,0,0|3,0,0]=3 230 B16R0.303 C=CCCCCCNCCCCCCCCC 2230a_100000212291_100000700193 [0,0,0,0,0,0|2,0,0]=2 231 B16R0.303 C=CCCCCCNCCCCCCCCC 34a_100000212291_100000700193 [0,0,0,0,0,0|2,0,0]=2 232 B16R0.303 C=CCCCCCOC/C=C/CCCCCC 34a_200016276170_100000700193 [0,0,0,0,0,0|2,0,2]=4 233 B16R0.303 C=CCCCCCOC/C=C/CCCCCC 7a_200016276170_100000700193 [0,0,0,0,0,0|2,0,2]=4 234 B16R0.303 C=CCCCCCOCC/C=C\CCCCC 34a_100016277358_100000700193 [0,0,0,0,0,0|2,0,2]=4 235 B16R0.303 C=CCCCCCOCC/C=C\CCCCC 7a_100016277358_100000700193 [0,0,0,0,0,0|2,0,2]=4 236 B16R0.303 C=CCCCCCOCCCCC/C=C\CC 34a_100016268722_100000700193 [0,0,0,0,0,0|2,0,2]=4 237 B16R0.303 C=CCCCCCOCCCCC/C=C\CC 7a_100016268722_100000700193 [0,0,0,0,0,0|2,0,2]=4 238 B16R0.303 C=CCCCCCOCCCCCCCCBr 34a_100009813846_100000700193 [0,0,0,0,0,0|3,0,0]=3 239 B16R0.303 C=CCCCCCOCCCCCCCCBr 7a_100009813846_100000700193 [0,0,0,0,0,0|3,0,0]=3 240 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100000210712_100000700193 [0,0,0,0,0,0|2,0,0]=2 241 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100011216702_100011214924 [0,0,0,0,0,0|2,0,0]=2 242 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100000210712_100000700193 [0,0,0,0,0,0|2,0,0]=2 243 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100011216702_100000210328 [0,0,0,0,0,0|2,0,0]=2 244 B16R0.303 C=CCCCCCOCCCCCCCCCl 34a_100000033203_100000700193 [0,0,0,0,0,0|3,0,0]=3 245 B16R0.303 C=CCCCCCOCCCCCCCCCl 7a_100000033203_100000700193 [0,0,0,0,0,0|3,0,0]=3 246 B16R0.303 C=CCCCCCSCCCC#CCCCC 62a_100000700193_200000047210 [0,0,0,0,0,0|2,0,2]=4 247 B16R0.303 C=CCCCCCSCCCC#CCCCC 62a_200000047210_100000700193 [0,0,0,0,0,0|2,0,2]=4 248 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000684558_100011215482 [0,0,0,0,0,0|2,0,0]=2 249 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000703577_100000210320 [0,0,0,0,0,0|2,0,0]=2 250 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000684558_100011215482 [0,0,0,0,0,0|2,0,0]=2 251 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000703577_100000210320 [0,0,0,0,0,0|2,0,0]=2 252 B16R0.303 C=CCCCCOCCC/C=C\CCCCC 34a_100020655193_100011215482 [0,0,0,0,0,0|2,0,2]=4 253 B16R0.303 C=CCCCCOCCC/C=C\CCCCC 7a_100020655193_100011215482 [0,0,0,0,0,0|2,0,2]=4 254 B16R0.303 C=CCCCCOCCCC/C=C/CCCC 34a_200020645093_100011215482 [0,0,0,0,0,0|2,0,2]=4 255 B16R0.303 C=CCCCCOCCCC/C=C/CCCC 7a_200020645093_100011215482 [0,0,0,0,0,0|2,0,2]=4 256 B16R0.303 C=CCCCCOCCCCCCCCCBr 34a_100009813782_100011215482 [0,0,0,0,0,0|3,0,0]=3 257 B16R0.303 C=CCCCCOCCCCCCCCCBr 7a_100009813782_100011215482 [0,0,0,0,0,0|3,0,0]=3 258 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000210711_100011215482 [0,0,0,0,0,0|2,0,0]=2 259 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000766645_100000210320 [0,0,0,0,0,0|2,0,0]=2 260 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000210711_100011215482 [0,0,0,0,0,0|2,0,0]=2 261 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000766645_100000210320 [0,0,0,0,0,0|2,0,0]=2 262 B16R0.303 C=CCCCCOCCCCCCCCCCl 34a_100009868337_100011215482 [0,0,0,0,0,0|3,0,0]=3 263 B16R0.303 C=CCCCCOCCCCCCCCCCl 7a_100009868337_100011215482 [0,0,0,0,0,0|3,0,0]=3 264 B16R0.303 C=CCCCCSCCCCCCC#CCC 62a_100011215482_200000036426 [0,0,0,0,0,0|2,0,2]=4 265 B16R0.303 C=CCCCCSCCCCCCC#CCC 62a_200000036426_100011215482 [0,0,0,0,0,0|2,0,2]=4 266 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [0,0,0,0,0,0|2,0,0]=2 267 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [0,0,0,0,0,0|2,0,0]=2 268 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [0,0,0,0,0,0|2,0,0]=2 269 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [0,0,0,0,0,0|2,0,0]=2 270 B16R0.303 C=CCCCOC/C=C/CCCCCCCC 34a_200020667288_100000757094 [0,0,0,0,0,0|2,0,2]=4 271 B16R0.303 C=CCCCOC/C=C/CCCCCCCC 7a_200020667288_100000757094 [0,0,0,0,0,0|2,0,2]=4 272 B16R0.303 C=CCCCOCCCCCCCCCCBr 34a_100009813290_100000757094 [0,0,0,0,0,0|3,0,0]=3 273 B16R0.303 C=CCCCOCCCCCCCCCCBr 7a_100009813290_100000757094 [0,0,0,0,0,0|3,0,0]=3 274 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [0,0,0,0,0,0|2,0,0]=2 275 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [0,0,0,0,0,0|2,0,0]=2 276 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [0,0,0,0,0,0|2,0,0]=2 277 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [0,0,0,0,0,0|2,0,0]=2 278 B16R0.303 C=CCCCOCCCCCCCCCCCl 34a_200000033068_100000757094 [0,0,0,0,0,0|3,0,0]=3 279 B16R0.303 C=CCCCOCCCCCCCCCCCl 7a_200000033068_100000757094 [0,0,0,0,0,0|3,0,0]=3 280 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100000210451_100000754431 [0,0,0,0,0,0|2,0,0]=2 281 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100015191253_100011215052 [0,0,0,0,0,0|2,0,0]=2 282 B16R0.303 C=CCCNCCCCCCCCCCCC 270004a_100015191253_100011218549 [0,0,0,0,0,0|2,0,0]=2 283 B16R0.303 C=CCCNCCCCCCCCCCCC 34a_100000210451_100000754431 [0,0,0,0,0,0|2,0,0]=2 284 B16R0.303 C=CCCOC/C=C/CCCCCCCCC 34a_100015232335_100000754431 [0,0,0,0,0,0|2,0,2]=4 285 B16R0.303 C=CCCOC/C=C/CCCCCCCCC 7a_100015232335_100000754431 [0,0,0,0,0,0|2,0,2]=4 286 B16R0.303 C=CCCOCCCCCCCCCCCBr 34a_100009812471_100000754431 [0,0,0,0,0,0|3,0,0]=3 287 B16R0.303 C=CCCOCCCCCCCCCCCBr 7a_100009812471_100000754431 [0,0,0,0,0,0|3,0,0]=3 288 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [0,0,0,0,0,0|2,0,0]=2 289 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [0,0,0,0,0,0|2,0,0]=2 290 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [0,0,0,0,0,0|2,0,0]=2 291 B16R0.303 C=CCCSCCCCCCC#CCCCC 62a_100000754431_200000043322 [0,0,0,0,0,0|2,0,2]=4 292 B16R0.303 C=CCCSCCCCCCC#CCCCC 62a_200000043322_100000754431 [0,0,0,0,0,0|2,0,2]=4 293 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100011215765_100000210623 [0,0,0,0,0,0|2,0,0]=2 294 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100020586998_100000210684 [0,0,0,0,0,0|2,0,0]=2 295 B16R0.303 C=CCNCCCCCCCCCCCCC 270004a_100020586998_200011215488 [0,0,0,0,0,0|2,0,0]=2 296 B16R0.303 C=CCNCCCCCCCCCCCCC 34a_100011215765_100015514636 [0,0,0,0,0,0|2,0,0]=2 297 B16R0.303 C=CCOC/C=C/CCCCCCCCCC 34a_200025761149_100015514636 [0,0,0,0,0,0|2,0,2]=4 298 B16R0.303 C=CCOC/C=C/CCCCCCCCCC 7a_200025761149_100015514636 [0,0,0,0,0,0|2,0,2]=4 299 B16R0.303 C=CCOCCCCCCCCCCCCBr 34a_100009813331_100015514636 [0,0,0,0,0,0|3,0,0]=3 300 B16R0.303 C=CCOCCCCCCCCCCCCBr 7a_100009813331_100015514636 [0,0,0,0,0,0|3,0,0]=3 301 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_100000185773_100015514636 [0,0,0,0,0,0|2,0,0]=2 302 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_200000210373_100000210684 [0,0,0,0,0,0|2,0,0]=2 303 B16R0.303 C=CCOCCCCCCCCCCCCC 7a_100000185773_100015514636 [0,0,0,0,0,0|2,0,0]=2 304 B16R0.303 C=CCOCCSCCCCCCCCCC 34a_100011628728_100015514636 [0,0,0,0,0,0|3,0,0]=3 305 B16R0.303 C=CCOCCSCCCCCCCCCC 7a_100011628728_100015514636 [0,0,0,0,0,0|3,0,0]=3 306 B16R0.303 C=COCCSCCCCCCCCCCC 62a_100000039644_100011215454 [0,0,0,0,0,0|3,0,0]=3 307 B16R0.303 CC#CCSCCCCCCCCCCCC 62a_100000748600_100000759014 [0,0,0,0,0,0|2,0,2]=4 308 B16R0.303 CC=C=CCCOCCCCCCCCCC 34a_100011020354_100000210320 [0,0,0,0,0,0|2,0,2]=4 309 B16R0.303 CC=CCCCOCCCCCCCCCC 34a_100020645299_100000210320 [0,0,0,0,0,0|2,0,1]=3 310 B16R0.303 CC=CCNCCCCCCCCCCCC 2230a_100000210451_100000070051 [0,0,0,0,0,0|2,0,1]=3 311 B16R0.303 CC=CCNCCCCCCCCCCCC 34a_100000210451_100000070051 [0,0,0,0,0,0|2,0,1]=3 312 B16R0.303 CC=CCOCCCCCCCCCCCBr 34a_100009812471_100000070051 [0,0,0,0,0,0|3,0,1]=4 313 B16R0.303 CC=CCOCCCCCCCCCCCBr 7a_100009812471_100000070051 [0,0,0,0,0,0|3,0,1]=4 314 B16R0.303 CC=CCOCCCCCCCCCCCC 34a_100000210810_100000070051 [0,0,0,0,0,0|2,0,1]=3 315 B16R0.303 CC=CCOCCCCCCCCCCCC 7a_100000210810_100000070051 [0,0,0,0,0,0|2,0,1]=3 316 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_106832991635_100000210322 [0,0,0,0,0,0|2,0,0]=2 317 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_200000297553_200000210301 [0,0,0,0,0,0|2,0,0]=2 318 B16R0.303 CCCCCCCCCCCCCCCNC 270004a_106832991635_100012088177 [0,0,0,0,0,0|2,0,0]=2 319 B16R0.303 CCCCCCCCCCCCCCCNC 34a_100102657272_100000210322 [0,0,0,0,0,0|2,0,0]=2 320 B16R0.303 CCCCCCCCCCCCCCCNC 34a_200000297553_200000210301 [0,0,0,0,0,0|2,0,0]=2 321 B16R0.303 CCCCCCCCCCCCCCCNC 7a_106832991635_100000210322 [0,0,0,0,0,0|2,0,0]=2 322 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 2230a_200000297553_200025704644 [0,0,0,0,0,0|2,0,0]=2 323 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 34a_200000297553_200025704644 [0,0,0,0,0,0|2,0,0]=2 324 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100000272386_200000210301 [0,0,0,0,0,0|2,0,0]=2 325 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100138415774_100000210322 [0,0,0,0,0,0|2,0,0]=2 326 B16R0.303 CCCCCCCCCCCCCCCOC 7a_100000272386_200000210301 [0,0,0,0,0,0|2,0,0]=2 327 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 34a_100000272386_200025704644 [0,0,0,0,0,0|2,0,0]=2 328 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 7a_100000272386_200025704644 [0,0,0,0,0,0|2,0,0]=2 329 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100011217771_100000210202 [0,0,0,0,0,0|2,0,1]=3 330 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100015525214_100011215471 [0,0,0,0,0,0|2,0,1]=3 331 B16R0.303 CCCCCCCCCCCCCCNCC 270004a_100015525214_200011216147 [0,0,0,0,0,0|2,0,1]=3 332 B16R0.303 CCCCCCCCCCCCCCNCC 34a_100011217771_100000210202 [0,0,0,0,0,0|2,0,1]=3 333 B16R0.303 CCCCCCCCCCCCCCNCF 34a_100011217771_100015361967 [0,0,0,0,0,0|2,0,1]=3 334 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100000210739_100000210202 [0,0,0,0,0,0|2,0,1]=3 335 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100121572206_100011215471 [0,0,0,0,0,0|2,0,1]=3 336 B16R0.303 CCCCCCCCCCCCCCOCC 7a_100000210739_100000210202 [0,0,0,0,0,0|2,0,1]=3 337 B16R0.303 CCCCCCCCCCCCCCOCF 34a_100000210739_100015361967 [0,0,0,0,0,0|2,0,1]=3 338 B16R0.303 CCCCCCCCCCCCCCOCF 7a_100000210739_100015361967 [0,0,0,0,0,0|2,0,1]=3 339 B16R0.303 CCCCCCCCCCCCCNCCC 2230a_100011215765_100000210303 [0,0,0,0,0,0|2,0,1]=3 340 B16R0.303 CCCCCCCCCCCCCNCCC 270004a_100020643023_200011215488 [0,0,0,0,0,0|2,0,1]=3 341 B16R0.303 CCCCCCCCCCCCCNCCC 34a_100011215765_100000210303 [0,0,0,0,0,0|2,0,1]=3 342 B16R0.303 CCCCCCCCCCCCCNCSC 2230a_100011215765_100011218213 [0,0,0,0,0,0|3,0,0]=3 343 B16R0.303 CCCCCCCCCCCCCNCSC 34a_100011215765_100011218213 [0,0,0,0,0,0|3,0,0]=3 344 B16R0.303 CCCCCCCCCCCCCOCCBr 34a_100000211926_100000210684 [0,0,0,0,0,0|2,0,1]=3 345 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000185773_100000210303 [0,0,0,0,0,0|2,0,1]=3 346 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000210258_100000210684 [0,0,0,0,0,0|2,0,1]=3 347 B16R0.303 CCCCCCCCCCCCCOCCC 7a_100000185773_100000210303 [0,0,0,0,0,0|2,0,1]=3 348 B16R0.303 CCCCCCCCCCCCCOCCF 34a_100000185773_100011217306 [0,0,0,0,0,0|2,0,1]=3 349 B16R0.303 CCCCCCCCCCCCCOCCF 7a_100000185773_100011217306 [0,0,0,0,0,0|2,0,1]=3 350 B16R0.303 CCCCCCCCCCCCCOCSC 34a_100000185773_100011218213 [0,0,0,0,0,0|3,0,0]=3 351 B16R0.303 CCCCCCCCCCCCCSCC#N 62a_100011215382_100011934334 [0,0,0,0,0,0|2,0,1]=3 352 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [0,0,0,0,0,0|1,0,0]=1 353 B16R0.303 CCCCCCCCCCCCCSCCO 62a_100000211926_100011934334 [0,0,0,0,0,0|1,0,2]=3 354 B16R0.303 CCCCCCCCCCCCCSCOC 62a_100000766300_100011934334 [0,0,0,0,0,0|3,0,0]=3 355 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000102301_100011215052 [0,0,0,0,0,0|2,0,1]=3 356 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000210451_100000210211 [0,0,0,0,0,0|2,0,1]=3 357 B16R0.303 CCCCCCCCCCCCNCCCC 270004a_100000102301_100011218549 [0,0,0,0,0,0|2,0,1]=3 358 B16R0.303 CCCCCCCCCCCCNCCCC 34a_100000210451_100000210210 [0,0,0,0,0,0|2,0,1]=3 359 B16R0.303 CCCCCCCCCCCCNCCCC 7a_106832991798_100000759014 [0,0,0,0,0,0|2,0,1]=3 360 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [0,0,0,0,0,0|2,0,1]=3 361 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [0,0,0,0,0,0|2,0,1]=3 362 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [0,0,0,0,0,0|2,0,1]=3 363 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [0,0,0,0,0,0|2,0,1]=3 364 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [0,0,0,0,0,0|2,0,1]=3 365 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [0,0,0,0,0,0|2,0,1]=3 366 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [0,0,0,0,0,0|2,0,1]=3 367 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [0,0,0,0,0,0|2,0,1]=3 368 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [0,0,0,0,0,0|2,0,1]=3 369 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000210810_100000212216 [0,0,0,0,0,0|3,0,0]=3 370 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000230434_100000759014 [0,0,0,0,0,0|3,0,0]=3 371 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000210810_100000212216 [0,0,0,0,0,0|3,0,0]=3 372 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000230434_100000759014 [0,0,0,0,0,0|3,0,0]=3 373 B16R0.303 CCCCCCCCCCCCSCCC#N 62a_100011215226_100000759014 [0,0,0,0,0,0|2,0,1]=3 374 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [0,0,0,0,0,0|1,0,2]=3 375 B16R0.303 CCCCCCCCCCCCSCCOC 34a_100005618841_200000210301 [0,0,0,0,0,0|3,0,0]=3 376 B16R0.303 CCCCCCCCCCCCSCCOC 62a_100000233755_100000759014 [0,0,0,0,0,0|3,0,0]=3 377 B16R0.303 CCCCCCCCCCCCSCCOC 7a_100005618841_200000210301 [0,0,0,0,0,0|3,0,0]=3 378 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 34a_100005618841_200025704644 [0,0,0,0,0,0|3,0,0]=3 379 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 7a_100005618841_200025704644 [0,0,0,0,0,0|3,0,0]=3 380 B16R0.303 CCCCCCCCCCCCSCOCC 62a_100000739092_100000759014 [0,0,0,0,0,0|3,0,1]=4 381 B16R0.303 CCCCCCCCCCCCSCSC#N 62a_100000211825_100000759014 [0,0,0,0,0,0|3,0,1]=4 382 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_100000209983_100011215454 [0,0,0,0,0,0|2,0,1]=3 383 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_200011215754_100000210326 [0,0,0,0,0,0|2,0,1]=3 384 B16R0.303 CCCCCCCCCCCNCCCCC 34a_200011215754_100000718602 [0,0,0,0,0,0|2,0,1]=3 385 B16R0.303 CCCCCCCCCCCOCCCCBr 34a_100011216708_100011215454 [0,0,0,0,0,0|2,0,1]=3 386 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210253_100011215454 [0,0,0,0,0,0|2,0,1]=3 387 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210809_100000718602 [0,0,0,0,0,0|2,0,1]=3 388 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210253_100011215454 [0,0,0,0,0,0|2,0,1]=3 389 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210809_100000210326 [0,0,0,0,0,0|2,0,1]=3 390 B16R0.303 CCCCCCCCCCCOCCCCCl 34a_100000210776_100011215454 [0,0,0,0,0,0|2,0,1]=3 391 B16R0.303 CCCCCCCCCCCOCCCCCl 7a_100000210776_100011215454 [0,0,0,0,0,0|2,0,1]=3 392 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100000210809_100000729493 [0,0,0,0,0,0|2,0,1]=3 393 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100011995726_100011215454 [0,0,0,0,0,0|2,0,1]=3 394 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100000210809_100000729493 [0,0,0,0,0,0|2,0,1]=3 395 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100011995726_100011215454 [0,0,0,0,0,0|2,0,1]=3 396 B16R0.303 CCCCCCCCCCCOCCCCI 34a_200012148704_100011215454 [0,0,0,0,0,0|2,0,1]=3 397 B16R0.303 CCCCCCCCCCCOCCCSC 34a_100000690336_100011215454 [0,0,0,0,0,0|3,0,0]=3 398 B16R0.303 CCCCCCCCCCCOCCCSC 7a_100000690336_100011215454 [0,0,0,0,0,0|3,0,0]=3 399 B16R0.303 CCCCCCCCCCCOCCSCC 34a_100000210809_100000757381 [0,0,0,0,0,0|3,0,1]=4 400 B16R0.303 CCCCCCCCCCCOCCSCC 34a_100000212035_100011215454 [0,0,0,0,0,0|3,0,1]=4 401 B16R0.303 CCCCCCCCCCCOCCSCC 7a_100000210809_100000757381 [0,0,0,0,0,0|3,0,1]=4 402 B16R0.303 CCCCCCCCCCCOCCSCC 7a_100000212035_100011215454 [0,0,0,0,0,0|3,0,1]=4 403 B16R0.303 CCCCCCCCCCCSCCCC#N 62a_100000687738_100011215454 [0,0,0,0,0,0|2,0,1]=3 404 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [0,0,0,0,0,0|1,0,0]=1 405 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [0,0,0,0,0,0|1,0,2]=3 406 B16R0.303 CCCCCCCCCCCSCCCOC 62a_100000709357_100011215454 [0,0,0,0,0,0|3,0,0]=3 407 B16R0.303 CCCCCCCCCCCSCCOCC 62a_100000210147_100011215454 [0,0,0,0,0,0|3,0,1]=4 408 B16R0.303 CCCCCCCCCCCSCCSC#N 62a_100000034367_100011215454 [0,0,0,0,0,0|3,0,1]=4 409 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000210581_100000210320 [0,0,0,0,0,0|2,0,1]=3 410 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000684558_100000210314 [0,0,0,0,0,0|2,0,1]=3 411 B16R0.303 CCCCCCCCCCNCCCCCC 34a_100000684558_100000210314 [0,0,0,0,0,0|2,0,1]=3 412 B16R0.303 CCCCCCCCCCOCCCCCBr 34a_100000746331_100000210320 [0,0,0,0,0,0|2,0,1]=3 413 B16R0.303 CCCCCCCCCCOCCCCCBr 7a_100000746331_100000210320 [0,0,0,0,0,0|2,0,1]=3 414 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210259_100000210320 [0,0,0,0,0,0|2,0,1]=3 415 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210711_100000210314 [0,0,0,0,0,0|2,0,1]=3 416 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210259_100000210320 [0,0,0,0,0,0|2,0,1]=3 417 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210711_100000210314 [0,0,0,0,0,0|2,0,1]=3 418 B16R0.303 CCCCCCCCCCOCCCCCCl 34a_100000746330_100000210320 [0,0,0,0,0,0|2,0,1]=3 419 B16R0.303 CCCCCCCCCCOCCCCCCl 7a_100000746330_100000210320 [0,0,0,0,0,0|2,0,1]=3 420 B16R0.303 CCCCCCCCCCOCCCCCF 34a_100000210711_100000729378 [0,0,0,0,0,0|2,0,1]=3 421 B16R0.303 CCCCCCCCCCOCCCCCF 7a_100000210711_100000729378 [0,0,0,0,0,0|2,0,1]=3 422 B16R0.303 CCCCCCCCCCOCCCCCI 34a_200012148887_100000210320 [0,0,0,0,0,0|2,0,1]=3 423 B16R0.303 CCCCCCCCCCOCCCCCI 7a_200012148887_100000210320 [0,0,0,0,0,0|2,0,1]=3 424 B16R0.303 CCCCCCCCCCOCCCCSC 34a_100011217163_100000210320 [0,0,0,0,0,0|3,0,0]=3 425 B16R0.303 CCCCCCCCCCOCCCCSC 7a_100011217163_100000210320 [0,0,0,0,0,0|3,0,0]=3 426 B16R0.303 CCCCCCCCCCOCCCSCC 34a_100011216438_100000210320 [0,0,0,0,0,0|3,0,1]=4 427 B16R0.303 CCCCCCCCCCOCCCSCC 7a_100011216438_100000210320 [0,0,0,0,0,0|3,0,1]=4 428 B16R0.303 CCCCCCCCCCOCCSCCC 34a_200000230433_100000210320 [0,0,0,0,0,0|3,0,1]=4 429 B16R0.303 CCCCCCCCCCOCCSCCC 7a_200000230433_100000210320 [0,0,0,0,0,0|3,0,1]=4 430 B16R0.303 CCCCCCCCCCSCCCCC#N 62a_100011219923_100000210320 [0,0,0,0,0,0|2,0,1]=3 431 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [0,0,0,0,0,0|1,0,0]=1 432 B16R0.303 CCCCCCCCCCSCCCCCO 62a_100000746330_100000210320 [0,0,0,0,0,0|1,0,2]=3 433 B16R0.303 CCCCCCCCCCSCCCCOC 62a_100000730899_100000210320 [0,0,0,0,0,0|3,0,0]=3 434 B16R0.303 CCCCCCCCCCSCCCOCC 62a_100012232248_100000210320 [0,0,0,0,0,0|3,0,1]=4 435 B16R0.303 CCCCCCCCCCSCCOCCC 34a_100011628728_100000210303 [0,0,0,0,0,0|3,0,1]=4 436 B16R0.303 CCCCCCCCCCSCCOCCC 62a_100011215938_100000210320 [0,0,0,0,0,0|3,0,1]=4 437 B16R0.303 CCCCCCCCCCSCCOCCC 7a_100011628728_100000210303 [0,0,0,0,0,0|3,0,1]=4 438 B16R0.303 CCCCCCCCCCSCCOCSC 34a_100011628728_100011218213 [0,0,0,0,0,0|4,0,0]=4 439 B16R0.303 CCCCCCCCCCSCOCCCC 62a_100011995733_100000210320 [0,0,0,0,0,0|3,0,1]=4 440 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000212291_100000210681 [0,0,0,0,0,0|2,0,1]=3 441 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000229938_100011214924 [0,0,0,0,0,0|2,0,1]=3 442 B16R0.303 CCCCCCCCCNCCCCCCC 34a_100000212291_100000210614 [0,0,0,0,0,0|2,0,1]=3 443 B16R0.303 CCCCCCCCCOCCCCCCBr 34a_100011215345_100011214924 [0,0,0,0,0,0|2,0,1]=3 444 B16R0.303 CCCCCCCCCOCCCCCCBr 7a_100011215345_100000210328 [0,0,0,0,0,0|2,0,1]=3 445 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210272_100011214924 [0,0,0,0,0,0|2,0,1]=3 446 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210712_100000210614 [0,0,0,0,0,0|2,0,1]=3 447 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210272_100000210328 [0,0,0,0,0,0|2,0,1]=3 448 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210712_100000210614 [0,0,0,0,0,0|2,0,1]=3 449 B16R0.303 CCCCCCCCCOCCCCCCCl 34a_100000766143_100011214924 [0,0,0,0,0,0|2,0,1]=3 450 B16R0.303 CCCCCCCCCOCCCCCCCl 7a_100000766143_100000210328 [0,0,0,0,0,0|2,0,1]=3 451 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000210712_100015922095 [0,0,0,0,0,0|2,0,1]=3 452 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000732779_100011214924 [0,0,0,0,0,0|2,0,1]=3 453 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000210712_100015922095 [0,0,0,0,0,0|2,0,1]=3 454 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000732779_100000210328 [0,0,0,0,0,0|2,0,1]=3 455 B16R0.303 CCCCCCCCCOCCSCCCC 34a_200000230436_100011214924 [0,0,0,0,0,0|3,0,1]=4 456 B16R0.303 CCCCCCCCCOCCSCCCC 7a_200000230436_100000210328 [0,0,0,0,0,0|3,0,1]=4 457 B16R0.303 CCCCCCCCCSCCCCCC#N 62a_100009813376_100000210670 [0,0,0,0,0,0|2,0,1]=3 458 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [0,0,0,0,0,0|1,0,0]=1 459 B16R0.303 CCCCCCCCCSCCCCCCO 62a_100000766143_100000210670 [0,0,0,0,0,0|1,0,2]=3 460 B16R0.303 CCCCCCCCCSCCOCCCC 62a_100000743108_100000210670 [0,0,0,0,0,0|3,0,1]=4 461 B16R0.303 CCCCCCCCNCCCCCCCC 2230a_100000229939_100000210759 [0,0,0,0,0,0|2,0,1]=3 462 B16R0.303 CCCCCCCCNCCCCCCCC 34a_100000229939_100000210759 [0,0,0,0,0,0|2,0,1]=3 463 B16R0.303 CCCCCCCCOCCCCCCCBr 34a_100000760002_100000210759 [0,0,0,0,0,0|2,0,1]=3 464 B16R0.303 CCCCCCCCOCCCCCCCBr 7a_100000760002_100000210759 [0,0,0,0,0,0|2,0,1]=3 465 B16R0.303 CCCCCCCCOCCCCCCCC 34a_100000210232_100000210759 [0,0,0,0,0,0|2,0,1]=3 466 B16R0.303 CCCCCCCCOCCCCCCCC 7a_100000210232_100000210759 [0,0,0,0,0,0|2,0,1]=3 467 B16R0.303 CCCCCCCCSCCCCCCC#N 62a_100000210759_100009813337 [0,0,0,0,0,0|2,0,1]=3 468 B16R0.303 CCCCCCCCSCCCCCCC#N 62a_100009813337_100000210317 [0,0,0,0,0,0|2,0,1]=3 469 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000210759_100000760002 [0,0,0,0,0,0|1,0,2]=3 470 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000760002_100000210317 [0,0,0,0,0,0|1,0,2]=3 471 B16R0.303 CCCCCCCCSCCCCCCOC 62a_100000210759_100011998445 [0,0,0,0,0,0|3,0,0]=3 472 B16R0.303 CCCCCCCCSCCCCCCOC 62a_100011998445_100000210317 [0,0,0,0,0,0|3,0,0]=3 473 B16R0.303 CCCCCCCOCCCCCCCCBr 34a_100009813846_100000210614 [0,0,0,0,0,0|2,0,1]=3 474 B16R0.303 CCCCCCCOCCCCCCCCBr 7a_100009813846_100000210614 [0,0,0,0,0,0|2,0,1]=3 475 B16R0.303 CCCCCCCOCCCCCCCCCl 34a_100000033203_100000210614 [0,0,0,0,0,0|2,0,1]=3 476 B16R0.303 CCCCCCCOCCCCCCCCCl 7a_100000033203_100000210614 [0,0,0,0,0,0|2,0,1]=3 477 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [0,0,0,0,0,0|1,0,2]=3 478 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [0,0,0,0,0,0|1,0,2]=3 479 B16R0.303 CCCCCCOCCCCCCCCCBr 34a_100009813782_100000210314 [0,0,0,0,0,0|2,0,1]=3 480 B16R0.303 CCCCCCOCCCCCCCCCBr 7a_100009813782_100000210314 [0,0,0,0,0,0|2,0,1]=3 481 B16R0.303 CCCCCCOCCCCCCCCCCl 34a_100009868337_100000210314 [0,0,0,0,0,0|2,0,1]=3 482 B16R0.303 CCCCCCOCCCCCCCCCCl 7a_100009868337_100000210314 [0,0,0,0,0,0|2,0,1]=3 483 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [0,0,0,0,0,0|1,0,2]=3 484 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [0,0,0,0,0,0|1,0,2]=3 485 B16R0.303 CCCCCOCCCCCCCCCCBr 34a_100009813290_100000718602 [0,0,0,0,0,0|2,0,1]=3 486 B16R0.303 CCCCCOCCCCCCCCCCBr 7a_100009813290_100000210326 [0,0,0,0,0,0|2,0,1]=3 487 B16R0.303 CCCCCOCCCCCCCCCCCl 34a_200000033068_100000718602 [0,0,0,0,0,0|2,0,1]=3 488 B16R0.303 CCCCCOCCCCCCCCCCCl 7a_200000033068_100000210326 [0,0,0,0,0,0|2,0,1]=3 489 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [0,0,0,0,0,0|1,0,2]=3 490 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [0,0,0,0,0,0|1,0,2]=3 491 B16R0.303 CCCCOCCCCCCCCCCCBr 34a_100009812471_100000210210 [0,0,0,0,0,0|2,0,1]=3 492 B16R0.303 CCCCOCCCCCCCCCCCBr 7a_100009812471_100000210211 [0,0,0,0,0,0|2,0,1]=3 493 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [0,0,0,0,0,0|1,0,2]=3 494 B16R0.303 CCCOCCCCCCCCCCCCBr 34a_100009813331_100000210303 [0,0,0,0,0,0|2,0,1]=3 495 B16R0.303 CCCOCCCCCCCCCCCCBr 7a_100009813331_100000210303 [0,0,0,0,0,0|2,0,1]=3 496 B16R0.303 CCCSCCCCCCCCCCCCO 62a_100009813331_100000210303 [0,0,0,0,0,0|1,0,2]=3 497 B16R0.303 CCOCCCCCCCCCCCCCBr 34a_100009812470_100000210202 [0,0,0,0,0,0|2,0,1]=3 498 B16R0.303 CCOCCCCCCCCCCCCCBr 7a_100009812470_100000210202 [0,0,0,0,0,0|2,0,1]=3 499 B16R0.303 CCSCCCCCCCCCCCCCO 62a_100009812470_100000210202 [0,0,0,0,0,0|1,0,2]=3 500 B16R0.303 CCSCCOCCCCCCCCCCBr 34a_100009813290_100000757381 [0,0,0,0,0,0|3,0,1]=4 501 B16R0.303 CCSCCOCCCCCCCCCCBr 7a_100009813290_100000757381 [0,0,0,0,0,0|3,0,1]=4 502 B16R0.303 CCSCCOCCCCCCCCCCCl 34a_200000033068_100000757381 [0,0,0,0,0,0|3,0,1]=4 503 B16R0.303 CCSCCOCCCCCCCCCCCl 7a_200000033068_100000757381 [0,0,0,0,0,0|3,0,1]=4 504 B16R0.303 COCCCCCCCCCCCCCCBr 34a_100009828009_200000210301 [0,0,0,0,0,0|2,0,1]=3 505 B16R0.303 COCCCCCCCCCCCCCCBr 7a_100009828009_200000210301 [0,0,0,0,0,0|2,0,1]=3 506 B16R0.303 CSCCOCCCCCCCCCCCBr 34a_100009812471_100000212216 [0,0,0,0,0,0|3,0,1]=4 507 B16R0.303 CSCCOCCCCCCCCCCCBr 7a_100009812471_100000212216 [0,0,0,0,0,0|3,0,1]=4 508 B16R0.303 CSCOCCCCCCCCCCCCBr 34a_100009813331_100011218213 [0,0,0,0,0,0|3,0,1]=4 509 B16R0.303 FCCCCCCOCCCCCCCCBr 34a_100009813846_100015922095 [0,0,0,0,0,0|3,0,1]=4 510 B16R0.303 FCCCCCCOCCCCCCCCBr 7a_100009813846_100015922095 [0,0,0,0,0,0|3,0,1]=4 511 B16R0.303 FCCCCCCOCCCCCCCCCl 34a_100000033203_100015922095 [0,0,0,0,0,0|3,0,1]=4 512 B16R0.303 FCCCCCCOCCCCCCCCCl 7a_100000033203_100015922095 [0,0,0,0,0,0|3,0,1]=4 513 B16R0.303 FCCCCCOCCCCCCCCCBr 34a_100009813782_100000729378 [0,0,0,0,0,0|3,0,1]=4 514 B16R0.303 FCCCCCOCCCCCCCCCBr 7a_100009813782_100000729378 [0,0,0,0,0,0|3,0,1]=4 515 B16R0.303 FCCCCCOCCCCCCCCCCl 34a_100009868337_100000729378 [0,0,0,0,0,0|3,0,1]=4 516 B16R0.303 FCCCCCOCCCCCCCCCCl 7a_100009868337_100000729378 [0,0,0,0,0,0|3,0,1]=4 517 B16R0.303 FCCCCOCCCCCCCCCCBr 34a_100009813290_100000729493 [0,0,0,0,0,0|3,0,1]=4 518 B16R0.303 FCCCCOCCCCCCCCCCBr 7a_100009813290_100000729493 [0,0,0,0,0,0|3,0,1]=4 519 B16R0.303 FCCCCOCCCCCCCCCCCl 34a_200000033068_100000729493 [0,0,0,0,0,0|3,0,1]=4 520 B16R0.303 FCCCCOCCCCCCCCCCCl 7a_200000033068_100000729493 [0,0,0,0,0,0|3,0,1]=4 521 B16R0.303 FCCCOCCCCCCCCCCCBr 34a_100009812471_100011934791 [0,0,0,0,0,0|3,0,1]=4 522 B16R0.303 FCCCOCCCCCCCCCCCBr 7a_100009812471_100011934791 [0,0,0,0,0,0|3,0,1]=4 523 B16R0.303 FCCOCCCCCCCCCCCCBr 34a_100009813331_100011217306 [0,0,0,0,0,0|3,0,1]=4 524 B16R0.303 FCCOCCCCCCCCCCCCBr 7a_100009813331_100011217306 [0,0,0,0,0,0|3,0,1]=4 525 B16R0.303 FCOCCCCCCCCCCCCCBr 34a_100009812470_100015361967 [0,0,0,0,0,0|3,0,1]=4 526 B16R0.303 FCOCCCCCCCCCCCCCBr 7a_100009812470_100015361967 [0,0,0,0,0,0|3,0,1]=4 527 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 34a_100009828009_200025704644 [0,0,0,0,0,0|2,0,1]=3 528 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 7a_100009828009_200025704644 [0,0,0,0,0,0|2,0,1]=3 529 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100000210314_100153394163 [1,0,0,0,0,0|1,0,2]=4 530 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100153394163_100000210757 [1,0,0,0,0,0|1,0,2]=4 531 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100000210614_100012276617 [1,0,0,0,0,0|1,0,2]=4 532 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100012276617_100000210316 [1,0,0,0,0,0|1,0,2]=4 533 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100000210759_100012094781 [1,0,0,0,0,0|1,0,2]=4 534 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100012094781_100000210317 [1,0,0,0,0,0|1,0,2]=4 535 B15R0.70 C#CCCCCSCCCCCCCCC 62a_100010269958_100000210670 [1,0,0,0,0,0|1,0,2]=4 536 B15R0.70 C#CCCCSCCCCCCCCCC 62a_100011215417_100000210320 [1,0,0,0,0,0|1,0,2]=4 537 B15R0.70 C#CCCSCCCCCCCCCCC 62a_100000688953_100011215454 [1,0,0,0,0,0|1,0,2]=4 538 B15R0.70 C#CCSCCCCCCCCCCCC 62a_100000038162_100000759014 [1,0,0,0,0,0|1,0,2]=4 539 B15R0.70 C/C=C/CCOCCCCCCCCCC 34a_100016278192_100000210320 [1,0,0,0,0,0|2,0,1]=4 540 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100000210809_100102629194 [1,0,0,0,0,0|2,0,1]=4 541 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100016270725_100011215454 [1,0,0,0,0,0|2,0,1]=4 542 B15R0.70 C/C=C/COCCCCCCCCCCC 7a_100000210809_100102629194 [1,0,0,0,0,0|2,0,1]=4 543 B15R0.70 C/C=C/CSCCCCCCCCCCC 62a_100102629194_100011215454 [1,0,0,0,0,0|2,0,1]=4 544 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [1,0,0,0,0,0|1,0,1]=3 545 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [1,0,0,0,0,0|1,0,1]=3 546 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [1,0,0,0,0,0|1,0,1]=3 547 B15R0.70 C=CCCCCCCCCCCCSCF 62a_100015361967_102130925996 [1,0,0,0,0,0|2,0,1]=4 548 B15R0.70 C=CCCCCCCCCCCCSCF 62a_102130925996_100015361967 [1,0,0,0,0,0|2,0,1]=4 549 B15R0.70 C=CCCCCCCCCCCOCCBr 34a_100000211926_100011093070 [1,0,0,0,0,0|2,0,1]=4 550 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [1,0,0,0,0,0|1,0,1]=3 551 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [1,0,0,0,0,0|1,0,1]=3 552 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [1,0,0,0,0,0|1,0,1]=3 553 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011093070_100011217306 [1,0,0,0,0,0|2,0,1]=4 554 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011217306_100011093070 [1,0,0,0,0,0|2,0,1]=4 555 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100000766300_100011093070 [1,0,0,0,0,0|2,0,1]=4 556 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100011093070_100000766300 [1,0,0,0,0,0|2,0,1]=4 557 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011093070_100011218213 [1,0,0,0,0,0|2,0,1]=4 558 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011218213_100011093070 [1,0,0,0,0,0|2,0,1]=4 559 B15R0.70 C=CCCCCCCCCCOCCCBr 34a_100011217188_100009814027 [1,0,0,0,0,0|2,0,1]=4 560 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [1,0,0,0,0,0|1,0,1]=3 561 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [1,0,0,0,0,0|1,0,1]=3 562 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [1,0,0,0,0,0|1,0,1]=3 563 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [1,0,0,0,0,0|1,0,1]=3 564 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [1,0,0,0,0,0|1,0,1]=3 565 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [1,0,0,0,0,0|1,0,1]=3 566 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100009814027_100011934791 [1,0,0,0,0,0|2,0,1]=4 567 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100011934791_100009814027 [1,0,0,0,0,0|2,0,1]=4 568 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100000212216_100009814027 [1,0,0,0,0,0|2,0,1]=4 569 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100009814027_100000751147 [1,0,0,0,0,0|2,0,1]=4 570 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100000739092_100009814027 [1,0,0,0,0,0|2,0,1]=4 571 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100009814027_100000739092 [1,0,0,0,0,0|2,0,1]=4 572 B15R0.70 C=CCCCCCCCCOCCCCBr 34a_100011216708_100011933949 [1,0,0,0,0,0|2,0,1]=4 573 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [1,0,0,0,0,0|1,0,1]=3 574 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [1,0,0,0,0,0|1,0,1]=3 575 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [1,0,0,0,0,0|1,0,1]=3 576 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [1,0,0,0,0,0|1,0,1]=3 577 B15R0.70 C=CCCCCCCCCOCCCCI 34a_200012148704_100011933949 [1,0,0,0,0,0|2,0,1]=4 578 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [1,0,0,0,0,0|1,0,1]=3 579 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [1,0,0,0,0,0|1,0,1]=3 580 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100000729493_100011933949 [1,0,0,0,0,0|2,0,1]=4 581 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100011933949_100000729493 [1,0,0,0,0,0|2,0,1]=4 582 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100000757381_100011933949 [1,0,0,0,0,0|2,0,1]=4 583 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100011933949_100000757381 [1,0,0,0,0,0|2,0,1]=4 584 B15R0.70 C=CCCCCCCCOCCCCCBr 34a_100000746331_100012355270 [1,0,0,0,0,0|2,0,1]=4 585 B15R0.70 C=CCCCCCCCOCCCCCBr 7a_100000746331_100012355270 [1,0,0,0,0,0|2,0,1]=4 586 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [1,0,0,0,0,0|1,0,1]=3 587 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [1,0,0,0,0,0|1,0,1]=3 588 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [1,0,0,0,0,0|1,0,1]=3 589 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [1,0,0,0,0,0|1,0,1]=3 590 B15R0.70 C=CCCCCCCCOCCCCCI 34a_200012148887_100012355270 [1,0,0,0,0,0|2,0,1]=4 591 B15R0.70 C=CCCCCCCCOCCCCCI 7a_200012148887_100012355270 [1,0,0,0,0,0|2,0,1]=4 592 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [1,0,0,0,0,0|1,0,1]=3 593 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [1,0,0,0,0,0|1,0,1]=3 594 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100000729378_100012355270 [1,0,0,0,0,0|2,0,1]=4 595 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100012355270_100000729378 [1,0,0,0,0,0|2,0,1]=4 596 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100011995733_100012355270 [1,0,0,0,0,0|2,0,1]=4 597 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100012355270_100011995733 [1,0,0,0,0,0|2,0,1]=4 598 B15R0.70 C=CCCCCCCOCCCCCCBr 34a_100011215345_100011215473 [1,0,0,0,0,0|2,0,1]=4 599 B15R0.70 C=CCCCCCCOCCCCCCBr 7a_100011215345_100011215473 [1,0,0,0,0,0|2,0,1]=4 600 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [1,0,0,0,0,0|1,0,1]=3 601 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [1,0,0,0,0,0|1,0,1]=3 602 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [1,0,0,0,0,0|1,0,1]=3 603 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [1,0,0,0,0,0|1,0,1]=3 604 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [1,0,0,0,0,0|1,0,1]=3 605 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [1,0,0,0,0,0|1,0,1]=3 606 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100011215473_100015922095 [1,0,0,0,0,0|2,0,1]=4 607 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100015922095_100011215473 [1,0,0,0,0,0|2,0,1]=4 608 B15R0.70 C=CCCCCCOCCCCCCCBr 34a_100000760002_100000700193 [1,0,0,0,0,0|2,0,1]=4 609 B15R0.70 C=CCCCCCOCCCCCCCBr 7a_100000760002_100000700193 [1,0,0,0,0,0|2,0,1]=4 610 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [1,0,0,0,0,0|1,0,1]=3 611 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [1,0,0,0,0,0|1,0,1]=3 612 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [1,0,0,0,0,0|1,0,1]=3 613 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [1,0,0,0,0,0|1,0,1]=3 614 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [1,0,0,0,0,0|1,0,1]=3 615 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [1,0,0,0,0,0|1,0,1]=3 616 B15R0.70 C=CCCCCOCCCCCCCCBr 34a_100009813846_100011215482 [1,0,0,0,0,0|2,0,1]=4 617 B15R0.70 C=CCCCCOCCCCCCCCBr 7a_100009813846_100011215482 [1,0,0,0,0,0|2,0,1]=4 618 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [1,0,0,0,0,0|1,0,1]=3 619 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [1,0,0,0,0,0|1,0,1]=3 620 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [1,0,0,0,0,0|1,0,1]=3 621 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [1,0,0,0,0,0|1,0,1]=3 622 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [1,0,0,0,0,0|1,0,1]=3 623 B15R0.70 C=CCCCOCCCCCCCCCBr 34a_100009813782_100000757094 [1,0,0,0,0,0|2,0,1]=4 624 B15R0.70 C=CCCCOCCCCCCCCCBr 7a_100009813782_100000757094 [1,0,0,0,0,0|2,0,1]=4 625 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [1,0,0,0,0,0|1,0,1]=3 626 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [1,0,0,0,0,0|1,0,1]=3 627 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [1,0,0,0,0,0|1,0,1]=3 628 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [1,0,0,0,0,0|1,0,1]=3 629 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [1,0,0,0,0,0|1,0,1]=3 630 B15R0.70 C=CCCOCCCCCCCCCCBr 34a_100009813290_100000754431 [1,0,0,0,0,0|2,0,1]=4 631 B15R0.70 C=CCCOCCCCCCCCCCBr 7a_100009813290_100000754431 [1,0,0,0,0,0|2,0,1]=4 632 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [1,0,0,0,0,0|1,0,1]=3 633 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [1,0,0,0,0,0|1,0,1]=3 634 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [1,0,0,0,0,0|1,0,1]=3 635 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [1,0,0,0,0,0|1,0,1]=3 636 B15R0.70 C=CCOCCCCCCCCCCCBr 34a_100009812471_100015514636 [1,0,0,0,0,0|2,0,1]=4 637 B15R0.70 C=CCOCCCCCCCCCCCBr 7a_100009812471_100015514636 [1,0,0,0,0,0|2,0,1]=4 638 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [1,0,0,0,0,0|1,0,1]=3 639 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [1,0,0,0,0,0|1,0,1]=3 640 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [1,0,0,0,0,0|1,0,1]=3 641 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [1,0,0,0,0,0|1,0,1]=3 642 B15R0.70 C=COCCSCCCCCCCCCC 62a_100000039644_100000210320 [1,0,0,0,0,0|2,0,1]=4 643 B15R0.70 CC=CCCCOCCCCCCCCC 34a_100020645299_100011214924 [1,0,0,0,0,0|2,0,1]=4 644 B15R0.70 CC=CCOCCCCCCCCCCC 34a_100000210809_100000070051 [1,0,0,0,0,0|2,0,1]=4 645 B15R0.70 CC=CCOCCCCCCCCCCC 7a_100000210809_100000070051 [1,0,0,0,0,0|2,0,1]=4 646 B15R0.70 CC=CCSCCCCCCCCCCC 62a_100000070051_100011215454 [1,0,0,0,0,0|2,0,1]=4 647 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [1,0,0,0,0,0|1,0,1]=3 648 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [1,0,0,0,0,0|1,0,1]=3 649 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [1,0,0,0,0,0|1,0,1]=3 650 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [1,0,0,0,0,0|1,0,1]=3 651 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [1,0,0,0,0,0|1,0,1]=3 652 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [1,0,0,0,0,0|1,0,1]=3 653 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [1,0,0,0,0,0|1,0,1]=3 654 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [1,0,0,0,0,0|1,0,1]=3 655 B15R0.70 CCCCCCCCCCCCCOCF 34a_100000185773_100015361967 [1,0,0,0,0,0|2,0,0]=3 656 B15R0.70 CCCCCCCCCCCCCOCF 7a_100000185773_100015361967 [1,0,0,0,0,0|2,0,0]=3 657 B15R0.70 CCCCCCCCCCCCCSCF 62a_100015361967_100011934334 [1,0,0,0,0,0|2,0,0]=3 658 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [1,0,0,0,0,0|2,0,0]=3 659 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [1,0,0,0,0,0|1,0,1]=3 660 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [1,0,0,0,0,0|1,0,1]=3 661 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [1,0,0,0,0,0|1,0,1]=3 662 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [1,0,0,0,0,0|2,0,1]=4 663 B15R0.70 CCCCCCCCCCCCSCC#N 62a_100011215382_100000759014 [1,0,0,0,0,0|2,0,1]=4 664 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [1,0,0,0,0,0|2,0,0]=3 665 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [1,0,0,0,0,0|2,0,1]=4 666 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [1,0,0,0,0,0|2,0,1]=4 667 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [1,0,0,0,0,0|2,0,0]=3 668 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [1,0,0,0,0,0|1,0,1]=3 669 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [1,0,0,0,0,0|1,0,1]=3 670 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [1,0,0,0,0,0|1,0,1]=3 671 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [1,0,0,0,0,0|1,0,1]=3 672 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [1,0,0,0,0,0|2,0,0]=3 673 B15R0.70 CCCCCCCCCCCSCCC#N 62a_100011215226_100011215454 [1,0,0,0,0,0|2,0,1]=4 674 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [1,0,0,0,0,0|2,0,0]=3 675 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [1,0,0,0,0,0|2,0,1]=4 676 B15R0.70 CCCCCCCCCCCSCOCC 62a_100000739092_100011215454 [1,0,0,0,0,0|2,0,1]=4 677 B15R0.70 CCCCCCCCCCOCCCCBr 34a_100011216708_100000210320 [1,0,0,0,0,0|2,0,0]=3 678 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [1,0,0,0,0,0|1,0,1]=3 679 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [1,0,0,0,0,0|1,0,1]=3 680 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [1,0,0,0,0,0|1,0,1]=3 681 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [1,0,0,0,0,0|1,0,1]=3 682 B15R0.70 CCCCCCCCCCOCCCCCl 34a_100000210776_100000210320 [1,0,0,0,0,0|2,0,0]=3 683 B15R0.70 CCCCCCCCCCOCCCCCl 7a_100000210776_100000210320 [1,0,0,0,0,0|2,0,0]=3 684 B15R0.70 CCCCCCCCCCOCCCCI 34a_200012148704_100000210320 [1,0,0,0,0,0|2,0,0]=3 685 B15R0.70 CCCCCCCCCCSCCCC#N 62a_100000687738_100000210320 [1,0,0,0,0,0|2,0,1]=4 686 B15R0.70 CCCCCCCCCCSCCCCF 62a_100000729493_100000210320 [1,0,0,0,0,0|2,0,0]=3 687 B15R0.70 CCCCCCCCCCSCCSCC 62a_100000757381_100000210320 [1,0,0,0,0,0|2,0,1]=4 688 B15R0.70 CCCCCCCCCOCCCCCBr 34a_100000746331_100011214924 [1,0,0,0,0,0|2,0,0]=3 689 B15R0.70 CCCCCCCCCOCCCCCBr 7a_100000746331_100000210328 [1,0,0,0,0,0|2,0,0]=3 690 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [1,0,0,0,0,0|1,0,1]=3 691 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [1,0,0,0,0,0|1,0,1]=3 692 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [1,0,0,0,0,0|1,0,1]=3 693 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [1,0,0,0,0,0|1,0,1]=3 694 B15R0.70 CCCCCCCCCOCCCCCCl 34a_100000746330_100011214924 [1,0,0,0,0,0|2,0,0]=3 695 B15R0.70 CCCCCCCCCOCCCCCCl 7a_100000746330_100000210328 [1,0,0,0,0,0|2,0,0]=3 696 B15R0.70 CCCCCCCCCOCCCCCI 34a_200012148887_100011214924 [1,0,0,0,0,0|2,0,0]=3 697 B15R0.70 CCCCCCCCCOCCCCCI 7a_200012148887_100000210328 [1,0,0,0,0,0|2,0,0]=3 698 B15R0.70 CCCCCCCCCSCCCCC#N 62a_100011219923_100000210670 [1,0,0,0,0,0|2,0,1]=4 699 B15R0.70 CCCCCCCCCSCCCCCF 62a_100000729378_100000210670 [1,0,0,0,0,0|2,0,0]=3 700 B15R0.70 CCCCCCCCCSCOCCCC 62a_100011995733_100000210670 [1,0,0,0,0,0|2,0,1]=4 701 B15R0.70 CCCCCCCCOCCCCCCBr 34a_100011215345_100000210759 [1,0,0,0,0,0|2,0,0]=3 702 B15R0.70 CCCCCCCCOCCCCCCBr 7a_100011215345_100000210759 [1,0,0,0,0,0|2,0,0]=3 703 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [1,0,0,0,0,0|1,0,1]=3 704 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [1,0,0,0,0,0|1,0,1]=3 705 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [1,0,0,0,0,0|1,0,1]=3 706 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [1,0,0,0,0,0|1,0,1]=3 707 B15R0.70 CCCCCCCCOCCCCCCCl 34a_100000766143_100000210759 [1,0,0,0,0,0|2,0,0]=3 708 B15R0.70 CCCCCCCCOCCCCCCCl 7a_100000766143_100000210759 [1,0,0,0,0,0|2,0,0]=3 709 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100000210759_100009813376 [1,0,0,0,0,0|2,0,1]=4 710 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100009813376_100000210317 [1,0,0,0,0,0|2,0,1]=4 711 B15R0.70 CCCCCCCCSCCCCCCF 62a_100000210759_100015922095 [1,0,0,0,0,0|2,0,0]=3 712 B15R0.70 CCCCCCCCSCCCCCCF 62a_100015922095_100000210317 [1,0,0,0,0,0|2,0,0]=3 713 B15R0.70 CCCCCCCOCCCCCCCBr 34a_100000760002_100000210614 [1,0,0,0,0,0|2,0,0]=3 714 B15R0.70 CCCCCCCOCCCCCCCBr 7a_100000760002_100000210614 [1,0,0,0,0,0|2,0,0]=3 715 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100000210614_100009813337 [1,0,0,0,0,0|2,0,1]=4 716 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100009813337_100000210316 [1,0,0,0,0,0|2,0,1]=4 717 B15R0.70 CCCCCCOCCCCCCCCBr 34a_100009813846_100000210314 [1,0,0,0,0,0|2,0,0]=3 718 B15R0.70 CCCCCCOCCCCCCCCBr 7a_100009813846_100000210314 [1,0,0,0,0,0|2,0,0]=3 719 B15R0.70 CCCCCCOCCCCCCCCCl 34a_100000033203_100000210314 [1,0,0,0,0,0|2,0,0]=3 720 B15R0.70 CCCCCCOCCCCCCCCCl 7a_100000033203_100000210314 [1,0,0,0,0,0|2,0,0]=3 721 B15R0.70 CCCCCOCCCCCCCCCBr 34a_100009813782_100000718602 [1,0,0,0,0,0|2,0,0]=3 722 B15R0.70 CCCCCOCCCCCCCCCBr 7a_100009813782_100000210326 [1,0,0,0,0,0|2,0,0]=3 723 B15R0.70 CCCCCOCCCCCCCCCCl 34a_100009868337_100000718602 [1,0,0,0,0,0|2,0,0]=3 724 B15R0.70 CCCCCOCCCCCCCCCCl 7a_100009868337_100000210326 [1,0,0,0,0,0|2,0,0]=3 725 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [1,0,0,0,0,0|2,0,0]=3 726 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [1,0,0,0,0,0|2,0,0]=3 727 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [1,0,0,0,0,0|2,0,0]=3 728 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [1,0,0,0,0,0|2,0,0]=3 729 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [1,0,0,0,0,0|2,0,0]=3 730 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [1,0,0,0,0,0|2,0,0]=3 731 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [1,0,0,0,0,0|2,0,0]=3 732 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [1,0,0,0,0,0|2,0,0]=3 733 B15R0.70 COCCCCCCCCCCCCCBr 34a_100009812470_200000210301 [1,0,0,0,0,0|2,0,0]=3 734 B15R0.70 COCCCCCCCCCCCCCBr 7a_100009812470_200000210301 [1,0,0,0,0,0|2,0,0]=3 735 B15R0.70 CSCOCCCCCCCCCCCBr 34a_100009812471_100011218213 [1,0,0,0,0,0|3,0,0]=4 736 B15R0.70 FCOCCCCCCCCCCCCBr 34a_100009813331_100015361967 [1,0,0,0,0,0|3,0,0]=4 737 B15R0.70 FCOCCCCCCCCCCCCBr 7a_100009813331_100015361967 [1,0,0,0,0,0|3,0,0]=4 738 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 34a_100009812470_200025704644 [1,0,0,0,0,0|2,0,0]=3 739 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 7a_100009812470_200025704644 [1,0,0,0,0,0|2,0,0]=3 740 B17R0.43 C#CCCCCCCCCCCOCCC(C)C 34a_100000054667_100000210312 [0,1,0,0,0,0|2,0,1]=4 741 B17R0.43 C#CCCCCCCCCCCOCCC(C)C 7a_100000054667_100000210626 [0,1,0,0,0,0|2,0,1]=4 742 B17R0.43 C#CCCCCCCCCCOCCCC(C)C 34a_100000034437_100011214892 [0,1,0,0,0,0|2,0,1]=4 743 B17R0.43 C#CCCCCCCCCCOCCCC(C)C 7a_100000034437_100011214892 [0,1,0,0,0,0|2,0,1]=4 744 B17R0.43 C#CCCCCCCCCOCCCCC(C)C 34a_100000065265_100011216152 [0,1,0,0,0,0|2,0,1]=4 745 B17R0.43 C#CCCCCCCCCOCCCCC(C)C 7a_100000065265_100011216152 [0,1,0,0,0,0|2,0,1]=4 746 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 34a_100000054614_100000210682 [0,1,0,0,0,0|2,0,1]=4 747 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 34a_100011995859_100153394163 [0,1,0,0,0,0|2,0,1]=4 748 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 7a_100000054614_100000210682 [0,1,0,0,0,0|2,0,1]=4 749 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 7a_100011995859_100153394163 [0,1,0,0,0,0|2,0,1]=4 750 B17R0.43 C#CCCCCCCCSCCCCCC(C)C 62a_100000210682_100153394163 [0,1,0,0,0,0|2,0,1]=4 751 B17R0.43 C#CCCCCCCCSCCCCCC(C)C 62a_100153394163_100000210682 [0,1,0,0,0,0|2,0,1]=4 752 B17R0.43 C#CCCCCCOCCCCCCCC(C)C 34a_200000210741_100012094781 [0,1,0,0,0,0|2,0,1]=4 753 B17R0.43 C#CCCCCCOCCCCCCCC(C)C 7a_200000210741_100012094781 [0,1,0,0,0,0|2,0,1]=4 754 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [0,1,0,0,0,0|2,0,0]=3 755 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [0,1,0,0,0,0|2,0,0]=3 756 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000730704 [0,1,0,0,0,0|3,0,0]=4 757 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000730704 [0,1,0,0,0,0|3,0,0]=4 758 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [0,1,0,0,0,0|2,0,0]=3 759 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [0,1,0,0,0,0|2,0,0]=3 760 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [0,1,0,0,0,0|2,0,0]=3 761 B17R0.43 C=C(C)CCSCCCCCCCCCCCO 62a_100009812471_100000730704 [0,1,0,0,0,0|3,0,0]=4 762 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [0,1,0,0,0,0|2,0,0]=3 763 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [0,1,0,0,0,0|2,0,0]=3 764 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 34a_100009813331_100000748629 [0,1,0,0,0,0|3,0,0]=4 765 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 7a_100009813331_100000748629 [0,1,0,0,0,0|3,0,0]=4 766 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [0,1,0,0,0,0|2,0,0]=3 767 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [0,1,0,0,0,0|2,0,0]=3 768 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [0,1,0,0,0,0|2,0,0]=3 769 B17R0.43 C=C(C)COCCSCCCCCCCCCC 34a_100011628728_100000748629 [0,1,0,0,0,0|3,0,0]=4 770 B17R0.43 C=C(C)COCCSCCCCCCCCCC 7a_100011628728_100000748629 [0,1,0,0,0,0|3,0,0]=4 771 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [0,1,0,0,0,0|3,0,0]=4 772 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [0,1,0,0,0,0|2,0,0]=3 773 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [0,1,0,0,0,0|2,0,0]=3 774 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 34a_100009813331_100009893438 [0,1,0,0,0,0|3,0,0]=4 775 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 7a_100009813331_100000042424 [0,1,0,0,0,0|3,0,0]=4 776 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [0,1,0,0,0,0|2,0,0]=3 777 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [0,1,0,0,0,0|2,0,0]=3 778 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [0,1,0,0,0,0|2,0,0]=3 779 B17R0.43 C=C(F)COCCSCCCCCCCCCC 34a_100011628728_100009893438 [0,1,0,0,0,0|3,0,0]=4 780 B17R0.43 C=C(F)COCCSCCCCCCCCCC 7a_100011628728_100000042424 [0,1,0,0,0,0|3,0,0]=4 781 B17R0.43 C=C(F)CSCCCCCCCCCCCCO 62a_100009813331_100000042424 [0,1,0,0,0,0|3,0,0]=4 782 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [0,1,0,0,0,0|0,0,2]=3 783 B17R0.43 C=CCCCCCCCCCCCCCN(C)C 2230a_100102631434_102495333938 [0,1,0,0,0,0|2,0,0]=3 784 B17R0.43 C=CCCCCCCCCCCCCCN(C)C 269982a_100102631434_102495333938 [0,1,0,0,0,0|2,0,0]=3 785 B17R0.43 C=CCCCCCCCCCCCNCC(C)C 2230a_100000210953_102130925996 [0,1,0,0,0,0|2,0,0]=3 786 B17R0.43 C=CCCCCCCCCCCCNCC(C)C 34a_100000210953_102130925996 [0,1,0,0,0,0|2,0,0]=3 787 B17R0.43 C=CCCCCCCCCCCCOCC(=C)C 34a_100000210245_102130925996 [0,1,0,0,0,0|2,0,1]=4 788 B17R0.43 C=CCCCCCCCCCCCOCC(C)Br 34a_100012180447_102130925996 [0,1,0,0,0,0|2,0,0]=3 789 B17R0.43 C=CCCCCCCCCCCCOCC(C)C 34a_100000210257_102130925996 [0,1,0,0,0,0|2,0,0]=3 790 B17R0.43 C=CCCCCCCCCCCCOCC(C)F 34a_100015925927_102130925996 [0,1,0,0,0,0|2,0,0]=3 791 B17R0.43 C=CCCCCCCCCCCCOCC(F)F 34a_100000743014_102130925996 [0,1,0,0,0,0|3,0,0]=4 792 B17R0.43 C=CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_102130925996 [0,1,0,0,0,0|2,0,0]=3 793 B17R0.43 C=CCCCCCCCCCCCSCC(C)O 62a_100011218427_102130925996 [0,1,0,0,0,0|2,0,0]=3 794 B17R0.43 C=CCCCCCCCCCCCSCC(C)O 62a_102130925996_100011218427 [0,1,0,0,0,0|2,0,0]=3 795 B17R0.43 C=CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_102130925996 [0,1,0,0,0,0|2,0,0]=3 796 B17R0.43 C=CCCCCCCCCCCCSC[C@@H](C)O 62a_102130925996_100009817552 [0,1,0,0,0,0|2,0,0]=3 797 B17R0.43 C=CCCCCCCCCCCOCCC(=C)C 34a_100000764851_100011093070 [0,1,0,0,0,0|2,0,1]=4 798 B17R0.43 C=CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011093070 [0,1,0,0,0,0|2,0,0]=3 799 B17R0.43 C=CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011093070 [0,1,0,0,0,0|2,0,0]=3 800 B17R0.43 C=CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011093070 [0,1,0,0,0,0|2,0,0]=3 801 B17R0.43 C=CCCCCCCCCCCOCCC(F)F 34a_100103093639_100011093070 [0,1,0,0,0,0|3,0,0]=4 802 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011093070 [0,1,0,0,0,0|1,0,2]=4 803 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100011093070_100000053229 [0,1,0,0,0,0|1,0,2]=4 804 B17R0.43 C=CCCCCCCCCCCSCCC(C)O 62a_100011093070_100012276601 [0,1,0,0,0,0|2,0,0]=3 805 B17R0.43 C=CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011093070 [0,1,0,0,0,0|2,0,0]=3 806 B17R0.43 C=CCCCCCCCCCCSCOC(C)C 62a_100000709892_100011093070 [0,1,0,0,0,0|3,0,0]=4 807 B17R0.43 C=CCCCCCCCCCCSCOC(C)C 62a_100011093070_100000709892 [0,1,0,0,0,0|3,0,0]=4 808 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 2230a_100000081888_100011214892 [0,1,0,0,0,0|2,0,0]=3 809 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100009814027 [0,1,0,0,0,0|2,0,0]=3 810 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 34a_100000081888_100011214892 [0,1,0,0,0,0|2,0,0]=3 811 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 34a_200000737386_100009814027 [0,1,0,0,0,0|2,0,0]=3 812 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 2230a_100000081888_100000730970 [0,1,0,0,0,0|3,0,0]=4 813 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 2230a_100000731138_100009814027 [0,1,0,0,0,0|3,0,0]=4 814 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 34a_100000081888_100000730970 [0,1,0,0,0,0|3,0,0]=4 815 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 34a_100000731138_100009814027 [0,1,0,0,0,0|3,0,0]=4 816 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 34a_100000038209_100011214892 [0,1,0,0,0,0|2,0,0]=3 817 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 34a_100000210774_100009814027 [0,1,0,0,0,0|2,0,0]=3 818 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 7a_100000038209_100011214892 [0,1,0,0,0,0|2,0,0]=3 819 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 7a_100000210774_100009814027 [0,1,0,0,0,0|2,0,0]=3 820 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 34a_100000038209_100000730970 [0,1,0,0,0,0|3,0,0]=4 821 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 34a_200011212901_100009814027 [0,1,0,0,0,0|3,0,0]=4 822 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 7a_100000038209_100000730970 [0,1,0,0,0,0|3,0,0]=4 823 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 7a_200011212901_100009814027 [0,1,0,0,0,0|3,0,0]=4 824 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100009814027_100011215641 [0,1,0,0,0,0|1,0,2]=4 825 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100009814027 [0,1,0,0,0,0|1,0,2]=4 826 B17R0.43 C=CCCCCCCCCCSCCCC(C)O 62a_100009814027_200000718107 [0,1,0,0,0,0|2,0,0]=3 827 B17R0.43 C=CCCCCCCCCCSCCCC(C)O 62a_200000718107_100009814027 [0,1,0,0,0,0|2,0,0]=3 828 B17R0.43 C=CCCCCCCCCCSCCOC(C)C 62a_100000211751_100009814027 [0,1,0,0,0,0|3,0,0]=4 829 B17R0.43 C=CCCCCCCCCCSCCOC(C)C 62a_100009814027_100000211751 [0,1,0,0,0,0|3,0,0]=4 830 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011933949 [0,1,0,0,0,0|2,0,0]=3 831 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 34a_100011215194_100011216152 [0,1,0,0,0,0|2,0,0]=3 832 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 7a_100011214890_100011933949 [0,1,0,0,0,0|2,0,0]=3 833 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 7a_100011215194_100011216152 [0,1,0,0,0,0|2,0,0]=3 834 B17R0.43 C=CCCCCCCCCOCCSCC(C)C 34a_200000230437_100011933949 [0,1,0,0,0,0|3,0,0]=4 835 B17R0.43 C=CCCCCCCCCOCCSCC(C)C 7a_200000230437_100011933949 [0,1,0,0,0,0|3,0,0]=4 836 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100011933949 [0,1,0,0,0,0|1,0,2]=4 837 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100011933949_100000735457 [0,1,0,0,0,0|1,0,2]=4 838 B17R0.43 C=CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100012355270 [0,1,0,0,0,0|2,0,0]=3 839 B17R0.43 C=CCCCCCCCNCCCCCC(C)C 34a_100011290863_100012355270 [0,1,0,0,0,0|2,0,0]=3 840 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 34a_100000730831_100000210682 [0,1,0,0,0,0|2,0,0]=3 841 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 34a_100011995859_100012355270 [0,1,0,0,0,0|2,0,0]=3 842 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 7a_100000730831_100000210682 [0,1,0,0,0,0|2,0,0]=3 843 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 7a_100011995859_100012355270 [0,1,0,0,0,0|2,0,0]=3 844 B17R0.43 C=CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100011215473 [0,1,0,0,0,0|2,0,0]=3 845 B17R0.43 C=CCCCCCCNCCCCCCC(C)C 34a_100000211014_100011215473 [0,1,0,0,0,0|2,0,0]=3 846 B17R0.43 C=CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000700193 [0,1,0,0,0,0|2,0,0]=3 847 B17R0.43 C=CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000700193 [0,1,0,0,0,0|2,0,0]=3 848 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100010140907_100015361967 [0,1,0,0,0,0|3,0,0]=4 849 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100015361967_100010140907 [0,1,0,0,0,0|3,0,0]=4 850 B17R0.43 CC(C)CCCCCCCOCCCCCC#N 7a_200000210741_100009813376 [0,1,0,0,0,0|2,0,1]=4 851 B17R0.43 CC(C)CCCCCCCOCCCCCCF 34a_200000210741_100015922095 [0,1,0,0,0,0|2,0,1]=4 852 B17R0.43 CC(C)CCCCCCCOCCCCCCF 7a_200000210741_100015922095 [0,1,0,0,0,0|2,0,1]=4 853 B17R0.43 CC(C)CCCCCOCCCCCCCCBr 34a_100009813846_100000210682 [0,1,0,0,0,0|2,0,1]=4 854 B17R0.43 CC(C)CCCCCOCCCCCCCCBr 7a_100009813846_100000210682 [0,1,0,0,0,0|2,0,1]=4 855 B17R0.43 CC(C)CCCCCOCCCCCCCCCl 34a_100000033203_100000210682 [0,1,0,0,0,0|2,0,1]=4 856 B17R0.43 CC(C)CCCCCOCCCCCCCCCl 7a_100000033203_100000210682 [0,1,0,0,0,0|2,0,1]=4 857 B17R0.43 CC(C)CCCCCSCCCCCCCCO 62a_100000033203_100000210682 [0,1,0,0,0,0|1,0,2]=4 858 B17R0.43 CC(C)CCCCCSCCCCCCCCO 62a_100000210682_100000033203 [0,1,0,0,0,0|1,0,2]=4 859 B17R0.43 CC(C)CCCCOCCCCCCCCCBr 34a_100009813782_100011216152 [0,1,0,0,0,0|2,0,1]=4 860 B17R0.43 CC(C)CCCCOCCCCCCCCCBr 7a_100009813782_100011216152 [0,1,0,0,0,0|2,0,1]=4 861 B17R0.43 CC(C)CCCCOCCCCCCCCCCl 34a_100009868337_100011216152 [0,1,0,0,0,0|2,0,1]=4 862 B17R0.43 CC(C)CCCCOCCCCCCCCCCl 7a_100009868337_100011216152 [0,1,0,0,0,0|2,0,1]=4 863 B17R0.43 CC(C)CCCCSCCCCCCCCCO 62a_100009813782_100011216152 [0,1,0,0,0,0|1,0,2]=4 864 B17R0.43 CC(C)CCCCSCCCCCCCCCO 62a_100011216152_100009813782 [0,1,0,0,0,0|1,0,2]=4 865 B17R0.43 CC(C)CCCOCCCCCCCCCCBr 34a_100009813290_100011214892 [0,1,0,0,0,0|2,0,1]=4 866 B17R0.43 CC(C)CCCOCCCCCCCCCCBr 7a_100009813290_100011214892 [0,1,0,0,0,0|2,0,1]=4 867 B17R0.43 CC(C)CCCOCCCCCCCCCCCl 34a_200000033068_100011214892 [0,1,0,0,0,0|2,0,1]=4 868 B17R0.43 CC(C)CCCOCCCCCCCCCCCl 7a_200000033068_100011214892 [0,1,0,0,0,0|2,0,1]=4 869 B17R0.43 CC(C)CCCSCCCCCCCCCCO 62a_100009813290_100011214892 [0,1,0,0,0,0|1,0,2]=4 870 B17R0.43 CC(C)CCCSCCCCCCCCCCO 62a_100011214892_200000033068 [0,1,0,0,0,0|1,0,2]=4 871 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000210312 [0,1,0,0,0,0|2,0,1]=4 872 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000210626 [0,1,0,0,0,0|2,0,1]=4 873 B17R0.43 CC(C)CCSCCCCCCCCCCCO 62a_100009812471_100000210312 [0,1,0,0,0,0|1,0,2]=4 874 B17R0.43 CC(C)COCCCCCCCCCCCCBr 34a_100009813331_100000210624 [0,1,0,0,0,0|2,0,1]=4 875 B17R0.43 CC(C)COCCCCCCCCCCCCBr 7a_100009813331_100000210760 [0,1,0,0,0,0|2,0,1]=4 876 B17R0.43 CC(C)CSCCCCCCCCCCCCO 62a_100009813331_100000210760 [0,1,0,0,0,0|1,0,2]=4 877 B17R0.43 CC(C)SCCCCCCCCCCCCCO 62a_100009812470_100000210206 [0,1,0,0,0,0|1,0,2]=4 878 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [0,1,0,0,0,0|0,0,2]=3 879 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [0,1,0,0,0,0|0,0,2]=3 880 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [0,1,0,0,0,0|2,0,0]=3 881 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [0,1,0,0,0,0|2,0,0]=3 882 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [0,1,0,0,0,0|2,0,0]=3 883 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100011217771_100000210206 [0,1,0,0,0,0|2,0,1]=4 884 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215471 [0,1,0,0,0,0|2,0,1]=4 885 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100011217771_100000210206 [0,1,0,0,0,0|2,0,1]=4 886 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100138425928_100011215471 [0,1,0,0,0,0|2,0,1]=4 887 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100000210953_100000210684 [0,1,0,0,0,0|2,0,1]=4 888 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100011215765_100000210760 [0,1,0,0,0,0|2,0,1]=4 889 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100000210953_200011215488 [0,1,0,0,0,0|2,0,1]=4 890 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100011215765_100000210432 [0,1,0,0,0,0|2,0,1]=4 891 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100000210953_100000210684 [0,1,0,0,0,0|2,0,1]=4 892 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100011215765_100000210624 [0,1,0,0,0,0|2,0,1]=4 893 B17R0.43 CCCCCCCCCCCCCNCC(F)F 2230a_100011215765_100011934356 [0,1,0,0,0,0|2,0,1]=4 894 B17R0.43 CCCCCCCCCCCCCNCC(F)F 270004a_100000765723_200011215488 [0,1,0,0,0,0|2,0,1]=4 895 B17R0.43 CCCCCCCCCCCCCNCC(F)F 34a_100000765723_100000210684 [0,1,0,0,0,0|2,0,1]=4 896 B17R0.43 CCCCCCCCCCCCCNCC(F)F 34a_100011215765_100011934356 [0,1,0,0,0,0|2,0,1]=4 897 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000185773_100000210624 [0,1,0,0,0,0|2,0,1]=4 898 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000210257_100000210684 [0,1,0,0,0,0|2,0,1]=4 899 B17R0.43 CCCCCCCCCCCCCOCC(C)C 7a_100000185773_100000210760 [0,1,0,0,0,0|2,0,1]=4 900 B17R0.43 CCCCCCCCCCCCCOCC(C)F 34a_100015925927_100000210684 [0,1,0,0,0,0|2,0,1]=4 901 B17R0.43 CCCCCCCCCCCCCOCC(F)F 34a_100000185773_100011934356 [0,1,0,0,0,0|2,0,1]=4 902 B17R0.43 CCCCCCCCCCCCCOCC(F)F 34a_100000743014_100000210684 [0,1,0,0,0,0|2,0,1]=4 903 B17R0.43 CCCCCCCCCCCCCOCC(F)F 7a_100000185773_100011934356 [0,1,0,0,0,0|2,0,1]=4 904 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210684 [0,1,0,0,0,0|2,0,1]=4 905 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [0,1,0,0,0,0|1,0,2]=4 906 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [0,1,0,0,0,0|1,0,2]=4 907 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 2230a_100000210451_100000761012 [0,1,0,0,0,0|2,0,1]=4 908 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_100011218549 [0,1,0,0,0,0|2,0,1]=4 909 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000210451_100000761012 [0,1,0,0,0,0|2,0,1]=4 910 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000759014 [0,1,0,0,0,0|2,0,1]=4 911 B17R0.43 CCCCCCCCCCCCNCCC(C)C 2230a_100000210451_100000210312 [0,1,0,0,0,0|2,0,1]=4 912 B17R0.43 CCCCCCCCCCCCNCCC(C)C 269862a_100000210451_100000185833 [0,1,0,0,0,0|2,0,1]=4 913 B17R0.43 CCCCCCCCCCCCNCCC(C)C 270004a_100000210545_100011218549 [0,1,0,0,0,0|2,0,1]=4 914 B17R0.43 CCCCCCCCCCCCNCCC(C)C 34a_100000210451_100000210312 [0,1,0,0,0,0|2,0,1]=4 915 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [0,1,0,0,0,0|2,0,1]=4 916 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [0,1,0,0,0,0|2,0,1]=4 917 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [0,1,0,0,0,0|2,0,1]=4 918 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [0,1,0,0,0,0|2,0,1]=4 919 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [0,1,0,0,0,0|2,0,1]=4 920 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [0,1,0,0,0,0|2,0,1]=4 921 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [0,1,0,0,0,0|2,0,1]=4 922 B17R0.43 CCCCCCCCCCCCOCCC(F)F 34a_100103093639_100000759014 [0,1,0,0,0,0|2,0,1]=4 923 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [0,1,0,0,0,0|1,0,0]=2 924 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [0,1,0,0,0,0|1,0,0]=2 925 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [0,1,0,0,0,0|1,0,0]=2 926 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [0,1,0,0,0,0|1,0,2]=4 927 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [0,1,0,0,0,0|2,0,0]=3 928 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 2230a_200011215754_100011217483 [0,1,0,0,0,0|2,0,1]=4 929 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 34a_200011215754_100011217483 [0,1,0,0,0,0|2,0,1]=4 930 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 2230a_200011215754_200009816681 [0,1,0,0,0,0|2,0,1]=4 931 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 34a_200011215754_200009816681 [0,1,0,0,0,0|2,0,1]=4 932 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200000737386_100011215454 [0,1,0,0,0,0|2,0,1]=4 933 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200011215754_100011214892 [0,1,0,0,0,0|2,0,1]=4 934 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200000737386_100011215454 [0,1,0,0,0,0|2,0,1]=4 935 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200011215754_100011214892 [0,1,0,0,0,0|2,0,1]=4 936 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 34a_100000210809_100011217483 [0,1,0,0,0,0|2,0,1]=4 937 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 7a_100000210809_100011217483 [0,1,0,0,0,0|2,0,1]=4 938 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 34a_100000210809_200009816681 [0,1,0,0,0,0|2,0,1]=4 939 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 7a_100000210809_200009816681 [0,1,0,0,0,0|2,0,1]=4 940 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210774_100011215454 [0,1,0,0,0,0|2,0,1]=4 941 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210809_100011214892 [0,1,0,0,0,0|2,0,1]=4 942 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210774_100011215454 [0,1,0,0,0,0|2,0,1]=4 943 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210809_100011214892 [0,1,0,0,0,0|2,0,1]=4 944 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [0,1,0,0,0,0|1,0,0]=2 945 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [0,1,0,0,0,0|1,0,2]=4 946 B17R0.43 CCCCCCCCCCNCCCCC(C)C 2230a_100000684558_100011216152 [0,1,0,0,0,0|2,0,1]=4 947 B17R0.43 CCCCCCCCCCNCCCCC(C)C 34a_100000684558_100011216152 [0,1,0,0,0,0|2,0,1]=4 948 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100000210711_100011216152 [0,1,0,0,0,0|2,0,1]=4 949 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100011214890_100000210320 [0,1,0,0,0,0|2,0,1]=4 950 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100000210711_100011216152 [0,1,0,0,0,0|2,0,1]=4 951 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210320 [0,1,0,0,0,0|2,0,1]=4 952 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [0,1,0,0,0,0|1,0,0]=2 953 B17R0.43 CCCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210320 [0,1,0,0,0,0|2,1,0]=4 954 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [0,1,0,0,0,0|2,0,0]=3 955 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100000212291_100000210682 [0,1,0,0,0,0|2,0,1]=4 956 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100011290863_100011214924 [0,1,0,0,0,0|2,0,1]=4 957 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100000212291_100000210682 [0,1,0,0,0,0|2,0,1]=4 958 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100011290863_100011214924 [0,1,0,0,0,0|2,0,1]=4 959 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100000210712_100000210682 [0,1,0,0,0,0|2,0,1]=4 960 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100011995859_100011214924 [0,1,0,0,0,0|2,0,1]=4 961 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100000210712_100000210682 [0,1,0,0,0,0|2,0,1]=4 962 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210328 [0,1,0,0,0,0|2,0,1]=4 963 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [0,1,0,0,0,0|2,0,0]=3 964 B17R0.43 CCCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210759 [0,1,0,0,0,0|2,0,1]=4 965 B17R0.43 CCCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210759 [0,1,0,0,0,0|2,0,1]=4 966 B17R0.43 CCCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210614 [0,1,0,0,0,0|2,0,1]=4 967 B17R0.43 CCCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210614 [0,1,0,0,0,0|2,0,1]=4 968 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [0,1,0,0,0,0|2,0,0]=3 969 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [0,1,0,0,0,0|2,0,0]=3 970 B17R0.104 C#CCCCCCCC(=O)CCCCCCCC 1458a_100000034748_100000210759 [0,1,0,0,0,0|1,0,2]=4 971 B17R0.104 C#CCCCCCCC(=O)CCCCCCCC 1458a_100000210188_100012276617 [0,1,0,0,0,0|1,0,2]=4 972 B17R0.104 C#CCCCCCOC(C)CCCCCCCC 34a_100000210740_100012094781 [0,1,0,0,0,0|2,0,1]=4 973 B17R0.104 C#CCCCCCOC(C)CCCCCCCC 7a_100000210740_100012094781 [0,1,0,0,0,0|2,0,1]=4 974 B17R0.104 C#CCCCCOCC(C)CCCCCCCC 34a_200012125181_100010269958 [0,1,0,0,0,0|2,0,1]=4 975 B17R0.104 C#CCCCCOCC(C)CCCCCCCC 7a_200012125181_100010269958 [0,1,0,0,0,0|2,0,1]=4 976 B17R0.104 C=CCCCCCCC(=O)CCCCCCCC 1458a_100000210188_100011215473 [0,1,0,0,0,0|1,0,1]=3 977 B17R0.104 C=CCCCCCCC(=O)CCCCCCCC 1458a_100011809334_100000210759 [0,1,0,0,0,0|1,0,1]=3 978 B17R0.104 C=CCCCCCCN(C)CCCCCCCC 2230a_100000207567_100011215473 [0,1,0,0,0,0|2,0,0]=3 979 B17R0.104 C=CCCCCCCN(C)CCCCCCCC 269982a_100000207567_100011215473 [0,1,0,0,0,0|2,0,0]=3 980 B17R0.104 C=CCCCCCOC(C)CCCCCCCC 34a_100000210740_100000700193 [0,1,0,0,0,0|2,0,0]=3 981 B17R0.104 C=CCCCCCOC(C)CCCCCCCC 7a_100000210740_100000700193 [0,1,0,0,0,0|2,0,0]=3 982 B17R0.104 C=CCCCCNCC(C)CCCCCCCC 270004a_100000703577_100011995885 [0,1,0,0,0,0|2,0,0]=3 983 B17R0.104 C=CCCCCOCC(C)CCCCCCCC 34a_200012125181_100011215482 [0,1,0,0,0,0|2,0,0]=3 984 B17R0.104 C=CCCCCOCC(C)CCCCCCCC 7a_200012125181_100011215482 [0,1,0,0,0,0|2,0,0]=3 985 B17R0.104 CCCCCCCCC(=O)CCCCCCC#N 1458a_100000210188_100009813337 [0,1,0,0,0,0|1,0,2]=4 986 B17R0.104 CCCCCCCCC(C)CNCCCCCC 270004a_100000210581_100011995885 [0,1,0,0,0,0|2,0,1]=4 987 B17R0.104 CCCCCCCCC(C)COCCCCC#N 7a_200012125181_100000211819 [0,1,0,0,0,0|2,0,1]=4 988 B17R0.104 CCCCCCCCC(C)COCCCCCC 34a_200012125181_100000210314 [0,1,0,0,0,0|2,0,1]=4 989 B17R0.104 CCCCCCCCC(C)COCCCCCC 7a_200012125181_100000210314 [0,1,0,0,0,0|2,0,1]=4 990 B17R0.104 CCCCCCCCC(C)COCCCCCF 34a_200012125181_100000729378 [0,1,0,0,0,0|2,0,1]=4 991 B17R0.104 CCCCCCCCC(C)COCCCCCF 7a_200012125181_100000729378 [0,1,0,0,0,0|2,0,1]=4 992 B17R0.104 CCCCCCCCC(C)NCCCCCCC 270004a_100000229938_100011216694 [0,1,0,0,0,0|2,0,1]=4 993 B17R0.104 CCCCCCCCC(C)OCCCCCC#N 7a_100000210740_100009813376 [0,1,0,0,0,0|2,0,1]=4 994 B17R0.104 CCCCCCCCC(C)OCCCCCCF 34a_100000210740_100015922095 [0,1,0,0,0,0|2,0,1]=4 995 B17R0.104 CCCCCCCCC(C)OCCCCCCF 7a_100000210740_100015922095 [0,1,0,0,0,0|2,0,1]=4 996 B17R0.104 CCCCCCCCN(C)CCCCCCCC 2230a_100000207567_100000210759 [0,1,0,0,0,0|2,0,1]=4 997 B17R0.104 CCCCCCCCN(C)CCCCCCCC 2230a_100000609906_200000210301 [0,1,0,0,0,0|2,0,1]=4 998 B17R0.104 CCCCCCCCN(C)CCCCCCCC 269982a_100000207567_100000210759 [0,1,0,0,0,0|2,0,1]=4 999 B17R0.104 CCCCCCCCN(C)CCCCCCCC 269982a_100000609906_200000210301 [0,1,0,0,0,0|2,0,1]=4 1000 B17R0.104 CCCCCCCCN([13CH3])CCCCCCCC 2230a_100000609906_200025704644 [0,1,0,0,0,0|2,0,1]=4 1001 B17R0.104 CCCCCCCCN([13CH3])CCCCCCCC 269982a_100000609906_200025704644 [0,1,0,0,0,0|2,0,1]=4 1002 B17R0.117 C#CCCCCCCCCCCOCCCC=C 34a_100000054667_100000757094 [0,1,0,0,0,0|1,0,2]=4 1003 B17R0.117 C#CCCCCCCCCCCOCCCC=C 7a_100000054667_100000757094 [0,1,0,0,0,0|1,0,2]=4 1004 B17R0.117 C#CCCCCCCCCCCOCCCCC 34a_100000054667_100000718602 [0,1,0,0,0,0|1,0,1]=3 1005 B17R0.117 C#CCCCCCCCCCCOCCCCC 7a_100000054667_100000210326 [0,1,0,0,0,0|1,0,1]=3 1006 B17R0.117 C#CCCCCCCCCCOCCCCC=C 34a_100000034437_100011215482 [0,1,0,0,0,0|1,0,2]=4 1007 B17R0.117 C#CCCCCCCCCCOCCCCC=C 7a_100000034437_100011215482 [0,1,0,0,0,0|1,0,2]=4 1008 B17R0.117 C#CCCCCCCCCCOCCCCCC 34a_100000034437_100000210314 [0,1,0,0,0,0|1,0,1]=3 1009 B17R0.117 C#CCCCCCCCCCOCCCCCC 7a_100000034437_100000210314 [0,1,0,0,0,0|1,0,1]=3 1010 B17R0.117 C#CCCCCCCCCOCCCCCC=C 34a_100000065265_100000700193 [0,1,0,0,0,0|1,0,2]=4 1011 B17R0.117 C#CCCCCCCCCOCCCCCC=C 7a_100000065265_100000700193 [0,1,0,0,0,0|1,0,2]=4 1012 B17R0.117 C#CCCCCCCCCOCCCCCCC 34a_100000065265_100000210614 [0,1,0,0,0,0|1,0,1]=3 1013 B17R0.117 C#CCCCCCCCCOCCCCCCC 7a_100000065265_100000210614 [0,1,0,0,0,0|1,0,1]=3 1014 B17R0.117 C#CCCCCCCCOCCCCCCC=C 34a_100000054614_100011215473 [0,1,0,0,0,0|1,0,2]=4 1015 B17R0.117 C#CCCCCCCCOCCCCCCC=C 34a_200011216477_100153394163 [0,1,0,0,0,0|1,0,2]=4 1016 B17R0.117 C#CCCCCCCCOCCCCCCC=C 7a_100000054614_100011215473 [0,1,0,0,0,0|1,0,2]=4 1017 B17R0.117 C#CCCCCCCCOCCCCCCC=C 7a_200011216477_100153394163 [0,1,0,0,0,0|1,0,2]=4 1018 B17R0.117 C#CCCCCCCCOCCCCCCCBr 34a_100000760002_100153394163 [0,1,0,0,0,0|2,0,1]=4 1019 B17R0.117 C#CCCCCCCCOCCCCCCCBr 7a_100000760002_100153394163 [0,1,0,0,0,0|2,0,1]=4 1020 B17R0.117 C#CCCCCCCCOCCCCCCCC 34a_100000054614_100000210759 [0,1,0,0,0,0|1,0,1]=3 1021 B17R0.117 C#CCCCCCCCOCCCCCCCC 34a_100000210232_100153394163 [0,1,0,0,0,0|1,0,1]=3 1022 B17R0.117 C#CCCCCCCCOCCCCCCCC 7a_100000054614_100000210759 [0,1,0,0,0,0|1,0,1]=3 1023 B17R0.117 C#CCCCCCCCOCCCCCCCC 7a_100000210232_100153394163 [0,1,0,0,0,0|1,0,1]=3 1024 B17R0.117 C#CCCCCCCCSCCCCCCC=C 62a_100011215473_100153394163 [0,1,0,0,0,0|1,0,2]=4 1025 B17R0.117 C#CCCCCCCCSCCCCCCC=C 62a_100153394163_100011215473 [0,1,0,0,0,0|1,0,2]=4 1026 B17R0.117 C#CCCCCCCOCCCCCCCC=C 34a_100000730831_100012276617 [0,1,0,0,0,0|1,0,2]=4 1027 B17R0.117 C#CCCCCCCOCCCCCCCC=C 34a_100011217361_100012355270 [0,1,0,0,0,0|1,0,2]=4 1028 B17R0.117 C#CCCCCCCOCCCCCCCC=C 7a_100000730831_100012276617 [0,1,0,0,0,0|1,0,2]=4 1029 B17R0.117 C#CCCCCCCOCCCCCCCC=C 7a_100011217361_100012355270 [0,1,0,0,0,0|1,0,2]=4 1030 B17R0.117 C#CCCCCCCOCCCCCCCCBr 34a_100009813846_100012276617 [0,1,0,0,0,0|2,0,1]=4 1031 B17R0.117 C#CCCCCCCOCCCCCCCCBr 7a_100009813846_100012276617 [0,1,0,0,0,0|2,0,1]=4 1032 B17R0.117 C#CCCCCCCOCCCCCCCCC 34a_100000210712_100012276617 [0,1,0,0,0,0|1,0,1]=3 1033 B17R0.117 C#CCCCCCCOCCCCCCCCC 34a_100011217361_100011214924 [0,1,0,0,0,0|1,0,1]=3 1034 B17R0.117 C#CCCCCCCOCCCCCCCCC 7a_100000210712_100012276617 [0,1,0,0,0,0|1,0,1]=3 1035 B17R0.117 C#CCCCCCCOCCCCCCCCC 7a_100011217361_100000210328 [0,1,0,0,0,0|1,0,1]=3 1036 B17R0.117 C#CCCCCCCOCCCCCCCCCl 34a_100000033203_100012276617 [0,1,0,0,0,0|2,0,1]=4 1037 B17R0.117 C#CCCCCCCOCCCCCCCCCl 7a_100000033203_100012276617 [0,1,0,0,0,0|2,0,1]=4 1038 B17R0.117 C#CCCCCCCSCCCCCCCC=C 62a_100012276617_100012355270 [0,1,0,0,0,0|1,0,2]=4 1039 B17R0.117 C#CCCCCCCSCCCCCCCC=C 62a_100012355270_100012276617 [0,1,0,0,0,0|1,0,2]=4 1040 B17R0.117 C#CCCCCCOCCCCCCCCC=C 34a_100000766912_100011933949 [0,1,0,0,0,0|1,0,2]=4 1041 B17R0.117 C#CCCCCCOCCCCCCCCC=C 34a_100011215194_100012094781 [0,1,0,0,0,0|1,0,2]=4 1042 B17R0.117 C#CCCCCCOCCCCCCCCC=C 7a_100000766912_100011933949 [0,1,0,0,0,0|1,0,2]=4 1043 B17R0.117 C#CCCCCCOCCCCCCCCC=C 7a_100011215194_100012094781 [0,1,0,0,0,0|1,0,2]=4 1044 B17R0.117 C#CCCCCCOCCCCCCCCCBr 34a_100009813782_100012094781 [0,1,0,0,0,0|2,0,1]=4 1045 B17R0.117 C#CCCCCCOCCCCCCCCCBr 7a_100009813782_100012094781 [0,1,0,0,0,0|2,0,1]=4 1046 B17R0.117 C#CCCCCCOCCCCCCCCCC 34a_100000210711_100012094781 [0,1,0,0,0,0|1,0,1]=3 1047 B17R0.117 C#CCCCCCOCCCCCCCCCC 34a_100000766912_100000210320 [0,1,0,0,0,0|1,0,1]=3 1048 B17R0.117 C#CCCCCCOCCCCCCCCCC 7a_100000210711_100012094781 [0,1,0,0,0,0|1,0,1]=3 1049 B17R0.117 C#CCCCCCOCCCCCCCCCC 7a_100000766912_100000210320 [0,1,0,0,0,0|1,0,1]=3 1050 B17R0.117 C#CCCCCCOCCCCCCCCCCl 34a_100009868337_100012094781 [0,1,0,0,0,0|2,0,1]=4 1051 B17R0.117 C#CCCCCCOCCCCCCCCCCl 7a_100009868337_100012094781 [0,1,0,0,0,0|2,0,1]=4 1052 B17R0.117 C#CCCCCCSCCCCCCCCC=C 62a_100011933949_100012094781 [0,1,0,0,0,0|1,0,2]=4 1053 B17R0.117 C#CCCCCCSCCCCCCCCC=C 62a_100012094781_100011933949 [0,1,0,0,0,0|1,0,2]=4 1054 B17R0.117 C#CCCCCOCCCCCCCCCC=C 34a_100000038209_100010269958 [0,1,0,0,0,0|1,0,2]=4 1055 B17R0.117 C#CCCCCOCCCCCCCCCC=C 34a_100000766709_100009814027 [0,1,0,0,0,0|1,0,2]=4 1056 B17R0.117 C#CCCCCOCCCCCCCCCC=C 7a_100000038209_100010269958 [0,1,0,0,0,0|1,0,2]=4 1057 B17R0.117 C#CCCCCOCCCCCCCCCC=C 7a_100000766709_100009814027 [0,1,0,0,0,0|1,0,2]=4 1058 B17R0.117 C#CCCCCOCCCCCCCCCCBr 34a_100009813290_100010269958 [0,1,0,0,0,0|2,0,1]=4 1059 B17R0.117 C#CCCCCOCCCCCCCCCCBr 7a_100009813290_100010269958 [0,1,0,0,0,0|2,0,1]=4 1060 B17R0.117 C#CCCCCOCCCCCCCCCCC 34a_100000210809_100010269958 [0,1,0,0,0,0|1,0,1]=3 1061 B17R0.117 C#CCCCCOCCCCCCCCCCC 34a_100000766709_100011215454 [0,1,0,0,0,0|1,0,1]=3 1062 B17R0.117 C#CCCCCOCCCCCCCCCCC 7a_100000210809_100010269958 [0,1,0,0,0,0|1,0,1]=3 1063 B17R0.117 C#CCCCCOCCCCCCCCCCC 7a_100000766709_100011215454 [0,1,0,0,0,0|1,0,1]=3 1064 B17R0.117 C#CCCCCOCCCCCCCCCCCl 34a_200000033068_100010269958 [0,1,0,0,0,0|2,0,1]=4 1065 B17R0.117 C#CCCCCOCCCCCCCCCCCl 7a_200000033068_100010269958 [0,1,0,0,0,0|2,0,1]=4 1066 B17R0.117 C#CCCCCSCCCCCCCCCC=C 62a_100009814027_100010269958 [0,1,0,0,0,0|1,0,2]=4 1067 B17R0.117 C#CCCCCSCCCCCCCCCC=C 62a_100010269958_100009814027 [0,1,0,0,0,0|1,0,2]=4 1068 B17R0.117 C#CCCCOCCCCCCCCCCC=C 34a_100000215630_100011093070 [0,1,0,0,0,0|1,0,2]=4 1069 B17R0.117 C#CCCCOCCCCCCCCCCC=C 7a_100000215630_100011093070 [0,1,0,0,0,0|1,0,2]=4 1070 B17R0.117 C#CCCCOCCCCCCCCCCCBr 34a_100009812471_100000695029 [0,1,0,0,0,0|2,0,1]=4 1071 B17R0.117 C#CCCCOCCCCCCCCCCCBr 7a_100009812471_100011215417 [0,1,0,0,0,0|2,0,1]=4 1072 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000210810_100000695029 [0,1,0,0,0,0|1,0,1]=3 1073 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000215630_100000759014 [0,1,0,0,0,0|1,0,1]=3 1074 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000210810_100011215417 [0,1,0,0,0,0|1,0,1]=3 1075 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000215630_100000759014 [0,1,0,0,0,0|1,0,1]=3 1076 B17R0.117 C#CCCCSCCCCCCCCCCC=C 62a_100011093070_100011215417 [0,1,0,0,0,0|1,0,2]=4 1077 B17R0.117 C#CCCCSCCCCCCCCCCC=C 62a_100011215417_100011093070 [0,1,0,0,0,0|1,0,2]=4 1078 B17R0.117 C#CCCOCCCCCCCCCCCC=C 34a_100011215631_102130925996 [0,1,0,0,0,0|1,0,2]=4 1079 B17R0.117 C#CCCOCCCCCCCCCCCCBr 34a_100009813331_100000688953 [0,1,0,0,0,0|2,0,1]=4 1080 B17R0.117 C#CCCOCCCCCCCCCCCCBr 7a_100009813331_100000688953 [0,1,0,0,0,0|2,0,1]=4 1081 B17R0.117 C#CCCOCCCCCCCCCCCCC 34a_100000185773_100000688953 [0,1,0,0,0,0|1,0,1]=3 1082 B17R0.117 C#CCCOCCCCCCCCCCCCC 34a_100011215631_100000210684 [0,1,0,0,0,0|1,0,1]=3 1083 B17R0.117 C#CCCOCCCCCCCCCCCCC 7a_100000185773_100000688953 [0,1,0,0,0,0|1,0,1]=3 1084 B17R0.117 C#CCCSCCCCCCCCCCCC=C 62a_100000688953_102130925996 [0,1,0,0,0,0|1,0,2]=4 1085 B17R0.117 C#CCCSCCCCCCCCCCCC=C 62a_102130925996_100000688953 [0,1,0,0,0,0|1,0,2]=4 1086 B17R0.117 C#CCOCCCCCCCCCCCCCBr 34a_100009812470_100000184674 [0,1,0,0,0,0|2,0,1]=4 1087 B17R0.117 C#CCOCCCCCCCCCCCCCBr 7a_100009812470_100000038162 [0,1,0,0,0,0|2,0,1]=4 1088 B17R0.117 C#CCOCCCCCCCCCCCCCC 34a_100000210247_100011215471 [0,1,0,0,0,0|1,0,1]=3 1089 B17R0.117 C#CCOCCCCCCCCCCCCCC 34a_100000210739_100000184674 [0,1,0,0,0,0|1,0,1]=3 1090 B17R0.117 C#CCOCCCCCCCCCCCCCC 7a_100000210739_100000038162 [0,1,0,0,0,0|1,0,1]=3 1091 B17R0.117 C/C=C/CCOCCCCCCCCCCCC 34a_100016278192_100000759014 [0,1,0,0,0,0|1,0,1]=3 1092 B17R0.117 C/C=C/CNCCCCCCCCCCCCC 34a_100011215765_100102629194 [0,1,0,0,0,0|1,0,1]=3 1093 B17R0.117 C/C=C/COCCCCCCCCCCCCBr 34a_100009813331_100102629194 [0,1,0,0,0,0|2,0,1]=4 1094 B17R0.117 C/C=C/COCCCCCCCCCCCCBr 7a_100009813331_100102629194 [0,1,0,0,0,0|2,0,1]=4 1095 B17R0.117 C/C=C/COCCCCCCCCCCCCC 34a_100000185773_100102629194 [0,1,0,0,0,0|1,0,1]=3 1096 B17R0.117 C/C=C/COCCCCCCCCCCCCC 34a_100016270725_100000210684 [0,1,0,0,0,0|1,0,1]=3 1097 B17R0.117 C/C=C/COCCCCCCCCCCCCC 7a_100000185773_100102629194 [0,1,0,0,0,0|1,0,1]=3 1098 B17R0.117 C/C=C/COCCSCCCCCCCCCC 34a_100011628728_100102629194 [0,1,0,0,0,0|2,0,1]=4 1099 B17R0.117 C/C=C/COCCSCCCCCCCCCC 7a_100011628728_100102629194 [0,1,0,0,0,0|2,0,1]=4 1100 B17R0.117 C/C=C/CSCCCCCCCCCCCCO 62a_100009813331_100102629194 [0,1,0,0,0,0|2,0,1]=4 1101 B17R0.117 C=CCCC/C=C/COCCCCCCCCC 34a_200016268473_100011214924 [0,1,0,0,0,0|1,0,2]=4 1102 B17R0.117 C=CCCC/C=C/COCCCCCCCCC 7a_200016268473_100000210328 [0,1,0,0,0,0|1,0,2]=4 1103 B17R0.117 C=CCCCCCCCCC=NNCCCCC 4a_100000694160_100000039675 [0,1,0,0,0,0|2,0,1]=4 1104 B17R0.117 C=CCCCCCCCCCCCOC/C=C/C 34a_100016270725_102130925996 [0,1,0,0,0,0|1,0,2]=4 1105 B17R0.117 C=CCCCCCCCCCCCOCC#CC 34a_100000761923_102130925996 [0,1,0,0,0,0|1,0,2]=4 1106 B17R0.117 C=CCCCCCCCCCCCSCC#CC 62a_100000748600_102130925996 [0,1,0,0,0,0|1,0,2]=4 1107 B17R0.117 C=CCCCCCCCCCCCSCC#CC 62a_102130925996_100000748600 [0,1,0,0,0,0|1,0,2]=4 1108 B17R0.117 C=CCCCCCCCCCCCSCCC#N 62a_100011215226_102130925996 [0,1,0,0,0,0|2,0,1]=4 1109 B17R0.117 C=CCCCCCCCCCCCSCCC#N 62a_102130925996_100011215226 [0,1,0,0,0,0|2,0,1]=4 1110 B17R0.117 C=CCCCCCCCCCCOC/C=C\CC 34a_100016268518_100011093070 [0,1,0,0,0,0|1,0,2]=4 1111 B17R0.117 C=CCCCCCCCCCCOCC#CCC 34a_100000032950_100011093070 [0,1,0,0,0,0|1,0,2]=4 1112 B17R0.117 C=CCCCCCCCCCCOCC/C=C/C 34a_100016278192_100011093070 [0,1,0,0,0,0|1,0,2]=4 1113 B17R0.117 C=CCCCCCCCCCCOCCC#CC 34a_100000750427_100011093070 [0,1,0,0,0,0|1,0,2]=4 1114 B17R0.117 C=CCCCCCCCCCCSCC#CCC 62a_100009813939_100011093070 [0,1,0,0,0,0|1,0,2]=4 1115 B17R0.117 C=CCCCCCCCCCCSCC#CCC 62a_100011093070_100009813939 [0,1,0,0,0,0|1,0,2]=4 1116 B17R0.117 C=CCCCCCCCCCCSCCCC#N 62a_100000687738_100011093070 [0,1,0,0,0,0|2,0,1]=4 1117 B17R0.117 C=CCCCCCCCCCCSCCCC#N 62a_100011093070_100000687738 [0,1,0,0,0,0|2,0,1]=4 1118 B17R0.117 C=CCCCCCCCCCNCC/C=C\CC 2230a_100000081888_100015370543 [0,1,0,0,0,0|1,0,2]=4 1119 B17R0.117 C=CCCCCCCCCCNCC/C=C\CC 34a_100000081888_100015370543 [0,1,0,0,0,0|1,0,2]=4 1120 B17R0.117 C=CCCCCCCCCCOC/C=C/CCC 34a_100016278788_100009814027 [0,1,0,0,0,0|1,0,2]=4 1121 B17R0.117 C=CCCCCCCCCCOC/C=C/CCC 7a_100016278788_100009814027 [0,1,0,0,0,0|1,0,2]=4 1122 B17R0.117 C=CCCCCCCCCCOCC#CCCC 34a_100000034806_100009814027 [0,1,0,0,0,0|1,0,2]=4 1123 B17R0.117 C=CCCCCCCCCCOCC#CCCC 7a_100000034806_100009814027 [0,1,0,0,0,0|1,0,2]=4 1124 B17R0.117 C=CCCCCCCCCCOCC/C=C\CC 34a_100000038209_100015370543 [0,1,0,0,0,0|1,0,2]=4 1125 B17R0.117 C=CCCCCCCCCCOCC/C=C\CC 34a_100016288707_100009814027 [0,1,0,0,0,0|1,0,2]=4 1126 B17R0.117 C=CCCCCCCCCCOCC/C=C\CC 7a_100000038209_100015370543 [0,1,0,0,0,0|1,0,2]=4 1127 B17R0.117 C=CCCCCCCCCCOCC/C=C\CC 7a_100016288707_100009814027 [0,1,0,0,0,0|1,0,2]=4 1128 B17R0.117 C=CCCCCCCCCCOCCC#CCC 34a_100000036655_100009814027 [0,1,0,0,0,0|1,0,2]=4 1129 B17R0.117 C=CCCCCCCCCCOCCC#CCC 7a_100000036655_100009814027 [0,1,0,0,0,0|1,0,2]=4 1130 B17R0.117 C=CCCCCCCCCCOCCCC=CC 34a_100020645299_100009814027 [0,1,0,0,0,0|1,0,2]=4 1131 B17R0.117 C=CCCCCCCCCCOCCCCC#N 7a_100000038209_100000211819 [0,1,0,0,0,0|2,0,1]=4 1132 B17R0.117 C=CCCCCCCCCCSCCCCC#N 62a_100009814027_100000211819 [0,1,0,0,0,0|2,0,1]=4 1133 B17R0.117 C=CCCCCCCCCCSCCCCC#N 62a_100011219923_100009814027 [0,1,0,0,0,0|2,0,1]=4 1134 B17R0.117 C=CCCCCCCCCOC/C=C/CCCC 34a_200016272032_100011933949 [0,1,0,0,0,0|1,0,2]=4 1135 B17R0.117 C=CCCCCCCCCOC/C=C/CCCC 7a_200016272032_100011933949 [0,1,0,0,0,0|1,0,2]=4 1136 B17R0.117 C=CCCCCCCCCOCC#CCCCC 34a_200000034558_100011933949 [0,1,0,0,0,0|1,0,2]=4 1137 B17R0.117 C=CCCCCCCCCOCC#CCCCC 7a_200000034558_100011933949 [0,1,0,0,0,0|1,0,2]=4 1138 B17R0.117 C=CCCCCCCCCOCCC#CCCC 34a_100000042726_100011933949 [0,1,0,0,0,0|1,0,2]=4 1139 B17R0.117 C=CCCCCCCCCOCCC#CCCC 7a_100000042726_100011933949 [0,1,0,0,0,0|1,0,2]=4 1140 B17R0.117 C=CCCCCCCCCOCCC/C=C/CC 34a_100016287902_100011933949 [0,1,0,0,0,0|1,0,2]=4 1141 B17R0.117 C=CCCCCCCCCOCCC/C=C/CC 7a_100016287902_100011933949 [0,1,0,0,0,0|1,0,2]=4 1142 B17R0.117 C=CCCCCCCCCOCCCCCC#N 7a_100011215194_100009813376 [0,1,0,0,0,0|2,0,1]=4 1143 B17R0.117 C=CCCCCCCCCSCCCCCC#N 62a_100009813376_100011933949 [0,1,0,0,0,0|2,0,1]=4 1144 B17R0.117 C=CCCCCCCCCSCCCCCC#N 62a_100011933949_100009813376 [0,1,0,0,0,0|2,0,1]=4 1145 B17R0.117 C=CCCCCCCCOC/C=C/CCCCC 34a_100016258190_100012355270 [0,1,0,0,0,0|1,0,2]=4 1146 B17R0.117 C=CCCCCCCCOC/C=C/CCCCC 7a_100016258190_100012355270 [0,1,0,0,0,0|1,0,2]=4 1147 B17R0.117 C=CCCCCCCCOCC#CCCCCC 34a_100000730831_100009816472 [0,1,0,0,0,0|1,0,2]=4 1148 B17R0.117 C=CCCCCCCCOCC#CCCCCC 34a_200000033628_100012355270 [0,1,0,0,0,0|1,0,2]=4 1149 B17R0.117 C=CCCCCCCCOCC#CCCCCC 7a_100000730831_100009816472 [0,1,0,0,0,0|1,0,2]=4 1150 B17R0.117 C=CCCCCCCCOCC#CCCCCC 7a_200000033628_100012355270 [0,1,0,0,0,0|1,0,2]=4 1151 B17R0.117 C=CCCCCCCCOCC/C=C\CCCC 34a_200016286491_100012355270 [0,1,0,0,0,0|1,0,2]=4 1152 B17R0.117 C=CCCCCCCCOCC/C=C\CCCC 7a_200016286491_100012355270 [0,1,0,0,0,0|1,0,2]=4 1153 B17R0.117 C=CCCCCCCCOCCC#CCCCC 34a_100000037610_100012355270 [0,1,0,0,0,0|1,0,2]=4 1154 B17R0.117 C=CCCCCCCCOCCC#CCCCC 7a_100000037610_100012355270 [0,1,0,0,0,0|1,0,2]=4 1155 B17R0.117 C=CCCCCCCCOCCCC/C=C\CC 34a_100016287862_100012355270 [0,1,0,0,0,0|1,0,2]=4 1156 B17R0.117 C=CCCCCCCCOCCCC/C=C\CC 7a_100016287862_100012355270 [0,1,0,0,0,0|1,0,2]=4 1157 B17R0.117 C=CCCCCCCCOCCCCCCC#N 7a_100000730831_100009813337 [0,1,0,0,0,0|2,0,1]=4 1158 B17R0.117 C=CCCCCCCCSCC#CCCCCC 62a_100009816472_100012355270 [0,1,0,0,0,0|1,0,2]=4 1159 B17R0.117 C=CCCCCCCCSCC#CCCCCC 62a_100012355270_100009816472 [0,1,0,0,0,0|1,0,2]=4 1160 B17R0.117 C=CCCCCCCCSCCCCCCC#N 62a_100009813337_100012355270 [0,1,0,0,0,0|2,0,1]=4 1161 B17R0.117 C=CCCCCCCCSCCCCCCC#N 62a_100012355270_100009813337 [0,1,0,0,0,0|2,0,1]=4 1162 B17R0.117 C=CCCCCCCOC/C=C/CCCCCC 34a_200016276170_100011215473 [0,1,0,0,0,0|1,0,2]=4 1163 B17R0.117 C=CCCCCCCOC/C=C/CCCCCC 7a_200016276170_100011215473 [0,1,0,0,0,0|1,0,2]=4 1164 B17R0.117 C=CCCCCCCOCC#CCCCCCC 34a_200000037284_100011215473 [0,1,0,0,0,0|1,0,2]=4 1165 B17R0.117 C=CCCCCCCOCC#CCCCCCC 7a_200000037284_100011215473 [0,1,0,0,0,0|1,0,2]=4 1166 B17R0.117 C=CCCCCCCOCC/C=C\CCCCC 34a_100016277358_100011215473 [0,1,0,0,0,0|1,0,2]=4 1167 B17R0.117 C=CCCCCCCOCC/C=C\CCCCC 7a_100016277358_100011215473 [0,1,0,0,0,0|1,0,2]=4 1168 B17R0.117 C=CCCCCCCOCCC#CCCCCC 34a_200000042877_100011215473 [0,1,0,0,0,0|1,0,2]=4 1169 B17R0.117 C=CCCCCCCOCCC#CCCCCC 7a_200000042877_100011215473 [0,1,0,0,0,0|1,0,2]=4 1170 B17R0.117 C=CCCCCCCOCCCC#CCCCC 34a_200011216477_200000047210 [0,1,0,0,0,0|1,0,2]=4 1171 B17R0.117 C=CCCCCCCOCCCC#CCCCC 7a_200011216477_200000047210 [0,1,0,0,0,0|1,0,2]=4 1172 B17R0.117 C=CCCCCCCOCCCCC/C=C\CC 34a_100016268722_100011215473 [0,1,0,0,0,0|1,0,2]=4 1173 B17R0.117 C=CCCCCCCOCCCCC/C=C\CC 7a_100016268722_100011215473 [0,1,0,0,0,0|1,0,2]=4 1174 B17R0.117 C=CCCCCCCSCCCC#CCCCC 62a_100011215473_200000047210 [0,1,0,0,0,0|1,0,2]=4 1175 B17R0.117 C=CCCCCCCSCCCC#CCCCC 62a_200000047210_100011215473 [0,1,0,0,0,0|1,0,2]=4 1176 B17R0.117 C=CCCCCCOCC#CCCCCCCC 34a_200000061759_100000700193 [0,1,0,0,0,0|1,0,2]=4 1177 B17R0.117 C=CCCCCCOCC#CCCCCCCC 7a_200000061759_100000700193 [0,1,0,0,0,0|1,0,2]=4 1178 B17R0.117 C=CCCCCCOCCC#CCCCCCC 34a_200000033163_100000700193 [0,1,0,0,0,0|1,0,2]=4 1179 B17R0.117 C=CCCCCCOCCC#CCCCCCC 7a_200000033163_100000700193 [0,1,0,0,0,0|1,0,2]=4 1180 B17R0.117 C=CCCCCCOCCC/C=C\CCCCC 34a_100020655193_100000700193 [0,1,0,0,0,0|1,0,2]=4 1181 B17R0.117 C=CCCCCCOCCC/C=C\CCCCC 7a_100020655193_100000700193 [0,1,0,0,0,0|1,0,2]=4 1182 B17R0.117 C=CCCCCCOCCCC/C=C/CCCC 34a_200020645093_100000700193 [0,1,0,0,0,0|1,0,2]=4 1183 B17R0.117 C=CCCCCCOCCCC/C=C/CCCC 7a_200020645093_100000700193 [0,1,0,0,0,0|1,0,2]=4 1184 B17R0.117 C=CCCCCCOCCCCC#CCCCC 34a_200000066234_100000700193 [0,1,0,0,0,0|1,0,2]=4 1185 B17R0.117 C=CCCCCCOCCCCC#CCCCC 7a_200000066234_100000700193 [0,1,0,0,0,0|1,0,2]=4 1186 B17R0.117 C=CCCCCCOCCCCCCC#CCC 34a_100011216702_200000036426 [0,1,0,0,0,0|1,0,2]=4 1187 B17R0.117 C=CCCCCCOCCCCCCC#CCC 7a_100011216702_200000036426 [0,1,0,0,0,0|1,0,2]=4 1188 B17R0.117 C=CCCCCCSCCCCCCC#CCC 62a_100000700193_200000036426 [0,1,0,0,0,0|1,0,2]=4 1189 B17R0.117 C=CCCCCCSCCCCCCC#CCC 62a_200000036426_100000700193 [0,1,0,0,0,0|1,0,2]=4 1190 B17R0.117 C=CCCCCNCCCCCCC/C=C\CC 269862a_100000703577_200025770492 [0,1,0,0,0,0|1,0,2]=4 1191 B17R0.117 C=CCCCCOC/C=C/CCCCCCCC 34a_200020667288_100011215482 [0,1,0,0,0,0|1,0,2]=4 1192 B17R0.117 C=CCCCCOC/C=C/CCCCCCCC 7a_200020667288_100011215482 [0,1,0,0,0,0|1,0,2]=4 1193 B17R0.117 C=CCCCOC/C=C/CCCCCCCCC 34a_100015232335_100000757094 [0,1,0,0,0,0|1,0,2]=4 1194 B17R0.117 C=CCCCOC/C=C/CCCCCCCCC 7a_100015232335_100000757094 [0,1,0,0,0,0|1,0,2]=4 1195 B17R0.117 C=CCCCOCCCCCCC#CCCCC 34a_100000758997_200000043322 [0,1,0,0,0,0|1,0,2]=4 1196 B17R0.117 C=CCCCOCCCCCCC#CCCCC 7a_100000758997_200000043322 [0,1,0,0,0,0|1,0,2]=4 1197 B17R0.117 C=CCCCOCCCCCCCCC#CCC 34a_200000031908_100000757094 [0,1,0,0,0,0|1,0,2]=4 1198 B17R0.117 C=CCCCOCCCCCCCCC#CCC 7a_200000031908_100000757094 [0,1,0,0,0,0|1,0,2]=4 1199 B17R0.117 C=CCCCSCCCCCCC#CCCCC 62a_100011713584_200000043322 [0,1,0,0,0,0|1,0,2]=4 1200 B17R0.117 C=CCCCSCCCCCCC#CCCCC 62a_200000043322_100000757094 [0,1,0,0,0,0|1,0,2]=4 1201 B17R0.117 C=CCCOC/C=C/CCCCCCCCCC 34a_200025761149_100000754431 [0,1,0,0,0,0|1,0,2]=4 1202 B17R0.117 C=CCCOC/C=C/CCCCCCCCCC 7a_200025761149_100000754431 [0,1,0,0,0,0|1,0,2]=4 1203 B17R0.117 C=CCOCCCCCCCC/C=C\CCCC 34a_100020587526_100015514636 [0,1,0,0,0,0|1,0,2]=4 1204 B17R0.117 C=CCOCCCCCCCC/C=C\CCCC 7a_100020587526_100015514636 [0,1,0,0,0,0|1,0,2]=4 1205 B17R0.117 C=CCOCCCCCCCCCC/C=C/CC 34a_200025759790_100015514636 [0,1,0,0,0,0|1,0,2]=4 1206 B17R0.117 C=CCOCCCCCCCCCC/C=C/CC 7a_200025759790_100015514636 [0,1,0,0,0,0|1,0,2]=4 1207 B17R0.117 CC#CCCOCCCCCCCCCCCC 34a_100000750427_100000759014 [0,1,0,0,0,0|1,0,2]=4 1208 B17R0.117 CC#CCOCCCCCCCCCCCCC 34a_100000185773_100000748600 [0,1,0,0,0,0|1,0,2]=4 1209 B17R0.117 CC#CCOCCCCCCCCCCCCC 34a_100000761923_100000210684 [0,1,0,0,0,0|1,0,2]=4 1210 B17R0.117 CC#CCOCCCCCCCCCCCCC 7a_100000185773_100000748600 [0,1,0,0,0,0|1,0,2]=4 1211 B17R0.117 CC/C=C/CCCCCCCCCCOCCC 34a_200025759790_100000210303 [0,1,0,0,0,0|2,0,1]=4 1212 B17R0.117 CC/C=C/CCCCCCCCCCOCCC 7a_200025759790_100000210303 [0,1,0,0,0,0|2,0,1]=4 1213 B17R0.117 CC/C=C/CCCOCCCCCCCCCC 34a_100016287902_100000210320 [0,1,0,0,0,0|2,0,1]=4 1214 B17R0.117 CC/C=C/CCCOCCCCCCCCCC 7a_100016287902_100000210320 [0,1,0,0,0,0|2,0,1]=4 1215 B17R0.117 CC/C=C\CCCCCCCNCCCCCC 269862a_100000210581_200025770492 [0,1,0,0,0,0|2,0,1]=4 1216 B17R0.117 CC/C=C\CCCCCNCCCCCCCC 269862a_100000229939_100016288537 [0,1,0,0,0,0|2,0,1]=4 1217 B17R0.117 CC/C=C\CCCCCOCCCCCCCC 34a_100016268722_100000210759 [0,1,0,0,0,0|2,0,1]=4 1218 B17R0.117 CC/C=C\CCCCCOCCCCCCCC 7a_100016268722_100000210759 [0,1,0,0,0,0|2,0,1]=4 1219 B17R0.117 CC/C=C\CCCCOCCCCCCCCC 34a_100016287862_100011214924 [0,1,0,0,0,0|2,0,1]=4 1220 B17R0.117 CC/C=C\CCCCOCCCCCCCCC 7a_100016287862_100000210328 [0,1,0,0,0,0|2,0,1]=4 1221 B17R0.117 CC/C=C\CCNCCCCCCCCCCC 2230a_200011215754_100015370543 [0,1,0,0,0,0|2,0,1]=4 1222 B17R0.117 CC/C=C\CCNCCCCCCCCCCC 34a_200011215754_100015370543 [0,1,0,0,0,0|2,0,1]=4 1223 B17R0.117 CC/C=C\CCOCCCCCCCCCCC 34a_100000210809_100015370543 [0,1,0,0,0,0|2,0,1]=4 1224 B17R0.117 CC/C=C\CCOCCCCCCCCCCC 34a_100016288707_100011215454 [0,1,0,0,0,0|2,0,1]=4 1225 B17R0.117 CC/C=C\CCOCCCCCCCCCCC 7a_100000210809_100015370543 [0,1,0,0,0,0|2,0,1]=4 1226 B17R0.117 CC/C=C\CCOCCCCCCCCCCC 7a_100016288707_100011215454 [0,1,0,0,0,0|2,0,1]=4 1227 B17R0.117 CC/C=C\CNCCCCCCCCCCCC 2230a_100000210451_100103147603 [0,1,0,0,0,0|2,0,1]=4 1228 B17R0.117 CC/C=C\CNCCCCCCCCCCCC 34a_100000210451_100103147603 [0,1,0,0,0,0|2,0,1]=4 1229 B17R0.117 CC/C=C\COCCCCCCCCCCCC 34a_100000210810_100103147603 [0,1,0,0,0,0|2,0,1]=4 1230 B17R0.117 CC/C=C\COCCCCCCCCCCCC 34a_100016268518_100000759014 [0,1,0,0,0,0|2,0,1]=4 1231 B17R0.117 CC/C=C\COCCCCCCCCCCCC 7a_100000210810_100103147603 [0,1,0,0,0,0|2,0,1]=4 1232 B17R0.117 CC=C=CCCOCCCCCCCCCCC 34a_100011020354_100011215454 [0,1,0,0,0,0|1,0,2]=4 1233 B17R0.117 CC=CCCCOCCCCCCCCCCC 34a_100020645299_100011215454 [0,1,0,0,0,0|1,0,1]=3 1234 B17R0.117 CC=CCNCCCCCCCCCCCCC 2230a_100011215765_100000070051 [0,1,0,0,0,0|1,0,1]=3 1235 B17R0.117 CC=CCNCCCCCCCCCCCCC 34a_100011215765_100000070051 [0,1,0,0,0,0|1,0,1]=3 1236 B17R0.117 CC=CCOCCCCCCCCCCCCBr 34a_100009813331_100000070051 [0,1,0,0,0,0|2,0,1]=4 1237 B17R0.117 CC=CCOCCCCCCCCCCCCBr 7a_100009813331_100000070051 [0,1,0,0,0,0|2,0,1]=4 1238 B17R0.117 CC=CCOCCCCCCCCCCCCC 34a_100000185773_100000070051 [0,1,0,0,0,0|1,0,1]=3 1239 B17R0.117 CC=CCOCCCCCCCCCCCCC 7a_100000185773_100000070051 [0,1,0,0,0,0|1,0,1]=3 1240 B17R0.117 CC=CCOCCSCCCCCCCCCC 34a_100011628728_100000070051 [0,1,0,0,0,0|2,0,1]=4 1241 B17R0.117 CC=CCOCCSCCCCCCCCCC 7a_100011628728_100000070051 [0,1,0,0,0,0|2,0,1]=4 1242 B17R0.117 CC=CCSCCCCCCCCCCCCO 62a_100009813331_100000070051 [0,1,0,0,0,0|2,0,1]=4 1243 B17R0.117 CCCC/C=C/CCCCCCCCCCOC 34a_100020630369_200000210301 [0,1,0,0,0,0|2,0,1]=4 1244 B17R0.117 CCCC/C=C/CCCCCCCCCCOC 7a_100020630369_200000210301 [0,1,0,0,0,0|2,0,1]=4 1245 B17R0.117 CCCC/C=C/CCCCCCCCCCO[13CH3] 34a_100020630369_200025704644 [0,1,0,0,0,0|2,0,1]=4 1246 B17R0.117 CCCC/C=C/CCCCCCCCCCO[13CH3] 7a_100020630369_200025704644 [0,1,0,0,0,0|2,0,1]=4 1247 B17R0.117 CCCC/C=C\CCCCCCCCCCNC 269862a_106832991636_100016995166 [0,1,0,0,0,0|2,0,1]=4 1248 B17R0.117 CCCCCCCCCCCCCCOCC#N 7a_100000210739_100011215382 [0,1,0,0,0,0|1,0,1]=3 1249 B17R0.117 CCCCCCCCCCCCCOCCC#N 7a_100000185773_100000184422 [0,1,0,0,0,0|1,0,1]=3 1250 B17R0.117 CCCCCCCCCCCCCSCCC#N 62a_100011215226_100011934334 [0,1,0,0,0,0|1,0,1]=3 1251 B17R0.117 CCCCCCCCCCCCOCCCC#N 7a_100000210810_100000687738 [0,1,0,0,0,0|1,0,1]=3 1252 B17R0.117 CCCCCCCCCCCCSCCCC#N 62a_100000687738_100000759014 [0,1,0,0,0,0|1,0,1]=3 1253 B17R0.117 CCCCCCCCCCCCSCCSC#N 62a_100000034367_100000759014 [0,1,0,0,0,0|2,0,1]=4 1254 B17R0.117 CCCCCCCCCCCOCCCCC#N 7a_100000210809_100000211819 [0,1,0,0,0,0|1,0,1]=3 1255 B17R0.117 CCCCCCCCCCCSCCCCC#N 62a_100011219923_100011215454 [0,1,0,0,0,0|1,0,1]=3 1256 B17R0.117 CCCCCCCCCCOCCCCCC#N 7a_100000210711_100009813376 [0,1,0,0,0,0|1,0,1]=3 1257 B17R0.117 CCCCCCCCCCSCCCCCC#N 62a_100009813376_100000210320 [0,1,0,0,0,0|1,0,1]=3 1258 B17R0.117 CCCCCCCCCOCCCCCCC#N 7a_100000210712_100009813337 [0,1,0,0,0,0|1,0,1]=3 1259 B17R0.117 CCCCCCCCCSCCCCCCC#N 62a_100009813337_100000210670 [0,1,0,0,0,0|1,0,1]=3 1260 B17R0.117 N#CCCCCCCOCCCCCCCCBr 7a_100009813846_100009813337 [0,1,0,0,0,0|2,0,1]=4 1261 B17R0.117 N#CCCCCCCOCCCCCCCCCl 7a_100000033203_100009813337 [0,1,0,0,0,0|2,0,1]=4 1262 B17R0.117 N#CCCCCCOCCCCCCCCCBr 7a_100009813782_100009813376 [0,1,0,0,0,0|2,0,1]=4 1263 B17R0.117 N#CCCCCCOCCCCCCCCCCl 7a_100009868337_100009813376 [0,1,0,0,0,0|2,0,1]=4 1264 B17R0.117 N#CCCCCOCCCCCCCCCCBr 7a_100009813290_100000211819 [0,1,0,0,0,0|2,0,1]=4 1265 B17R0.117 N#CCCCCOCCCCCCCCCCCl 7a_200000033068_100000211819 [0,1,0,0,0,0|2,0,1]=4 1266 B17R0.117 N#CCCCOCCCCCCCCCCCBr 7a_100009812471_100000687738 [0,1,0,0,0,0|2,0,1]=4 1267 B17R0.117 N#CCCOCCCCCCCCCCCCBr 7a_100009813331_100000184422 [0,1,0,0,0,0|2,0,1]=4 1268 B17R0.117 N#CCOCCCCCCCCCCCCCBr 7a_100009812470_100011215382 [0,1,0,0,0,0|2,0,1]=4 1269 B17R0.195 C#CC(=O)CCCCCCCCCCCCCC 1458a_100000211873_100011215471 [0,1,0,0,0,0|1,0,2]=4 1270 B17R0.195 C#CC(C)OCCCCCCCCCCCCC 34a_100000185773_200000035995 [0,1,0,0,0,0|2,0,1]=4 1271 B17R0.195 C#CCCCCCCCCCCOCC(C)CC 34a_100000054667_100000748023 [0,1,0,0,0,0|2,0,1]=4 1272 B17R0.195 C#CCCCCCCCCCCOCC(C)CC 7a_100000054667_100000748023 [0,1,0,0,0,0|2,0,1]=4 1273 B17R0.195 C#CCCCCCCCCCCOC[C@@H](C)CC 34a_100000054667_100009816398 [0,1,0,0,0,0|2,0,1]=4 1274 B17R0.195 C#CCCCCCCCCCCOC[C@@H](C)CC 7a_100000054667_100009816398 [0,1,0,0,0,0|2,0,1]=4 1275 B17R0.195 C#CCCCCCCOCCCCCC(C)CC 7a_200000035636_100012276617 [0,1,0,0,0,0|2,0,1]=4 1276 B17R0.195 C#C[C@@H](C)OCCCCCCCCCCCCC 34a_100009815206_100000210684 [0,1,0,0,0,0|2,0,1]=4 1277 B17R0.195 C#C[C@@H](C)OCCCCCCCCCCCCC 7a_100009815206_100000210684 [0,1,0,0,0,0|2,0,1]=4 1278 B17R0.195 C=CC(=O)CCCCCCCCCCCCCC 1458a_100000185746_100011215471 [0,1,0,0,0,0|1,0,1]=3 1279 B17R0.195 C=CC(C)COCCCCCCCCCCCC 34a_100011215527_100000759014 [0,1,0,0,0,0|2,0,0]=3 1280 B17R0.195 C=CC(C)COCCCCCCCCCCCC 7a_100011215527_100000759014 [0,1,0,0,0,0|2,0,0]=3 1281 B17R0.195 C=CC(C)OCCCCCCCCCCCCC 34a_100000695699_100000210684 [0,1,0,0,0,0|2,0,0]=3 1282 B17R0.195 C=CC(O)CSCCCCCCCCCCCC 62a_100000730141_100000759014 [0,1,0,0,0,0|2,0,0]=3 1283 B17R0.195 C=CCCCCCCCCCCCNC(C)CC 2230a_100000209981_102130925996 [0,1,0,0,0,0|2,0,0]=3 1284 B17R0.195 C=CCCCCCCCCCCCOC(C)CC 7a_100000210228_102130925996 [0,1,0,0,0,0|2,0,0]=3 1285 B17R0.195 C=CCCCCCCCCCCCOC(C)CF 34a_100016041109_102130925996 [0,1,0,0,0,0|3,0,0]=4 1286 B17R0.195 C=CCCCCCCCCCCCOC(C)CF 7a_100016041109_102130925996 [0,1,0,0,0,0|3,0,0]=4 1287 B17R0.195 C=CCCCCCCCCCCCSC(C)CO 62a_100012180447_102130925996 [0,1,0,0,0,0|3,0,0]=4 1288 B17R0.195 C=CCCCCCCCCCCCSC(C)OC 62a_100009879195_102130925996 [0,1,0,0,0,0|3,0,0]=4 1289 B17R0.195 C=CCCCCCCCCCCCSC(C)OC 62a_102130925996_100009879195 [0,1,0,0,0,0|3,0,0]=4 1290 B17R0.195 C=CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_102130925996 [0,1,0,0,0,0|3,0,0]=4 1291 B17R0.195 C=CCCCCCCCCCCCS[C@H](C)CO 62a_102130925996_100016084084 [0,1,0,0,0,0|3,0,0]=4 1292 B17R0.195 C=CCCCCCCCCCCNCC(C)CC 2230a_100020588543_100011093070 [0,1,0,0,0,0|2,0,0]=3 1293 B17R0.195 C=CCCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011093070 [0,1,0,0,0,0|3,0,0]=4 1294 B17R0.195 C=CCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100011093070 [0,1,0,0,0,0|2,0,0]=3 1295 B17R0.195 C=CCCCCCCCCCCSCC(=O)CC 62a_100000747405_100011093070 [0,1,0,0,0,0|2,0,1]=4 1296 B17R0.195 C=CCCCCCCCCCCSCC(=O)CC 62a_100011093070_100000747405 [0,1,0,0,0,0|2,0,1]=4 1297 B17R0.195 C=CCCCCCCCCCCSCC(O)CC 62a_100011093070_100011218378 [0,1,0,0,0,0|2,0,0]=3 1298 B17R0.195 C=CCCCCCCCCCCSCC(O)CC 62a_100011218378_100011093070 [0,1,0,0,0,0|2,0,0]=3 1299 B17R0.195 C=CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011093070 [0,1,0,0,0,0|3,0,0]=4 1300 B17R0.195 C=CCCCCCCCCCCSC[C@@H](C)CO 62a_100011093070_100000059175 [0,1,0,0,0,0|3,0,0]=4 1301 B17R0.195 C=CCCCCCCCCCNCCC(C)CC 2230a_100020591266_100009814027 [0,1,0,0,0,0|2,0,0]=3 1302 B17R0.195 C=CCCCCCCCCCOCCC(C)CC 7a_100011215188_100009814027 [0,1,0,0,0,0|2,0,0]=3 1303 B17R0.195 C=CCCCCCCCCOCCCC(C)CC 7a_100011216074_100011933949 [0,1,0,0,0,0|2,0,0]=3 1304 B17R0.195 C=CCCCCCCOCCCCCC(C)CC 7a_200000035636_100011215473 [0,1,0,0,0,0|2,0,0]=3 1305 B17R0.195 CCC(C)CCCCCOCCCCCCC#N 7a_200000035636_100009813337 [0,1,0,0,0,0|2,0,1]=4 1306 B17R0.195 CCC(C)COCCCCCCCCCCCBr 34a_100009812471_100000748023 [0,1,0,0,0,0|2,0,1]=4 1307 B17R0.195 CCC(C)COCCCCCCCCCCCBr 7a_100009812471_100000748023 [0,1,0,0,0,0|2,0,1]=4 1308 B17R0.195 CCC(C)CSCCCCCCCCCCCO 62a_100009812471_100000748023 [0,1,0,0,0,0|1,0,2]=4 1309 B17R0.195 CCC(C)SCCCCCCCCCCCCO 62a_100009813331_100000758301 [0,1,0,0,0,0|1,0,2]=4 1310 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [0,1,0,0,0,0|1,0,2]=4 1311 B17R0.195 CCCCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215471 [0,1,0,0,0,0|2,0,1]=4 1312 B17R0.195 CCCCCCCCCCCCCCN(C)CC 269982a_100000225621_100011215471 [0,1,0,0,0,0|2,0,1]=4 1313 B17R0.195 CCCCCCCCCCCCCNC(C)CC 2230a_100000209981_100000210684 [0,1,0,0,0,0|2,0,1]=4 1314 B17R0.195 CCCCCCCCCCCCCNC(C)CC 2230a_100011215765_100000758301 [0,1,0,0,0,0|2,0,1]=4 1315 B17R0.195 CCCCCCCCCCCCCNC(C)CC 270004a_100000209981_200011215488 [0,1,0,0,0,0|2,0,1]=4 1316 B17R0.195 CCCCCCCCCCCCCNC(C)CC 34a_100011215765_100011215416 [0,1,0,0,0,0|2,0,1]=4 1317 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CF 270004a_100102880703_200011215488 [0,1,0,0,0,0|2,0,1]=4 1318 B17R0.195 CCCCCCCCCCCCCOC(C)C#N 34a_100011218135_100000210684 [0,1,0,0,0,0|2,0,1]=4 1319 B17R0.195 CCCCCCCCCCCCCOC(C)C#N 7a_100000185773_100000703298 [0,1,0,0,0,0|2,0,1]=4 1320 B17R0.195 CCCCCCCCCCCCCOC(C)CF 34a_100016041109_100000210684 [0,1,0,0,0,0|2,0,1]=4 1321 B17R0.195 CCCCCCCCCCCCCOC(C)CF 7a_100016041109_100000210684 [0,1,0,0,0,0|2,0,1]=4 1322 B17R0.195 CCCCCCCCCCCCCSC(C)C#N 62a_100000703298_100011934334 [0,1,0,0,0,0|2,0,1]=4 1323 B17R0.195 CCCCCCCCCCCCCSC(C)CO 62a_100012180447_100011934334 [0,1,0,0,0,0|1,0,2]=4 1324 B17R0.195 CCCCCCCCCCCCCSC(F)C#N 62a_200000117898_100011934334 [0,1,0,0,0,0|2,0,1]=4 1325 B17R0.195 CCCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011934334 [0,1,0,0,0,0|1,0,2]=4 1326 B17R0.195 CCCCCCCCCCCCNCC(C)CC 2230a_100000210451_100000748023 [0,1,0,0,0,0|2,0,1]=4 1327 B17R0.195 CCCCCCCCCCCCNCC(C)CC 2230a_100020588543_100011215052 [0,1,0,0,0,0|2,0,1]=4 1328 B17R0.195 CCCCCCCCCCCCNCC(C)CC 270004a_100000210451_100000243153 [0,1,0,0,0,0|2,0,1]=4 1329 B17R0.195 CCCCCCCCCCCCNCC(C)CC 270004a_100020588543_100011218549 [0,1,0,0,0,0|2,0,1]=4 1330 B17R0.195 CCCCCCCCCCCCNCC(C)CC 34a_100000210451_100000748023 [0,1,0,0,0,0|2,0,1]=4 1331 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CC 2230a_100000210451_100009816398 [0,1,0,0,0,0|2,0,1]=4 1332 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CC 34a_100000210451_100009816398 [0,1,0,0,0,0|2,0,1]=4 1333 B17R0.195 CCCCCCCCCCCCOCC(C)CC 34a_100000210810_100000748023 [0,1,0,0,0,0|2,0,1]=4 1334 B17R0.195 CCCCCCCCCCCCOCC(C)CC 7a_100000210810_100000748023 [0,1,0,0,0,0|2,0,1]=4 1335 B17R0.195 CCCCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100000759014 [0,1,0,0,0,0|2,0,1]=4 1336 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 34a_100000210810_100009816398 [0,1,0,0,0,0|2,0,1]=4 1337 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100000210810_100009816398 [0,1,0,0,0,0|2,0,1]=4 1338 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000759014 [0,1,0,0,0,0|2,0,1]=4 1339 B17R0.195 CCCCCCCCCCCCSCC(O)CC 62a_100011218378_100000759014 [0,1,0,0,0,0|2,0,1]=4 1340 B17R0.195 CCCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000759014 [0,1,0,0,0,0|1,0,2]=4 1341 B17R0.195 CCCCCCCCCCCNCCC(C)CC 2230a_100020591266_100011215454 [0,1,0,0,0,0|2,0,1]=4 1342 B17R0.195 CCCCCCCCCCCOCCC(C)CC 7a_100011215188_100011215454 [0,1,0,0,0,0|2,0,1]=4 1343 B17R0.195 CCCCCCCCCCOCCCC(C)CC 7a_100011216074_100000210320 [0,1,0,0,0,0|2,0,1]=4 1344 B17R0.195 CCCCCCCCOCCCCCC(C)CC 7a_200000035636_100000210759 [0,1,0,0,0,0|2,0,1]=4 1345 B17R0.195 CC[C@H](C)COCCCCCCCCCCCBr 34a_100009812471_100009816398 [0,1,0,0,0,0|2,0,1]=4 1346 B17R0.195 CC[C@H](C)COCCCCCCCCCCCBr 7a_100009812471_100009816398 [0,1,0,0,0,0|2,0,1]=4 1347 B17R0.195 CC[C@H](C)CSCCCCCCCCCCCO 62a_100009812471_100009816398 [0,1,0,0,0,0|1,0,2]=4 1348 B17R0.196 C#CCCC(=O)CCCCCCCCCCCC 1458a_100000692101_100000759014 [0,1,0,0,0,0|1,0,2]=4 1349 B17R0.196 C#CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000753159 [0,1,0,0,0,0|1,0,2]=4 1350 B17R0.196 C#CCCCCCCCCCOC(C)CCCC 34a_100000034437_200011215066 [0,1,0,0,0,0|2,0,1]=4 1351 B17R0.196 C#CCCCCCCCCCOC(C)CCCC 7a_100000034437_200011215066 [0,1,0,0,0,0|2,0,1]=4 1352 B17R0.196 C#CCCCCCOCCCCC(C)CCCC 34a_200011021034_100012094781 [0,1,0,0,0,0|2,0,1]=4 1353 B17R0.196 C#CCCCCCOCCCCC(C)CCCC 7a_200011021034_100012094781 [0,1,0,0,0,0|2,0,1]=4 1354 B17R0.196 C#CCOC(C)CCCCCCCCCCCC 34a_100000210247_200011217028 [0,1,0,0,0,0|2,0,1]=4 1355 B17R0.196 C#CCOC(C)CCCCCCCCCCCC 34a_200011215752_100000184674 [0,1,0,0,0,0|2,0,1]=4 1356 B17R0.196 C#CCOC(C)CCCCCCCCCCCC 7a_200011215752_100000038162 [0,1,0,0,0,0|2,0,1]=4 1357 B17R0.196 C/C=C/CC(=O)CCCCCCCCCCCC 1458a_100011215791_100102629194 [0,1,0,0,0,0|1,0,2]=4 1358 B17R0.196 C/C=C/CN(C)CCCCCCCCCCCC 269982a_100000227908_100102629194 [0,1,0,0,0,0|2,0,1]=4 1359 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100000749702_100000759014 [0,1,0,0,0,0|1,0,1]=3 1360 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000754431 [0,1,0,0,0,0|1,0,1]=3 1361 B17R0.196 C=CCCC(C)NCCCCCCCCCCC 270004a_200011215754_100000762624 [0,1,0,0,0,0|2,0,0]=3 1362 B17R0.196 C=CCCC(C)OCCCCCCCCCCC 34a_100000765329_100011215454 [0,1,0,0,0,0|2,0,0]=3 1363 B17R0.196 C=CCCC(C)OCCCCCCCCCCC 7a_100000765329_100011215454 [0,1,0,0,0,0|2,0,0]=3 1364 B17R0.196 C=CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011093070 [0,1,0,0,0,0|1,0,1]=3 1365 B17R0.196 C=CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011093070 [0,1,0,0,0,0|2,0,1]=4 1366 B17R0.196 C=CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011093070 [0,1,0,0,0,0|2,0,1]=4 1367 B17R0.196 C=CCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011093070 [0,1,0,0,0,0|2,0,0]=3 1368 B17R0.196 C=CCCCCCCCCCCN(C)CCCC 269982a_100000207549_100011093070 [0,1,0,0,0,0|2,0,0]=3 1369 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 2230a_100000081888_200011215066 [0,1,0,0,0,0|2,0,0]=3 1370 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 2230a_100000126638_100009814027 [0,1,0,0,0,0|2,0,0]=3 1371 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 270004a_100000081888_100000210087 [0,1,0,0,0,0|2,0,0]=3 1372 B17R0.196 C=CCCCCCCCCCNC(C)CCCC 34a_100000081888_200011215066 [0,1,0,0,0,0|2,0,0]=3 1373 B17R0.196 C=CCCCCCCCCCNC(C)CCSC 270004a_100000081888_100011217047 [0,1,0,0,0,0|3,0,0]=4 1374 B17R0.196 C=CCCCCCCCCCNC(C)CSCC 270004a_100000081888_200011216171 [0,1,0,0,0,0|3,0,0]=4 1375 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 34a_100000038209_200011215066 [0,1,0,0,0,0|2,0,0]=3 1376 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 34a_100000687866_100009814027 [0,1,0,0,0,0|2,0,0]=3 1377 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 7a_100000038209_200011215066 [0,1,0,0,0,0|2,0,0]=3 1378 B17R0.196 C=CCCCCCCCCCOC(C)CCCC 7a_100000687866_100009814027 [0,1,0,0,0,0|2,0,0]=3 1379 B17R0.196 C=CCCCCCCCCCOC(C)CCCCl 34a_200000718107_100009814027 [0,1,0,0,0,0|3,0,0]=4 1380 B17R0.196 C=CCCCCCCCCCOC(C)CCCCl 7a_200000718107_100009814027 [0,1,0,0,0,0|3,0,0]=4 1381 B17R0.196 C=CCCCCCCCCOCC(C)CCCC 34a_100011995851_100011933949 [0,1,0,0,0,0|2,0,0]=3 1382 B17R0.196 C=CCCCCCCCCOCC(C)CCCC 7a_100011995851_100011933949 [0,1,0,0,0,0|2,0,0]=3 1383 B17R0.196 C=CCCCCCOCCCCC(C)CCCC 34a_200011021034_100000700193 [0,1,0,0,0,0|2,0,0]=3 1384 B17R0.196 C=CCCCCCOCCCCC(C)CCCC 7a_200011021034_100000700193 [0,1,0,0,0,0|2,0,0]=3 1385 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 2230a_100000227908_100000754431 [0,1,0,0,0,0|2,0,0]=3 1386 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 2230a_100020639649_100011215052 [0,1,0,0,0,0|2,0,0]=3 1387 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 269982a_100000227908_100000754431 [0,1,0,0,0,0|2,0,0]=3 1388 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 269982a_100020639649_100000759014 [0,1,0,0,0,0|2,0,0]=3 1389 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 270004a_100020639649_100011218549 [0,1,0,0,0,0|2,0,0]=3 1390 B17R0.196 C=CCNC(C)CCCCCCCCCCCC 2230a_100020586998_200011217028 [0,1,0,0,0,0|2,0,0]=3 1391 B17R0.196 C=CCNC(C)CCCCCCCCCCCC 270004a_100020586998_100011219199 [0,1,0,0,0,0|2,0,0]=3 1392 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 34a_200000210373_200011217028 [0,1,0,0,0,0|2,0,0]=3 1393 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 34a_200011215752_100015514636 [0,1,0,0,0,0|2,0,0]=3 1394 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 7a_200011215752_100015514636 [0,1,0,0,0,0|2,0,0]=3 1395 B17R0.196 CC=CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000070051 [0,1,0,0,0,0|1,0,2]=4 1396 B17R0.196 CC=CCC(=O)CCCCCCCCCCCC 1458a_100121576822_100000759014 [0,1,0,0,0,0|1,0,2]=4 1397 B17R0.196 CC=CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000070051 [0,1,0,0,0,0|2,0,1]=4 1398 B17R0.196 CCCCC(C)CCCCOCCCCCC#N 7a_200011021034_100009813376 [0,1,0,0,0,0|2,0,1]=4 1399 B17R0.196 CCCCC(C)CCCCOCCCCCCF 34a_200011021034_100015922095 [0,1,0,0,0,0|2,0,1]=4 1400 B17R0.196 CCCCC(C)CCCCOCCCCCCF 7a_200011021034_100015922095 [0,1,0,0,0,0|2,0,1]=4 1401 B17R0.196 CCCCC(C)OCCCCCCCCCCCl 34a_200000033068_200011215066 [0,1,0,0,0,0|2,0,1]=4 1402 B17R0.196 CCCCC(C)OCCCCCCCCCCCl 7a_200000033068_200011215066 [0,1,0,0,0,0|2,0,1]=4 1403 B17R0.196 CCCCC(C)SCCCCCCCCCCO 62a_100009813290_200011215066 [0,1,0,0,0,0|1,0,2]=4 1404 B17R0.196 CCCCC(C)SCCCCCCCCCCO 62a_200011215066_200000033068 [0,1,0,0,0,0|1,0,2]=4 1405 B17R0.196 CCCCCCCCCCCCC(=O)CCC#N 1458a_100011215791_100011215226 [0,1,0,0,0,0|1,0,2]=4 1406 B17R0.196 CCCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000759014 [0,1,0,0,0,0|1,0,2]=4 1407 B17R0.196 CCCCCCCCCCCCC(=O)CCCF 1458a_100011215791_100011934791 [0,1,0,0,0,0|1,0,2]=4 1408 B17R0.196 CCCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000759014 [0,1,0,0,0,0|2,0,1]=4 1409 B17R0.196 CCCCCCCCCCCCC(=O)CCSC 1458a_100011215791_100000751147 [0,1,0,0,0,0|2,0,1]=4 1410 B17R0.196 CCCCCCCCCCCCC(C)COCC 34a_100000724949_100000210202 [0,1,0,0,0,0|2,0,1]=4 1411 B17R0.196 CCCCCCCCCCCCC(C)COCC 7a_100000724949_100000210202 [0,1,0,0,0,0|2,0,1]=4 1412 B17R0.196 CCCCCCCCCCCCC(C)COCF 34a_100000724949_100015361967 [0,1,0,0,0,0|2,0,1]=4 1413 B17R0.196 CCCCCCCCCCCCC(C)COCF 7a_100000724949_100015361967 [0,1,0,0,0,0|2,0,1]=4 1414 B17R0.196 CCCCCCCCCCCCC(C)NCCC 270004a_100020643023_100011219199 [0,1,0,0,0,0|2,0,1]=4 1415 B17R0.196 CCCCCCCCCCCCC(C)NCCF 34a_100000724931_200011217028 [0,1,0,0,0,0|2,0,1]=4 1416 B17R0.196 CCCCCCCCCCCCC(C)OCC#N 7a_200011215752_100011215382 [0,1,0,0,0,0|2,0,1]=4 1417 B17R0.196 CCCCCCCCCCCCC(C)OCCF 34a_200011215752_100011217306 [0,1,0,0,0,0|2,0,1]=4 1418 B17R0.196 CCCCCCCCCCCCC(C)OCCF 7a_200011215752_100011217306 [0,1,0,0,0,0|2,0,1]=4 1419 B17R0.196 CCCCCCCCCCCCC(C)SCC#N 62a_100011215382_200011217028 [0,1,0,0,0,0|2,0,1]=4 1420 B17R0.196 CCCCCCCCCCCCC(C)SCC#N 62a_200011217028_100011215382 [0,1,0,0,0,0|2,0,1]=4 1421 B17R0.196 CCCCCCCCCCCCC(C)SCC=O 62a_200011217028_200015260668 [0,1,0,0,0,0|1,0,0]=2 1422 B17R0.196 CCCCCCCCCCCCC(C)SCC=O 62a_200015260668_200011217028 [0,1,0,0,0,0|1,0,0]=2 1423 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_100000211926_200011217028 [0,1,0,0,0,0|1,0,2]=4 1424 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_200011217028_100000211926 [0,1,0,0,0,0|1,0,2]=4 1425 B17R0.196 CCCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215052 [0,1,0,0,0,0|2,0,1]=4 1426 B17R0.196 CCCCCCCCCCCCN(C)CCCC 2230a_100000227908_100000210211 [0,1,0,0,0,0|2,0,1]=4 1427 B17R0.196 CCCCCCCCCCCCN(C)CCCC 269982a_100000207549_100000759014 [0,1,0,0,0,0|2,0,1]=4 1428 B17R0.196 CCCCCCCCCCCCN(C)CCCC 269982a_100000227908_100000210211 [0,1,0,0,0,0|2,0,1]=4 1429 B17R0.196 CCCCCCCCCCCCN(C)CCCC 270004a_100000207549_100011218549 [0,1,0,0,0,0|2,0,1]=4 1430 B17R0.196 CCCCCCCCCCCCN(C)CCCF 2230a_100000227908_100011934791 [0,1,0,0,0,0|2,0,1]=4 1431 B17R0.196 CCCCCCCCCCCCN(C)CCCF 269982a_100000227908_100011934791 [0,1,0,0,0,0|2,0,1]=4 1432 B17R0.196 CCCCCCCCCCCCN(C)CCSC 2230a_100000227908_100000751147 [0,1,0,0,0,0|3,0,0]=4 1433 B17R0.196 CCCCCCCCCCCCN(C)CCSC 2230a_100000686725_100011215052 [0,1,0,0,0,0|3,0,0]=4 1434 B17R0.196 CCCCCCCCCCCCN(C)CCSC 269982a_100000227908_100000212216 [0,1,0,0,0,0|3,0,0]=4 1435 B17R0.196 CCCCCCCCCCCCN(C)CCSC 269982a_100000686725_100000759014 [0,1,0,0,0,0|3,0,0]=4 1436 B17R0.196 CCCCCCCCCCCCN(C)CCSC 270004a_100000686725_100011218549 [0,1,0,0,0,0|3,0,0]=4 1437 B17R0.196 CCCCCCCCCCCNC(C)CCCC 2230a_100000126638_100011215454 [0,1,0,0,0,0|2,0,1]=4 1438 B17R0.196 CCCCCCCCCCCNC(C)CCCC 2230a_200011215754_200011215066 [0,1,0,0,0,0|2,0,1]=4 1439 B17R0.196 CCCCCCCCCCCNC(C)CCCC 270004a_200011215754_100000210087 [0,1,0,0,0,0|2,0,1]=4 1440 B17R0.196 CCCCCCCCCCCNC(C)CCCC 34a_200011215754_200011215066 [0,1,0,0,0,0|2,0,1]=4 1441 B17R0.196 CCCCCCCCCCCNC(C)CCSC 270004a_200011215754_100011217047 [0,1,0,0,0,0|3,0,0]=4 1442 B17R0.196 CCCCCCCCCCCOC(C)CCCCl 34a_200000718107_100011215454 [0,1,0,0,0,0|2,0,1]=4 1443 B17R0.196 CCCCCCCCCCCOC(C)CCCCl 7a_200000718107_100011215454 [0,1,0,0,0,0|2,0,1]=4 1444 B17R0.196 CCCCCCCCCCOCC(C)CCCC 34a_100011995851_100000210320 [0,1,0,0,0,0|2,0,1]=4 1445 B17R0.196 CCCCCCCCCCOCC(C)CCCC 7a_100011995851_100000210320 [0,1,0,0,0,0|2,0,1]=4 1446 B17R0.196 CCCCCCCOCCCCC(C)CCCC 34a_200011021034_100000210614 [0,1,0,0,0,0|2,0,1]=4 1447 B17R0.196 CCCCCCCOCCCCC(C)CCCC 7a_200011021034_100000210614 [0,1,0,0,0,0|2,0,1]=4 1448 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000184674 [0,1,0,0,0,0|1,0,2]=4 1449 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100011220946_100000210684 [0,1,0,0,0,0|1,0,2]=4 1450 B17R0.250 C#CCC(C)OCCCCCCCCCCCC 34a_100000685586_100000759014 [0,1,0,0,0,0|2,0,1]=4 1451 B17R0.250 C#CCC(C)OCCCCCCCCCCCC 7a_100000685586_100000759014 [0,1,0,0,0,0|2,0,1]=4 1452 B17R0.250 C#CCCCCCCCCCCOC(C)CCC 34a_100000054667_100000766640 [0,1,0,0,0,0|2,0,1]=4 1453 B17R0.250 C#CCCCCCCCCCCOC(C)CCC 7a_100000054667_100000766640 [0,1,0,0,0,0|2,0,1]=4 1454 B17R0.250 C#CCCCCCCCCCOCC(C)CCC 34a_100000034437_100011216630 [0,1,0,0,0,0|2,0,1]=4 1455 B17R0.250 C#CCCCCCCCCCOCC(C)CCC 7a_100000034437_100011216630 [0,1,0,0,0,0|2,0,1]=4 1456 B17R0.250 C#CCCCCCCCOCCCC(C)CCC 34a_100011713154_100153394163 [0,1,0,0,0,0|2,0,1]=4 1457 B17R0.250 C#CCCCCCCCOCCCC(C)CCC 7a_100011713154_100153394163 [0,1,0,0,0,0|2,0,1]=4 1458 B17R0.250 C/C=C/C(C)OCCCCCCCCCCCC 34a_200102604097_100000759014 [0,1,0,0,0,0|2,0,1]=4 1459 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000210193_100000210684 [0,1,0,0,0,0|1,0,1]=3 1460 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000210623 [0,1,0,0,0,0|1,0,1]=3 1461 B17R0.250 C=CCC(C)COCCCCCCCCCCC 34a_100009832082_100011215454 [0,1,0,0,0,0|2,0,0]=3 1462 B17R0.250 C=CCC(C)COCCCCCCCCCCC 7a_100009832082_100011215454 [0,1,0,0,0,0|2,0,0]=3 1463 B17R0.250 C=CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_102130925996 [0,1,0,0,0,0|1,0,1]=3 1464 B17R0.250 C=CCCCCCCCCCCCC(=O)CSC 1458a_100000184570_102130925996 [0,1,0,0,0,0|2,0,1]=4 1465 B17R0.250 C=CCCCCCCCCCCCN(C)CCC 2230a_100000747261_102130925996 [0,1,0,0,0,0|2,0,0]=3 1466 B17R0.250 C=CCCCCCCCCCCCN(C)CCC 269982a_100000747261_102130925996 [0,1,0,0,0,0|2,0,0]=3 1467 B17R0.250 C=CCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011093070 [0,1,0,0,0,0|2,0,0]=3 1468 B17R0.250 C=CCCCCCCCCCCOC(C)CCBr 34a_100012276601_100011093070 [0,1,0,0,0,0|3,0,0]=4 1469 B17R0.250 C=CCCCCCCCCCCOC(C)CCC 34a_100000764384_100011093070 [0,1,0,0,0,0|2,0,0]=3 1470 B17R0.250 C=CCCCCCCCCCCOC(C)CCC 7a_100000764384_100011093070 [0,1,0,0,0,0|2,0,0]=3 1471 B17R0.250 C=CCCCCCCCCCCSC(C)CCO 62a_100009893172_100011093070 [0,1,0,0,0,0|3,0,0]=4 1472 B17R0.250 C=CCCCCCCCCCCSC(C)CCO 62a_100011093070_100009893172 [0,1,0,0,0,0|3,0,0]=4 1473 B17R0.250 C=CCCCCCCCCCCSC(C)COC 62a_100000765312_100011093070 [0,1,0,0,0,0|3,0,0]=4 1474 B17R0.250 C=CCCCCCCCCCCSC(C)COC 62a_100011093070_100000765312 [0,1,0,0,0,0|3,0,0]=4 1475 B17R0.250 C=CCCCCCCCCCNCC(C)CCC 2230a_100000081888_100011216630 [0,1,0,0,0,0|2,0,0]=3 1476 B17R0.250 C=CCCCCCCCCCNCC(C)CCC 270004a_100000081888_100000243154 [0,1,0,0,0,0|2,0,0]=3 1477 B17R0.250 C=CCCCCCCCCCNCC(C)CCC 34a_100000081888_100011216630 [0,1,0,0,0,0|2,0,0]=3 1478 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 34a_100000038209_100011216630 [0,1,0,0,0,0|2,0,0]=3 1479 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 34a_100000688023_100009814027 [0,1,0,0,0,0|2,0,0]=3 1480 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 7a_100000038209_100011216630 [0,1,0,0,0,0|2,0,0]=3 1481 B17R0.250 C=CCCCCCCCCCOCC(C)CCC 7a_100000688023_100009814027 [0,1,0,0,0,0|2,0,0]=3 1482 B17R0.250 C=CCCCCCCCCCSCC(=O)CCC 62a_100000747444_100009814027 [0,1,0,0,0,0|2,0,1]=4 1483 B17R0.250 C=CCCCCCCCCCSCC(=O)CCC 62a_100009814027_100000747444 [0,1,0,0,0,0|2,0,1]=4 1484 B17R0.250 C=CCCCCCCCCOCCC(C)CCC 34a_100011217855_100011933949 [0,1,0,0,0,0|2,0,0]=3 1485 B17R0.250 C=CCCCCCCCCOCCC(C)CCC 7a_100011217855_100011933949 [0,1,0,0,0,0|2,0,0]=3 1486 B17R0.250 C=CCCCCCCCOCCCC(C)CCC 34a_100011713154_100012355270 [0,1,0,0,0,0|2,0,0]=3 1487 B17R0.250 C=CCCCCCCCOCCCC(C)CCC 7a_100011713154_100012355270 [0,1,0,0,0,0|2,0,0]=3 1488 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 2230a_100000225617_100000210684 [0,1,0,0,0,0|2,0,0]=3 1489 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 269982a_100000225617_100000210684 [0,1,0,0,0,0|2,0,0]=3 1490 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 270004a_100000225617_200011215488 [0,1,0,0,0,0|2,0,0]=3 1491 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCC 34a_100000731007_100000759014 [0,1,0,0,0,0|2,0,0]=3 1492 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCC 7a_100000731007_100000759014 [0,1,0,0,0,0|2,0,0]=3 1493 B17R0.250 CC=CC(=O)CCCCCCCCCCCCC 1458a_100000210699_100000210684 [0,1,0,0,0,0|1,0,2]=4 1494 B17R0.250 CCCC(C)COCCCCCCCCCCBr 34a_100009813290_100011216630 [0,1,0,0,0,0|2,0,1]=4 1495 B17R0.250 CCCC(C)COCCCCCCCCCCBr 7a_100009813290_100011216630 [0,1,0,0,0,0|2,0,1]=4 1496 B17R0.250 CCCC(C)COCCCCCCCCCCCl 34a_200000033068_100011216630 [0,1,0,0,0,0|2,0,1]=4 1497 B17R0.250 CCCC(C)COCCCCCCCCCCCl 7a_200000033068_100011216630 [0,1,0,0,0,0|2,0,1]=4 1498 B17R0.250 CCCC(C)CSCCCCCCCCCCO 62a_100009813290_100011216630 [0,1,0,0,0,0|1,0,2]=4 1499 B17R0.250 CCCC(C)CSCCCCCCCCCCO 62a_100011216630_200000033068 [0,1,0,0,0,0|1,0,2]=4 1500 B17R0.250 CCCC(C)SCCCCCCCCCCCO 62a_100009812471_100000766640 [0,1,0,0,0,0|1,0,2]=4 1501 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100000756256_100011214920 [0,1,0,0,0,0|1,0,2]=4 1502 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210684 [0,1,0,0,0,0|1,0,2]=4 1503 B17R0.250 CCCCCCCCCCCCCC(=O)CCF 1458a_100000756256_100011217306 [0,1,0,0,0,0|1,0,2]=4 1504 B17R0.250 CCCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210684 [0,1,0,0,0,0|2,0,1]=4 1505 B17R0.250 CCCCCCCCCCCCCC(C)NCC 270004a_100015525214_100011216122 [0,1,0,0,0,0|2,0,1]=4 1506 B17R0.250 CCCCCCCCCCCCCN(C)CCC 2230a_100000747261_100000210684 [0,1,0,0,0,0|2,0,1]=4 1507 B17R0.250 CCCCCCCCCCCCCN(C)CCC 269982a_100000747261_100000210684 [0,1,0,0,0,0|2,0,1]=4 1508 B17R0.250 CCCCCCCCCCCCCN(C)CCC 270004a_100000747261_200011215488 [0,1,0,0,0,0|2,0,1]=4 1509 B17R0.250 CCCCCCCCCCCCNC(C)CCC 2230a_100000210451_100000766640 [0,1,0,0,0,0|2,0,1]=4 1510 B17R0.250 CCCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011215052 [0,1,0,0,0,0|2,0,1]=4 1511 B17R0.250 CCCCCCCCCCCCNC(C)CCC 270004a_100000210451_100000211909 [0,1,0,0,0,0|2,0,1]=4 1512 B17R0.250 CCCCCCCCCCCCNC(C)CCC 270004a_100000741246_100011218549 [0,1,0,0,0,0|2,0,1]=4 1513 B17R0.250 CCCCCCCCCCCCNC(C)CCC 34a_100000210451_100000766640 [0,1,0,0,0,0|2,0,1]=4 1514 B17R0.250 CCCCCCCCCCCCNC(C)CSC 270004a_100000210451_100011216314 [0,1,0,0,0,0|3,0,0]=4 1515 B17R0.250 CCCCCCCCCCCCOC(C)CC#N 7a_100000210810_100009813641 [0,1,0,0,0,0|2,0,1]=4 1516 B17R0.250 CCCCCCCCCCCCSC(C)CC#N 62a_100009813641_100000759014 [0,1,0,0,0,0|2,0,1]=4 1517 B17R0.250 CCCCCCCCCCCCSC(C)CCO 62a_100009893172_100000759014 [0,1,0,0,0,0|1,0,2]=4 1518 B17R0.250 CCCCCCCCCCCCSC(C)COC 62a_100000765312_100000759014 [0,1,0,0,0,0|3,0,0]=4 1519 B17R0.250 CCCCCCCCCCCNCC(C)CCC 2230a_200011215754_100011216630 [0,1,0,0,0,0|2,0,1]=4 1520 B17R0.250 CCCCCCCCCCCNCC(C)CCC 270004a_200011215754_100000243154 [0,1,0,0,0,0|2,0,1]=4 1521 B17R0.250 CCCCCCCCCCCNCC(C)CCC 34a_200011215754_100011216630 [0,1,0,0,0,0|2,0,1]=4 1522 B17R0.250 CCCCCCCCCCCOCC(C)CCC 34a_100000210809_100011216630 [0,1,0,0,0,0|2,0,1]=4 1523 B17R0.250 CCCCCCCCCCCOCC(C)CCC 34a_100000688023_100011215454 [0,1,0,0,0,0|2,0,1]=4 1524 B17R0.250 CCCCCCCCCCCOCC(C)CCC 7a_100000210809_100011216630 [0,1,0,0,0,0|2,0,1]=4 1525 B17R0.250 CCCCCCCCCCCOCC(C)CCC 7a_100000688023_100011215454 [0,1,0,0,0,0|2,0,1]=4 1526 B17R0.250 CCCCCCCCCCOCCC(C)CCC 34a_100011217855_100000210320 [0,1,0,0,0,0|2,0,1]=4 1527 B17R0.250 CCCCCCCCCCOCCC(C)CCC 7a_100011217855_100000210320 [0,1,0,0,0,0|2,0,1]=4 1528 B17R0.250 CCCCCCCCCOCCCC(C)CCC 34a_100011713154_100011214924 [0,1,0,0,0,0|2,0,1]=4 1529 B17R0.250 CCCCCCCCCOCCCC(C)CCC 7a_100011713154_100000210328 [0,1,0,0,0,0|2,0,1]=4 1530 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000731252 [0,1,0,0,0,0|1,0,2]=4 1531 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000690238_100011215454 [0,1,0,0,0,0|1,0,2]=4 1532 B17R0.3110 C#CCCCCCCCCOC(C)CCCCC 34a_100000065265_200011218191 [0,1,0,0,0,0|2,0,1]=4 1533 B17R0.3110 C#CCCCCCCCCOC(C)CCCCC 7a_100000065265_200011218191 [0,1,0,0,0,0|2,0,1]=4 1534 B17R0.3110 C#CCCOC(C)CCCCCCCCCCC 34a_100011217895_100000688953 [0,1,0,0,0,0|2,0,1]=4 1535 B17R0.3110 C#CCCOC(C)CCCCCCCCCCC 7a_100011217895_100000688953 [0,1,0,0,0,0|2,0,1]=4 1536 B17R0.3110 C/C=C/COC(C)CCCCCCCCCCC 34a_100011217895_100102629194 [0,1,0,0,0,0|2,0,1]=4 1537 B17R0.3110 C/C=C/COC(C)CCCCCCCCCCC 7a_100011217895_100102629194 [0,1,0,0,0,0|2,0,1]=4 1538 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [0,1,0,0,0,0|1,0,1]=3 1539 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [0,1,0,0,0,0|1,0,1]=3 1540 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100009814027 [0,1,0,0,0,0|1,0,1]=3 1541 B17R0.3110 C=CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100009814027 [0,1,0,0,0,0|2,0,1]=4 1542 B17R0.3110 C=CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100009814027 [0,1,0,0,0,0|2,0,1]=4 1543 B17R0.3110 C=CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100009814027 [0,1,0,0,0,0|2,0,1]=4 1544 B17R0.3110 C=CCCCCCCCCCN(C)CCCCC 2230a_100000223495_100009814027 [0,1,0,0,0,0|2,0,0]=3 1545 B17R0.3110 C=CCCCCCCCCCN(C)CCCCC 269982a_100000223495_100009814027 [0,1,0,0,0,0|2,0,0]=3 1546 B17R0.3110 C=CCCCCCCCCNC(C)CCCCC 2230a_100000211957_100011933949 [0,1,0,0,0,0|2,0,0]=3 1547 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 34a_100011215194_200011218191 [0,1,0,0,0,0|2,0,0]=3 1548 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 34a_100011215632_100011933949 [0,1,0,0,0,0|2,0,0]=3 1549 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 7a_100011215194_200011218191 [0,1,0,0,0,0|2,0,0]=3 1550 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 7a_100011215632_100011933949 [0,1,0,0,0,0|2,0,0]=3 1551 B17R0.3110 C=CCCCCCCCSCC(=O)CCCCC 62a_100012355270_200012276598 [0,1,0,0,0,0|2,0,1]=4 1552 B17R0.3110 C=CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100012355270 [0,1,0,0,0,0|2,0,1]=4 1553 B17R0.3110 C=CCCNC(C)CCCCCCCCCCC 270004a_100015191253_100011216755 [0,1,0,0,0,0|2,0,0]=3 1554 B17R0.3110 C=CCCOC(C)CCCCCCCCCCC 34a_100011217895_100000754431 [0,1,0,0,0,0|2,0,0]=3 1555 B17R0.3110 C=CCCOC(C)CCCCCCCCCCC 7a_100011217895_100000754431 [0,1,0,0,0,0|2,0,0]=3 1556 B17R0.3110 C=CCSCC(=O)CCCCCCCCCCC 1458a_100000230395_100011215454 [0,1,0,0,0,0|2,0,1]=4 1557 B17R0.3110 C=COCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000039644 [0,1,0,0,0,0|2,0,1]=4 1558 B17R0.3110 CC=CCOC(C)CCCCCCCCCCC 34a_100011217895_100000070051 [0,1,0,0,0,0|2,0,1]=4 1559 B17R0.3110 CC=CCOC(C)CCCCCCCCCCC 7a_100011217895_100000070051 [0,1,0,0,0,0|2,0,1]=4 1560 B17R0.3110 CCCCCC(C)OCCCCCCCCCCl 34a_100009868337_200011218191 [0,1,0,0,0,0|2,0,1]=4 1561 B17R0.3110 CCCCCC(C)OCCCCCCCCCCl 7a_100009868337_200011218191 [0,1,0,0,0,0|2,0,1]=4 1562 B17R0.3110 CCCCCC(C)SCCCCCCCCCO 62a_100009813782_200011218191 [0,1,0,0,0,0|1,0,2]=4 1563 B17R0.3110 CCCCCC(C)SCCCCCCCCCO 62a_200011218191_100009813782 [0,1,0,0,0,0|1,0,2]=4 1564 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011215454 [0,1,0,0,0,0|1,0,2]=4 1565 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000210736_100000211468 [0,1,0,0,0,0|1,0,2]=4 1566 B17R0.3110 CCCCCCCCCCCC(=O)CCCCF 1458a_100000210736_100000729493 [0,1,0,0,0,0|1,0,2]=4 1567 B17R0.3110 CCCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011215454 [0,1,0,0,0,0|2,0,1]=4 1568 B17R0.3110 CCCCCCCCCCCC(C)NCCCC 270004a_100000102301_100011216755 [0,1,0,0,0,0|2,0,1]=4 1569 B17R0.3110 CCCCCCCCCCCC(C)NCCCF 270004a_100015189416_100011216755 [0,1,0,0,0,0|2,0,1]=4 1570 B17R0.3110 CCCCCCCCCCCC(C)NCCSC 270004a_100020590264_100011216755 [0,1,0,0,0,0|3,0,0]=4 1571 B17R0.3110 CCCCCCCCCCCC(C)OCCC#N 7a_100011217895_100000184422 [0,1,0,0,0,0|2,0,1]=4 1572 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 34a_100011217895_100011934791 [0,1,0,0,0,0|2,0,1]=4 1573 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 7a_100011217895_100011934791 [0,1,0,0,0,0|2,0,1]=4 1574 B17R0.3110 CCCCCCCCCCCC(C)OCCSC 34a_100011217895_100000212216 [0,1,0,0,0,0|3,0,0]=4 1575 B17R0.3110 CCCCCCCCCCCC(C)OCCSC 7a_100011217895_100000212216 [0,1,0,0,0,0|3,0,0]=4 1576 B17R0.3110 CCCCCCCCCCCN(C)CCCCC 2230a_100000223495_100011215454 [0,1,0,0,0,0|2,0,1]=4 1577 B17R0.3110 CCCCCCCCCCCN(C)CCCCC 269982a_100000223495_100011215454 [0,1,0,0,0,0|2,0,1]=4 1578 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 2230a_100000211957_100000210320 [0,1,0,0,0,0|2,0,1]=4 1579 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 2230a_100000684558_200011218191 [0,1,0,0,0,0|2,0,1]=4 1580 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 270004a_100000684558_100000211708 [0,1,0,0,0,0|2,0,1]=4 1581 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 34a_100000684558_200011218191 [0,1,0,0,0,0|2,0,1]=4 1582 B17R0.3110 CCCCCCCCCCNC(C)CCCSC 270004a_100000684558_100011399439 [0,1,0,0,0,0|3,0,0]=4 1583 B17R0.8809 C#CCCCCCC(=O)CCCCCCCCC 1458a_100000210558_100012094781 [0,1,0,0,0,0|1,0,2]=4 1584 B17R0.8809 C#CCCCCCC(=O)CCCCCCCCC 1458a_100000694772_100000210670 [0,1,0,0,0,0|1,0,2]=4 1585 B17R0.8809 C#CCCCCCCCC(=O)CCCCCCC 1458a_100000087357_100000210614 [0,1,0,0,0,0|1,0,2]=4 1586 B17R0.8809 C#CCCCCCCCC(=O)CCCCCCC 1458a_100000211969_100153394163 [0,1,0,0,0,0|1,0,2]=4 1587 B17R0.8809 C#CCCCCCCOC(C)CCCCCCC 34a_100011217361_200011218727 [0,1,0,0,0,0|2,0,1]=4 1588 B17R0.8809 C#CCCCCCCOC(C)CCCCCCC 34a_200011215852_100012276617 [0,1,0,0,0,0|2,0,1]=4 1589 B17R0.8809 C#CCCCCCCOC(C)CCCCCCC 7a_100011217361_200011218727 [0,1,0,0,0,0|2,0,1]=4 1590 B17R0.8809 C#CCCCCCCOC(C)CCCCCCC 7a_200011215852_100012276617 [0,1,0,0,0,0|2,0,1]=4 1591 B17R0.8809 C#CCCCCOC(C)CCCCCCCCC 34a_100011218016_100010269958 [0,1,0,0,0,0|2,0,1]=4 1592 B17R0.8809 C#CCCCCOC(C)CCCCCCCCC 7a_100011218016_100010269958 [0,1,0,0,0,0|2,0,1]=4 1593 B17R0.8809 C=CCCCCCC(=O)CCCCCCCCC 1458a_100000210558_100000700193 [0,1,0,0,0,0|1,0,1]=3 1594 B17R0.8809 C=CCCCCCC(=O)CCCCCCCCC 1458a_100011934241_100000210670 [0,1,0,0,0,0|1,0,1]=3 1595 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCC 1458a_100000211969_100012355270 [0,1,0,0,0,0|1,0,1]=3 1596 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCC 1458a_100011216160_100000210614 [0,1,0,0,0,0|1,0,1]=3 1597 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCF 1458a_100011216160_100015922095 [0,1,0,0,0,0|2,0,1]=4 1598 B17R0.8809 C=CCCCCCCCN(C)CCCCCCC 2230a_100000228206_100012355270 [0,1,0,0,0,0|2,0,0]=3 1599 B17R0.8809 C=CCCCCCCCN(C)CCCCCCC 269982a_100000228206_100012355270 [0,1,0,0,0,0|2,0,0]=3 1600 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 34a_200011215852_100011215473 [0,1,0,0,0,0|2,0,0]=3 1601 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 34a_200011216477_200011218727 [0,1,0,0,0,0|2,0,0]=3 1602 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 7a_200011215852_100011215473 [0,1,0,0,0,0|2,0,0]=3 1603 B17R0.8809 C=CCCCCCCOC(C)CCCCCCC 7a_200011216477_200011218727 [0,1,0,0,0,0|2,0,0]=3 1604 B17R0.8809 C=CCCCCCN(C)CCCCCCCCC 2230a_100000232482_100000700193 [0,1,0,0,0,0|2,0,0]=3 1605 B17R0.8809 C=CCCCCCN(C)CCCCCCCCC 269982a_100000232482_100000700193 [0,1,0,0,0,0|2,0,0]=3 1606 B17R0.8809 C=CCCCCNC(C)CCCCCCCCC 270004a_100000703577_100011215753 [0,1,0,0,0,0|2,0,0]=3 1607 B17R0.8809 C=CCCCCOC(C)CCCCCCCCC 34a_100011218016_100011215482 [0,1,0,0,0,0|2,0,0]=3 1608 B17R0.8809 C=CCCCCOC(C)CCCCCCCCC 7a_100011218016_100011215482 [0,1,0,0,0,0|2,0,0]=3 1609 B17R0.8809 C=CCCCNCC(C)CCCCCCCCC 270004a_100000700776_200011218516 [0,1,0,0,0,0|2,0,0]=3 1610 B17R0.8809 CCCCCCCC(C)OCCCCCCC#N 7a_200011215852_100009813337 [0,1,0,0,0,0|2,0,1]=4 1611 B17R0.8809 CCCCCCCC(C)SCCCCCCC#N 62a_100009813337_200011218727 [0,1,0,0,0,0|2,0,1]=4 1612 B17R0.8809 CCCCCCCC(C)SCCCCCCC#N 62a_200011218727_100009813337 [0,1,0,0,0,0|2,0,1]=4 1613 B17R0.8809 CCCCCCCC(C)SCCCCCCCO 62a_100000760002_200011218727 [0,1,0,0,0,0|1,0,2]=4 1614 B17R0.8809 CCCCCCCC(C)SCCCCCCCO 62a_200011218727_100000760002 [0,1,0,0,0,0|1,0,2]=4 1615 B17R0.8809 CCCCCCCC(C)SCCCCCCOC 62a_100011998445_200011218727 [0,1,0,0,0,0|3,0,0]=4 1616 B17R0.8809 CCCCCCCC(C)SCCCCCCOC 62a_200011218727_100011998445 [0,1,0,0,0,0|3,0,0]=4 1617 B17R0.8809 CCCCCCCCCC(=O)CCCCCC#N 1458a_100000210558_100009813376 [0,1,0,0,0,0|1,0,2]=4 1618 B17R0.8809 CCCCCCCCCC(=O)CCCCCCF 1458a_100000210558_100015922095 [0,1,0,0,0,0|1,0,2]=4 1619 B17R0.8809 CCCCCCCCCC(C)CNCCCCC 270004a_100000209983_200011218516 [0,1,0,0,0,0|2,0,1]=4 1620 B17R0.8809 CCCCCCCCCC(C)CNCCCSC 270004a_100000749238_200011218516 [0,1,0,0,0,0|3,0,0]=4 1621 B17R0.8809 CCCCCCCCCC(C)NCCCCCC 270004a_100000210581_100011215753 [0,1,0,0,0,0|2,0,1]=4 1622 B17R0.8809 CCCCCCCCCC(C)OCCCCC#N 7a_100011218016_100000211819 [0,1,0,0,0,0|2,0,1]=4 1623 B17R0.8809 CCCCCCCCCC(C)OCCCCCF 34a_100011218016_100000729378 [0,1,0,0,0,0|2,0,1]=4 1624 B17R0.8809 CCCCCCCCCC(C)OCCCCCF 7a_100011218016_100000729378 [0,1,0,0,0,0|2,0,1]=4 1625 B17R0.8809 CCCCCCCCCN(C)CCCCCCC 2230a_100000228206_100011214924 [0,1,0,0,0,0|2,0,1]=4 1626 B17R0.8809 CCCCCCCCCN(C)CCCCCCC 2230a_100000232482_100000210681 [0,1,0,0,0,0|2,0,1]=4 1627 B17R0.8809 CCCCCCCCCN(C)CCCCCCC 269982a_100000228206_100000210670 [0,1,0,0,0,0|2,0,1]=4 1628 B17R0.8809 CCCCCCCCCN(C)CCCCCCC 269982a_100000232482_100000210681 [0,1,0,0,0,0|2,0,1]=4 1629 B17R0.8809 CCCCCCCCCN(C)CCCCCCF 2230a_100000232482_100015922095 [0,1,0,0,0,0|2,0,1]=4 1630 B17R0.8809 CCCCCCCCCN(C)CCCCCCF 269982a_100000232482_100015922095 [0,1,0,0,0,0|2,0,1]=4 1631 B17R0.8809 CCCCCCCCNC(C)CCCCCCC 2230a_100000229939_200011218727 [0,1,0,0,0,0|2,0,1]=4 1632 B17R0.8809 CCCCCCCCNC(C)CCCCCCC 270004a_100000229939_100000210596 [0,1,0,0,0,0|2,0,1]=4 1633 B17R0.8809 CCCCCCCCNC(C)CCCCCCC 34a_100000229939_200011218727 [0,1,0,0,0,0|2,0,1]=4 1634 B17R0.12412 C#CCCCCC(=O)CCCCCCCCCC 1458a_100000210375_100010269958 [0,1,0,0,0,0|1,0,2]=4 1635 B17R0.12412 C#CCCCCC(=O)CCCCCCCCCC 1458a_100000696528_100000210319 [0,1,0,0,0,0|1,0,2]=4 1636 B17R0.12412 C#CCCCCCCCCC(=O)CCCCCC 1458a_100000029693_100000210757 [0,1,0,0,0,0|1,0,2]=4 1637 B17R0.12412 C#CCCCCCCCOC(C)CCCCCC 34a_100000054614_100011215978 [0,1,0,0,0,0|2,0,1]=4 1638 B17R0.12412 C#CCCCCCCCOC(C)CCCCCC 34a_100000210265_100153394163 [0,1,0,0,0,0|2,0,1]=4 1639 B17R0.12412 C#CCCCCCCCOC(C)CCCCCC 7a_100000054614_100011215978 [0,1,0,0,0,0|2,0,1]=4 1640 B17R0.12412 C#CCCCCCCCOC(C)CCCCCC 7a_100000210265_100153394163 [0,1,0,0,0,0|2,0,1]=4 1641 B17R0.12412 C#CCCCCCOCCC(C)CCCCCC 34a_200011024964_100012094781 [0,1,0,0,0,0|2,0,1]=4 1642 B17R0.12412 C#CCCCCCOCCC(C)CCCCCC 7a_200011024964_100012094781 [0,1,0,0,0,0|2,0,1]=4 1643 B17R0.12412 C#CCCCOC(C)CCCCCCCCCC 34a_100011215000_100000695029 [0,1,0,0,0,0|2,0,1]=4 1644 B17R0.12412 C#CCCCOC(C)CCCCCCCCCC 7a_100011215000_100011215417 [0,1,0,0,0,0|2,0,1]=4 1645 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCC 1458a_100000210375_100011215482 [0,1,0,0,0,0|1,0,1]=3 1646 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCC 1458a_100011215552_100000210319 [0,1,0,0,0,0|1,0,1]=3 1647 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215482 [0,1,0,0,0,0|2,0,1]=4 1648 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100000211349_100000210757 [0,1,0,0,0,0|1,0,1]=3 1649 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100102632555_100011933949 [0,1,0,0,0,0|1,0,1]=3 1650 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCF 1458a_100000211349_100000729378 [0,1,0,0,0,0|2,0,1]=4 1651 B17R0.12412 C=CCCCCCCCCC(=O)CSCCCC 1458a_100000191162_100011933949 [0,1,0,0,0,0|2,0,1]=4 1652 B17R0.12412 C=CCCCCCCCCN(C)CCCCCC 2230a_106256046315_100011933949 [0,1,0,0,0,0|2,0,0]=3 1653 B17R0.12412 C=CCCCCCCCCN(C)CCCCCC 269982a_106256046315_100011933949 [0,1,0,0,0,0|2,0,0]=3 1654 B17R0.12412 C=CCCCCCCCNC(C)CCCCCC 2230a_100000210919_100012355270 [0,1,0,0,0,0|2,0,0]=3 1655 B17R0.12412 C=CCCCCCCCNC(C)CCCCCC 34a_100000210919_100012355270 [0,1,0,0,0,0|2,0,0]=3 1656 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 34a_100000210265_100012355270 [0,1,0,0,0,0|2,0,0]=3 1657 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 34a_100000730831_100011215978 [0,1,0,0,0,0|2,0,0]=3 1658 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 7a_100000210265_100012355270 [0,1,0,0,0,0|2,0,0]=3 1659 B17R0.12412 C=CCCCCCCCOC(C)CCCCCC 7a_100000730831_100011215978 [0,1,0,0,0,0|2,0,0]=3 1660 B17R0.12412 C=CCCCCCOCCC(C)CCCCCC 34a_200011024964_100000700193 [0,1,0,0,0,0|2,0,0]=3 1661 B17R0.12412 C=CCCCCCOCCC(C)CCCCCC 7a_200011024964_100000700193 [0,1,0,0,0,0|2,0,0]=3 1662 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 2230a_100000207566_100011215482 [0,1,0,0,0,0|2,0,0]=3 1663 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 2230a_100012000471_100000210320 [0,1,0,0,0,0|2,0,0]=3 1664 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 269982a_100000207566_100011215482 [0,1,0,0,0,0|2,0,0]=3 1665 B17R0.12412 C=CCCCCN(C)CCCCCCCCCC 269982a_100012000471_100000210320 [0,1,0,0,0,0|2,0,0]=3 1666 B17R0.12412 C=CCCCNC(C)CCCCCCCCCC 270004a_100000700776_200011219864 [0,1,0,0,0,0|2,0,0]=3 1667 B17R0.12412 C=CCCCOC(C)CCCCCCCCCC 34a_100011215000_100000757094 [0,1,0,0,0,0|2,0,0]=3 1668 B17R0.12412 C=CCCCOC(C)CCCCCCCCCC 7a_100011215000_100000757094 [0,1,0,0,0,0|2,0,0]=3 1669 B17R0.12412 C=COCCOC(C)CCCCCCCCCC 34a_100011215000_100000039644 [0,1,0,0,0,0|3,0,0]=4 1670 B17R0.12412 C=COCCOC(C)CCCCCCCCCC 7a_100011215000_100000039644 [0,1,0,0,0,0|3,0,0]=4 1671 B17R0.12412 CCCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210757 [0,1,0,0,0,0|1,0,2]=4 1672 B17R0.12412 CCCCCCC(C)CCOCCCCCC#N 7a_200011024964_100009813376 [0,1,0,0,0,0|2,0,1]=4 1673 B17R0.12412 CCCCCCC(C)CCOCCCCCCF 34a_200011024964_100015922095 [0,1,0,0,0,0|2,0,1]=4 1674 B17R0.12412 CCCCCCC(C)CCOCCCCCCF 7a_200011024964_100015922095 [0,1,0,0,0,0|2,0,1]=4 1675 B17R0.12412 CCCCCCC(C)OCCCCCCCCCl 34a_100000033203_100011215978 [0,1,0,0,0,0|2,0,1]=4 1676 B17R0.12412 CCCCCCC(C)OCCCCCCCCCl 7a_100000033203_100011215978 [0,1,0,0,0,0|2,0,1]=4 1677 B17R0.12412 CCCCCCC(C)SCCCCCCCCO 62a_100000033203_100011215978 [0,1,0,0,0,0|1,0,2]=4 1678 B17R0.12412 CCCCCCC(C)SCCCCCCCCO 62a_100011215978_100000033203 [0,1,0,0,0,0|1,0,2]=4 1679 B17R0.12412 CCCCCCCCCCC(=O)CCCCC#N 1458a_100000210375_100000211819 [0,1,0,0,0,0|1,0,2]=4 1680 B17R0.12412 CCCCCCCCCCC(=O)CCCCCF 1458a_100000210375_100000729378 [0,1,0,0,0,0|1,0,2]=4 1681 B17R0.12412 CCCCCCCCCCC(C)NCCCCC 270004a_100000209983_200011219864 [0,1,0,0,0,0|2,0,1]=4 1682 B17R0.12412 CCCCCCCCCCC(C)NCCCSC 270004a_100000749238_200011219864 [0,1,0,0,0,0|3,0,0]=4 1683 B17R0.12412 CCCCCCCCCCC(C)OCCCC#N 7a_100011215000_100000687738 [0,1,0,0,0,0|2,0,1]=4 1684 B17R0.12412 CCCCCCCCCCC(C)OCCCCF 34a_100011215000_100000729493 [0,1,0,0,0,0|2,0,1]=4 1685 B17R0.12412 CCCCCCCCCCC(C)OCCCCF 7a_100011215000_100000729493 [0,1,0,0,0,0|2,0,1]=4 1686 B17R0.12412 CCCCCCCCCCN(C)CCCCCC 2230a_100000207566_100000210314 [0,1,0,0,0,0|2,0,1]=4 1687 B17R0.12412 CCCCCCCCCCN(C)CCCCCC 2230a_106256046315_100000210320 [0,1,0,0,0,0|2,0,1]=4 1688 B17R0.12412 CCCCCCCCCCN(C)CCCCCC 269982a_100000207566_100000210757 [0,1,0,0,0,0|2,0,1]=4 1689 B17R0.12412 CCCCCCCCCCN(C)CCCCCC 269982a_106256046315_100000210320 [0,1,0,0,0,0|2,0,1]=4 1690 B17R0.12412 CCCCCCCCCCN(C)CCCCCF 2230a_100000207566_100000729378 [0,1,0,0,0,0|2,0,1]=4 1691 B17R0.12412 CCCCCCCCCCN(C)CCCCCF 269982a_100000207566_100000729378 [0,1,0,0,0,0|2,0,1]=4 1692 B17R0.12412 CCCCCCCCCNC(C)CCCCCC 2230a_100000210919_100011214924 [0,1,0,0,0,0|2,0,1]=4 1693 B17R0.12412 CCCCCCCCCNC(C)CCCCCC 2230a_100000212291_100011215978 [0,1,0,0,0,0|2,0,1]=4 1694 B17R0.12412 CCCCCCCCCNC(C)CCCCCC 270004a_100000212291_100000210826 [0,1,0,0,0,0|2,0,1]=4 1695 B17R0.12412 CCCCCCCCCNC(C)CCCCCC 34a_100000210919_100011214924 [0,1,0,0,0,0|2,0,1]=4 1696 B17R0.12412 CCCCCCCCCNC(C)CCCCCC 34a_100000212291_100011215978 [0,1,0,0,0,0|2,0,1]=4 1697 B17R0.12412 CCCCCCCOCCC(C)CCCCCC 34a_200011024964_100000210614 [0,1,0,0,0,0|2,0,1]=4 1698 B17R0.12412 CCCCCCCOCCC(C)CCCCCC 7a_200011024964_100000210614 [0,1,0,0,0,0|2,0,1]=4 1699 B17R1.315 C=CCCCCCCOC1CCCCC1CC 34a_100000210738_100011215473 [0,0,0,1,0,0|2,0,0]=3 1700 B17R1.315 C=CCCCCCCOC1CCCCC1CC 7a_100000210738_100011215473 [0,0,0,1,0,0|2,0,0]=3 1701 B17R1.315 CCCCCCCCCN1CCCCC1CC 2230a_100000210034_100011214924 [0,0,0,1,0,0|2,0,1]=4 1702 B17R1.315 CCCCCCCCCN1CCCCC1CC 269982a_100000210034_100000210670 [0,0,0,1,0,0|2,0,1]=4 1703 B17R1.315 CCCCCCCCCN1CCCCC1CC 34a_100000210034_100011214924 [0,0,0,1,0,0|2,0,1]=4 1704 B17R1.315 CCCCCCCCOC1CCCCC1CC 34a_100000210738_100000210759 [0,0,0,1,0,0|2,0,1]=4 1705 B17R1.315 CCCCCCCCOC1CCCCC1CC 7a_100000210738_100000210759 [0,0,0,1,0,0|2,0,1]=4 1706 B17R1.1242 BrCCCCCCCCCOC1C=CCCC1 7a_100009813782_100000751183 [0,0,0,1,0,0|3,0,0]=4 1707 B17R1.1242 BrCCCCCCCCCOC1CCCCC1 34a_100009813782_100000210327 [0,0,0,1,0,0|2,0,1]=4 1708 B17R1.1242 BrCCCCCCCCCOC1CCCCC1 7a_100009813782_100000210327 [0,0,0,1,0,0|2,0,1]=4 1709 B17R1.1242 BrCCCCCCCCOCC1CCCCC1 34a_100009813846_100000211423 [0,0,0,1,0,0|2,0,1]=4 1710 B17R1.1242 BrCCCCCCCCOCC1CCCCC1 7a_100009813846_100000211423 [0,0,0,1,0,0|2,0,1]=4 1711 B17R1.1242 BrCCCCCCCOCCC1CCCCC1 34a_100000760002_100011209188 [0,0,0,1,0,0|2,0,1]=4 1712 B17R1.1242 BrCCCCCCCOCCC1CCCCC1 7a_100000760002_100011273959 [0,0,0,1,0,0|2,0,1]=4 1713 B17R1.1242 BrCCCCCCOCCCC1CCCCC1 34a_100011215345_100011713725 [0,0,0,1,0,0|2,0,1]=4 1714 B17R1.1242 BrCCCCCCOCCCC1CCCCC1 7a_100011215345_100011713725 [0,0,0,1,0,0|2,0,1]=4 1715 B17R1.1242 C#CCCCCCCCSCC1CCCCC1 62a_100000211423_100153394163 [0,0,0,1,0,0|2,0,1]=4 1716 B17R1.1242 C#CCCCCCCCSCC1CCCCC1 62a_100153394163_100000211423 [0,0,0,1,0,0|2,0,1]=4 1717 B17R1.1242 C#CCCCCCCSCCC1CCCCC1 62a_100012276617_100012355289 [0,0,0,1,0,0|2,0,1]=4 1718 B17R1.1242 C#CCCCCCCSCCC1CCCCC1 62a_100012355289_100012276617 [0,0,0,1,0,0|2,0,1]=4 1719 B17R1.1242 C#CCCCCCSCCCC1CCCCC1 62a_100011713725_100012094781 [0,0,0,1,0,0|2,0,1]=4 1720 B17R1.1242 C#CCCCCCSCCCC1CCCCC1 62a_100012094781_100011713725 [0,0,0,1,0,0|2,0,1]=4 1721 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 34a_100000210231_100011933949 [0,0,0,1,0,0|2,0,0]=3 1722 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 34a_100011215194_100000210327 [0,0,0,1,0,0|2,0,0]=3 1723 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 7a_100000210231_100011933949 [0,0,0,1,0,0|2,0,0]=3 1724 B17R1.1242 C=CCCCCCCCCOC1CCCCC1 7a_100011215194_100000210327 [0,0,0,1,0,0|2,0,0]=3 1725 B17R1.1242 C=CCCCCCCCCSC1CCCCC1 62a_100000210327_100011933949 [0,0,0,1,0,0|2,0,0]=3 1726 B17R1.1242 C=CCCCCCCCCSC1CCCCC1 62a_100011933949_100000210327 [0,0,0,1,0,0|2,0,0]=3 1727 B17R1.1242 C=CCCCCCCCCSC1CCSCC1 62a_100011933949_100000069128 [0,0,0,1,0,0|3,0,0]=4 1728 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 34a_100000212181_100012355270 [0,0,0,1,0,0|2,0,0]=3 1729 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 34a_100000730831_100000211423 [0,0,0,1,0,0|2,0,0]=3 1730 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 7a_100000212181_100012355270 [0,0,0,1,0,0|2,0,0]=3 1731 B17R1.1242 C=CCCCCCCCOCC1CCCCC1 7a_100000730831_100000211423 [0,0,0,1,0,0|2,0,0]=3 1732 B17R1.1242 C=CCCCCCCCSCC1CCCCC1 62a_100000211423_100012355270 [0,0,0,1,0,0|2,0,0]=3 1733 B17R1.1242 C=CCCCCCCCSCC1CCCCC1 62a_100012355270_100000211423 [0,0,0,1,0,0|2,0,0]=3 1734 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 34a_100011217863_100011215473 [0,0,0,1,0,0|2,0,0]=3 1735 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 34a_200011216477_100011209188 [0,0,0,1,0,0|2,0,0]=3 1736 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 7a_100011217863_100011215473 [0,0,0,1,0,0|2,0,0]=3 1737 B17R1.1242 C=CCCCCCCOCCC1CCCCC1 7a_200011216477_100011273959 [0,0,0,1,0,0|2,0,0]=3 1738 B17R1.1242 C=CCCCCCCSCCC1CCCCC1 62a_100011215473_100012355289 [0,0,0,1,0,0|2,0,0]=3 1739 B17R1.1242 C=CCCCCCCSCCC1CCCCC1 62a_100012355289_100011215473 [0,0,0,1,0,0|2,0,0]=3 1740 B17R1.1242 C=CCCCCCCSCOC1CCCCC1 62a_100011215473_100011935260 [0,0,0,1,0,0|3,0,0]=4 1741 B17R1.1242 C=CCCCCCCSCOC1CCCCC1 62a_100011935260_100011215473 [0,0,0,1,0,0|3,0,0]=4 1742 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 34a_100000198086_100000700193 [0,0,0,1,0,0|2,0,0]=3 1743 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 34a_100011216702_100011713725 [0,0,0,1,0,0|2,0,0]=3 1744 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 7a_100000198086_100000700193 [0,0,0,1,0,0|2,0,0]=3 1745 B17R1.1242 C=CCCCCCOCCCC1CCCCC1 7a_100011216702_100011713725 [0,0,0,1,0,0|2,0,0]=3 1746 B17R1.1242 C=CCCCCCSCCCC1CCCCC1 62a_100000700193_100011713725 [0,0,0,1,0,0|2,0,0]=3 1747 B17R1.1242 C=CCCCCCSCCCC1CCCCC1 62a_100011713725_100000700193 [0,0,0,1,0,0|2,0,0]=3 1748 B17R1.1242 C=CCCCCOCCCCC1CCCCC1 34a_100011215267_100011215482 [0,0,0,1,0,0|2,0,0]=3 1749 B17R1.1242 C=CCCCCOCCCCC1CCCCC1 7a_100011215267_100011215482 [0,0,0,1,0,0|2,0,0]=3 1750 B17R1.1242 CCCCCCCCCCNC1CCCCC1 2230a_100000182618_100000210320 [0,0,0,1,0,0|2,0,1]=4 1751 B17R1.1242 CCCCCCCCCCNC1CCCCC1 270004a_100000684558_100000210434 [0,0,0,1,0,0|2,0,1]=4 1752 B17R1.1242 CCCCCCCCCCNC1CCCCC1 34a_100000182618_100000210320 [0,0,0,1,0,0|2,0,1]=4 1753 B17R1.1242 CCCCCCCCCCNC1CCCCC1 34a_100000684558_100000210327 [0,0,0,1,0,0|2,0,1]=4 1754 B17R1.1242 CCCCCCCCCCOC1C=CCCC1 34a_100011215024_100000210320 [0,0,0,1,0,0|2,0,0]=3 1755 B17R1.1242 CCCCCCCCCCOC1C=CCCC1 7a_100000210711_100000751183 [0,0,0,1,0,0|2,0,0]=3 1756 B17R1.1242 CCCCCCCCCCOC1CC=CCC1 34a_100000073881_100000210320 [0,0,0,1,0,0|2,0,1]=4 1757 B17R1.1242 CCCCCCCCCCOC1CCCCC1 34a_100000210231_100000210320 [0,0,0,1,0,0|2,0,1]=4 1758 B17R1.1242 CCCCCCCCCCOC1CCCCC1 34a_100000210711_100000210327 [0,0,0,1,0,0|2,0,1]=4 1759 B17R1.1242 CCCCCCCCCCOC1CCCCC1 7a_100000210231_100000210320 [0,0,0,1,0,0|2,0,1]=4 1760 B17R1.1242 CCCCCCCCCCOC1CCCCC1 7a_100000210711_100000210327 [0,0,0,1,0,0|2,0,1]=4 1761 B17R1.1242 CCCCCCCCCCOC1CCCSC1 7a_100015962668_100000210320 [0,0,0,1,0,0|3,0,0]=4 1762 B17R1.1242 CCCCCCCCCCSC1C=CCCC1 62a_100000751183_100000210320 [0,0,0,1,0,0|2,0,0]=3 1763 B17R1.1242 CCCCCCCCCOCC1CC=CCC1 34a_100000210713_100011214924 [0,0,0,1,0,0|2,0,1]=4 1764 B17R1.1242 CCCCCCCCCOCC1CCCCC1 34a_100000210712_100000211423 [0,0,0,1,0,0|2,0,1]=4 1765 B17R1.1242 CCCCCCCCCOCC1CCCCC1 34a_100000212181_100011214924 [0,0,0,1,0,0|2,0,1]=4 1766 B17R1.1242 CCCCCCCCCOCC1CCCCC1 7a_100000210712_100000211423 [0,0,0,1,0,0|2,0,1]=4 1767 B17R1.1242 CCCCCCCCCOCC1CCCCC1 7a_100000212181_100000210328 [0,0,0,1,0,0|2,0,1]=4 1768 B17R1.1242 CCCCCCCCCSCC1CCCCO1 62a_100000211543_100000210670 [0,0,0,1,0,0|1,0,2]=4 1769 B17R1.1242 CCCCCCCCOCCC1CCCCC1 34a_100000210232_100011209188 [0,0,0,1,0,0|2,0,1]=4 1770 B17R1.1242 CCCCCCCCOCCC1CCCCC1 34a_100011217863_100000210759 [0,0,0,1,0,0|2,0,1]=4 1771 B17R1.1242 CCCCCCCCOCCC1CCCCC1 7a_100000210232_100011273959 [0,0,0,1,0,0|2,0,1]=4 1772 B17R1.1242 CCCCCCCCOCCC1CCCCC1 7a_100011217863_100000210759 [0,0,0,1,0,0|2,0,1]=4 1773 B17R1.1242 CCCCCCCOCCCC1CCCCC1 34a_100000198086_100000210614 [0,0,0,1,0,0|2,0,1]=4 1774 B17R1.1242 CCCCCCCOCCCC1CCCCC1 34a_100000210272_100011713725 [0,0,0,1,0,0|2,0,1]=4 1775 B17R1.1242 CCCCCCCOCCCC1CCCCC1 7a_100000198086_100000210614 [0,0,0,1,0,0|2,0,1]=4 1776 B17R1.1242 CCCCCCCOCCCC1CCCCC1 7a_100000210272_100011713725 [0,0,0,1,0,0|2,0,1]=4 1777 B17R1.1242 CCCCCCOCCCCC1CCCCC1 34a_100011215267_100000210314 [0,0,0,1,0,0|2,0,1]=4 1778 B17R1.1242 CCCCCCOCCCCC1CCCCC1 7a_100011215267_100000210314 [0,0,0,1,0,0|2,0,1]=4 1779 B17R1.1242 ClCCCCCCCCCOC1C=CCCC1 7a_100009868337_100000751183 [0,0,0,1,0,0|3,0,0]=4 1780 B17R1.1242 ClCCCCCCCCCOC1CCCCC1 34a_100009868337_100000210327 [0,0,0,1,0,0|2,0,1]=4 1781 B17R1.1242 ClCCCCCCCCCOC1CCCCC1 7a_100009868337_100000210327 [0,0,0,1,0,0|2,0,1]=4 1782 B17R1.1242 ClCCCCCCCCOCC1CCCCC1 34a_100000033203_100000211423 [0,0,0,1,0,0|2,0,1]=4 1783 B17R1.1242 ClCCCCCCCCOCC1CCCCC1 7a_100000033203_100000211423 [0,0,0,1,0,0|2,0,1]=4 1784 B17R1.1242 ClCCCCCCOCCCC1CCCCC1 34a_100000766143_100011713725 [0,0,0,1,0,0|2,0,1]=4 1785 B17R1.1242 ClCCCCCCOCCCC1CCCCC1 7a_100000766143_100011713725 [0,0,0,1,0,0|2,0,1]=4 1786 B17R1.1242 FCCCCCCSCCCC1CCCCC1 62a_100011713725_100015922095 [0,0,0,1,0,0|2,0,1]=4 1787 B17R1.1242 FCCCCCCSCCCC1CCCCC1 62a_100015922095_100011713725 [0,0,0,1,0,0|2,0,1]=4 1788 B17R1.1242 N#CCCCCCCSCCC1CCCCC1 62a_100009813337_100012355289 [0,0,0,1,0,0|2,0,1]=4 1789 B17R1.1242 N#CCCCCCCSCCC1CCCCC1 62a_100012355289_100009813337 [0,0,0,1,0,0|2,0,1]=4 1790 B17R1.1242 N#CCCCCCSCCCC1CCCCC1 62a_100009813376_100011713725 [0,0,0,1,0,0|2,0,1]=4 1791 B17R1.1242 N#CCCCCCSCCCC1CCCCC1 62a_100011713725_100009813376 [0,0,0,1,0,0|2,0,1]=4 1792 B17R1.1425 BrCCCCCCCCCCOC1CCCC1 34a_100009813290_100000179811 [0,0,0,1,0,0|2,0,1]=4 1793 B17R1.1425 BrCCCCCCCCCCOC1CCCC1 7a_100009813290_100000179811 [0,0,0,1,0,0|2,0,1]=4 1794 B17R1.1425 BrCCCCCCCCCOCC1CCCC1 34a_100009813782_100000740388 [0,0,0,1,0,0|2,0,1]=4 1795 B17R1.1425 BrCCCCCCCCCOCC1CCCC1 7a_100009813782_100000740388 [0,0,0,1,0,0|2,0,1]=4 1796 B17R1.1425 BrCCCCCCCCOCCC1CCCC1 34a_100009813846_100000760354 [0,0,0,1,0,0|2,0,1]=4 1797 B17R1.1425 BrCCCCCCCCOCCC1CCCC1 7a_100009813846_100000760354 [0,0,0,1,0,0|2,0,1]=4 1798 B17R1.1425 BrCCCCCCCOCCCC1CCCC1 34a_100000760002_100011713738 [0,0,0,1,0,0|2,0,1]=4 1799 B17R1.1425 BrCCCCCCCOCCCC1CCCC1 7a_100000760002_100011713738 [0,0,0,1,0,0|2,0,1]=4 1800 B17R1.1425 C#CCCCCCCCSCCC1CCCC1 62a_100000760354_100153394163 [0,0,0,1,0,0|2,0,1]=4 1801 B17R1.1425 C#CCCCCCCCSCCC1CCCC1 62a_100153394163_100000760354 [0,0,0,1,0,0|2,0,1]=4 1802 B17R1.1425 C#CCCCCCCSCCCC1CCCC1 62a_100011713738_100012276617 [0,0,0,1,0,0|2,0,1]=4 1803 B17R1.1425 C#CCCCCCCSCCCC1CCCC1 62a_100012276617_100011713738 [0,0,0,1,0,0|2,0,1]=4 1804 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 34a_100000038209_100000179811 [0,0,0,1,0,0|2,0,0]=3 1805 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 34a_100000210269_100009814027 [0,0,0,1,0,0|2,0,0]=3 1806 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 7a_100000038209_100000179811 [0,0,0,1,0,0|2,0,0]=3 1807 B17R1.1425 C=CCCCCCCCCCOC1CCCC1 7a_100000210269_100009814027 [0,0,0,1,0,0|2,0,0]=3 1808 B17R1.1425 C=CCCCCCCCCCSC1CCCC1 62a_100009814027_100000179811 [0,0,0,1,0,0|2,0,0]=3 1809 B17R1.1425 C=CCCCCCCCCCSC1CCCC1 62a_100011217020_100009814027 [0,0,0,1,0,0|2,0,0]=3 1810 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 34a_100000742336_100011933949 [0,0,0,1,0,0|2,0,0]=3 1811 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 34a_100011215194_100000740388 [0,0,0,1,0,0|2,0,0]=3 1812 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 7a_100000742336_100011933949 [0,0,0,1,0,0|2,0,0]=3 1813 B17R1.1425 C=CCCCCCCCCOCC1CCCC1 7a_100011215194_100000740388 [0,0,0,1,0,0|2,0,0]=3 1814 B17R1.1425 C=CCCCCCCCCSCC1CCCC1 62a_100000740388_100011933949 [0,0,0,1,0,0|2,0,0]=3 1815 B17R1.1425 C=CCCCCCCCCSCC1CCCC1 62a_100011933949_100000740388 [0,0,0,1,0,0|2,0,0]=3 1816 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 34a_100000730831_100000760354 [0,0,0,1,0,0|2,0,0]=3 1817 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 34a_100000749090_100012355270 [0,0,0,1,0,0|2,0,0]=3 1818 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 7a_100000730831_100000760354 [0,0,0,1,0,0|2,0,0]=3 1819 B17R1.1425 C=CCCCCCCCOCCC1CCCC1 7a_100000749090_100012355270 [0,0,0,1,0,0|2,0,0]=3 1820 B17R1.1425 C=CCCCCCCCSCCC1CCCC1 62a_100000760354_100012355270 [0,0,0,1,0,0|2,0,0]=3 1821 B17R1.1425 C=CCCCCCCCSCCC1CCCC1 62a_100012355270_100000760354 [0,0,0,1,0,0|2,0,0]=3 1822 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 34a_100011215328_100011215473 [0,0,0,1,0,0|2,0,0]=3 1823 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 34a_200011216477_100011713738 [0,0,0,1,0,0|2,0,0]=3 1824 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 7a_100011215328_100011215473 [0,0,0,1,0,0|2,0,0]=3 1825 B17R1.1425 C=CCCCCCCOCCCC1CCCC1 7a_200011216477_100011713738 [0,0,0,1,0,0|2,0,0]=3 1826 B17R1.1425 C=CCCCCCCSCCCC1CCCC1 62a_100011215473_100011713738 [0,0,0,1,0,0|2,0,0]=3 1827 B17R1.1425 C=CCCCCCCSCCCC1CCCC1 62a_100011713738_100011215473 [0,0,0,1,0,0|2,0,0]=3 1828 B17R1.1425 CCCCCCCCCCCCN1CCCC1 2230a_100000188435_100011215052 [0,0,0,1,0,0|2,0,1]=4 1829 B17R1.1425 CCCCCCCCCCCCN1CCCC1 269982a_100000188435_100000759014 [0,0,0,1,0,0|2,0,1]=4 1830 B17R1.1425 CCCCCCCCCCCCN1CCCC1 270004a_100000188435_100011218549 [0,0,0,1,0,0|2,0,1]=4 1831 B17R1.1425 CCCCCCCCCCCNC1CCCC1 2230a_100000211070_100011215454 [0,0,0,1,0,0|2,0,1]=4 1832 B17R1.1425 CCCCCCCCCCCNC1CCCC1 2230a_200011215754_100000179811 [0,0,0,1,0,0|2,0,1]=4 1833 B17R1.1425 CCCCCCCCCCCNC1CCCC1 270004a_200011215754_100000210133 [0,0,0,1,0,0|2,0,1]=4 1834 B17R1.1425 CCCCCCCCCCCNC1CCCC1 34a_100000211070_100011215454 [0,0,0,1,0,0|2,0,1]=4 1835 B17R1.1425 CCCCCCCCCCCNC1CCCC1 34a_200011215754_100000179811 [0,0,0,1,0,0|2,0,1]=4 1836 B17R1.1425 CCCCCCCCCCCOC1CCCC1 34a_100000210269_100011215454 [0,0,0,1,0,0|2,0,1]=4 1837 B17R1.1425 CCCCCCCCCCCOC1CCCC1 34a_100000210809_100000179811 [0,0,0,1,0,0|2,0,1]=4 1838 B17R1.1425 CCCCCCCCCCCOC1CCCC1 7a_100000210269_100011215454 [0,0,0,1,0,0|2,0,1]=4 1839 B17R1.1425 CCCCCCCCCCCOC1CCCC1 7a_100000210809_100000179811 [0,0,0,1,0,0|2,0,1]=4 1840 B17R1.1425 CCCCCCCCCCCOC1CCSC1 7a_100011232664_100011215454 [0,0,0,1,0,0|3,0,0]=4 1841 B17R1.1425 CCCCCCCCCCOCC1CC=CC1 34a_100000688395_100000210320 [0,0,0,1,0,0|2,0,1]=4 1842 B17R1.1425 CCCCCCCCCCOCC1CCCC1 34a_100000210711_100000740388 [0,0,0,1,0,0|2,0,1]=4 1843 B17R1.1425 CCCCCCCCCCOCC1CCCC1 34a_100000742336_100000210320 [0,0,0,1,0,0|2,0,1]=4 1844 B17R1.1425 CCCCCCCCCCOCC1CCCC1 7a_100000210711_100000740388 [0,0,0,1,0,0|2,0,1]=4 1845 B17R1.1425 CCCCCCCCCCOCC1CCCC1 7a_100000742336_100000210320 [0,0,0,1,0,0|2,0,1]=4 1846 B17R1.1425 CCCCCCCCCCSCC1CCCO1 62a_100000203698_100000210320 [0,0,0,1,0,0|1,0,2]=4 1847 B17R1.1425 CCCCCCCCCOCCC1CCCC1 34a_100000210712_100000760354 [0,0,0,1,0,0|2,0,1]=4 1848 B17R1.1425 CCCCCCCCCOCCC1CCCC1 34a_100000749090_100011214924 [0,0,0,1,0,0|2,0,1]=4 1849 B17R1.1425 CCCCCCCCCOCCC1CCCC1 7a_100000210712_100000760354 [0,0,0,1,0,0|2,0,1]=4 1850 B17R1.1425 CCCCCCCCCOCCC1CCCC1 7a_100000749090_100000210328 [0,0,0,1,0,0|2,0,1]=4 1851 B17R1.1425 CCCCCCCCOCCCC1CCCC1 34a_100000210232_100011713738 [0,0,0,1,0,0|2,0,1]=4 1852 B17R1.1425 CCCCCCCCOCCCC1CCCC1 34a_100011215328_100000210759 [0,0,0,1,0,0|2,0,1]=4 1853 B17R1.1425 CCCCCCCCOCCCC1CCCC1 7a_100000210232_100011713738 [0,0,0,1,0,0|2,0,1]=4 1854 B17R1.1425 CCCCCCCCOCCCC1CCCC1 7a_100011215328_100000210759 [0,0,0,1,0,0|2,0,1]=4 1855 B17R1.1425 ClCCCCCCCCCCOC1CCCC1 34a_200000033068_100000179811 [0,0,0,1,0,0|2,0,1]=4 1856 B17R1.1425 ClCCCCCCCCCCOC1CCCC1 7a_200000033068_100000179811 [0,0,0,1,0,0|2,0,1]=4 1857 B17R1.1425 ClCCCCCCCCCOCC1CCCC1 34a_100009868337_100000740388 [0,0,0,1,0,0|2,0,1]=4 1858 B17R1.1425 ClCCCCCCCCCOCC1CCCC1 7a_100009868337_100000740388 [0,0,0,1,0,0|2,0,1]=4 1859 B17R1.1425 ClCCCCCCCCOCCC1CCCC1 34a_100000033203_100000760354 [0,0,0,1,0,0|2,0,1]=4 1860 B17R1.1425 ClCCCCCCCCOCCC1CCCC1 7a_100000033203_100000760354 [0,0,0,1,0,0|2,0,1]=4 1861 B17R1.1425 N#CCCCCCCSCCCC1CCCC1 62a_100009813337_100011713738 [0,0,0,1,0,0|2,0,1]=4 1862 B17R1.1425 N#CCCCCCCSCCCC1CCCC1 62a_100011713738_100009813337 [0,0,0,1,0,0|2,0,1]=4 1863 B17R1.1450 C=CCCCCCCCOC1CCCCC1C 34a_100000211207_100012355270 [0,0,0,1,0,0|2,0,0]=3 1864 B17R1.1450 C=CCCCCCCCOC1CCCCC1C 7a_100000211207_100012355270 [0,0,0,1,0,0|2,0,0]=3 1865 B17R1.1450 C=CCCCCCCCOC1CCCCC1Cl 34a_100000038908_100012355270 [0,0,0,1,0,0|3,0,0]=4 1866 B17R1.1450 C=CCCCCCCCOC1CCCCC1Cl 7a_100000038908_100012355270 [0,0,0,1,0,0|3,0,0]=4 1867 B17R1.1450 C=CCCCCCCCSC1CCCCC1F 62a_100012355270_100015423560 [0,0,0,1,0,0|3,0,0]=4 1868 B17R1.1450 C=CCCCCCCCSC1CCCCC1F 62a_100015423560_100012355270 [0,0,0,1,0,0|3,0,0]=4 1869 B17R1.1450 CCCCCCCCCCN1CCCCC1C 2230a_100000211376_100000210320 [0,0,0,1,0,0|2,0,1]=4 1870 B17R1.1450 CCCCCCCCCCN1CCCCC1C 269982a_100000211376_100000210320 [0,0,0,1,0,0|2,0,1]=4 1871 B17R1.1450 CCCCCCCCCCN1CCCCC1C 34a_100000211376_100000210320 [0,0,0,1,0,0|2,0,1]=4 1872 B17R1.1450 CCCCCCCCCOC1CCCCC1C 34a_100000211207_100011214924 [0,0,0,1,0,0|2,0,1]=4 1873 B17R1.1450 CCCCCCCCCOC1CCCCC1C 7a_100000211207_100000210328 [0,0,0,1,0,0|2,0,1]=4 1874 B17R1.1450 CCCCCCCCCOC1CCCCC1Cl 34a_100000038908_100011214924 [0,0,0,1,0,0|2,0,1]=4 1875 B17R1.1450 CCCCCCCCCOC1CCCCC1Cl 7a_100000038908_100000210328 [0,0,0,1,0,0|2,0,1]=4 1876 B17R1.1450 CCCCCCCCCOC1CCCCC1F 34a_100000210712_100015423560 [0,0,0,1,0,0|2,0,1]=4 1877 B17R1.1450 CCCCCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011214924 [0,0,0,1,0,0|2,0,1]=4 1878 B17R1.1450 CCCCCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210328 [0,0,0,1,0,0|2,0,1]=4 1879 B17R1.1450 CCCCCCCCCSC1CCCCC1F 62a_100015423560_100000210670 [0,0,0,1,0,0|2,0,1]=4 1880 B17R1.1451 CCCCCCCCCCN1CCCC1CC 2230a_100000754278_100000210320 [0,0,0,1,0,0|2,0,1]=4 1881 B17R1.1451 CCCCCCCCCCN1CCCC1CC 269982a_100000754278_100000210320 [0,0,0,1,0,0|2,0,1]=4 1882 B17R1.1451 CCCCCCCCCCN1CCCC1CC 34a_100000754278_100000210320 [0,0,0,1,0,0|2,0,1]=4 1883 B17R1.5241 C=CCCCCCCCCOC1CCCC1C 34a_100011216460_100011933949 [0,0,0,1,0,0|2,0,0]=3 1884 B17R1.5241 C=CCCCCCCCCOC1CCCC1C 7a_100011216460_100011933949 [0,0,0,1,0,0|2,0,0]=3 1885 B17R1.5241 C=CCCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011933949 [0,0,0,1,0,0|3,0,0]=4 1886 B17R1.5241 CCCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215454 [0,0,0,1,0,0|2,0,1]=4 1887 B17R1.5241 CCCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215454 [0,0,0,1,0,0|2,0,1]=4 1888 B17R1.5241 CCCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215454 [0,0,0,1,0,0|2,0,1]=4 1889 B17R1.5241 CCCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011215454 [0,0,0,1,0,0|2,0,1]=4 1890 B17R1.5241 CCCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011215454 [0,0,0,1,0,0|2,0,1]=4 1891 B17R1.5241 CCCCCCCCCCOC1CCCC1C 34a_100011216460_100000210320 [0,0,0,1,0,0|2,0,1]=4 1892 B17R1.5241 CCCCCCCCCCOC1CCCC1C 7a_100011216460_100000210320 [0,0,0,1,0,0|2,0,1]=4 1893 B17R1.5241 CCCCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210320 [0,0,0,1,0,0|2,0,1]=4 1894 B17R1.5249 CCCCCCCCCCCCN1CCC1C 269982a_100000755817_100000759014 [0,0,0,1,0,0|2,0,1]=4 1895 B17R1.5249 CCCCCCCCCCCCN1CCC1C 34a_100000755817_100000759014 [0,0,0,1,0,0|2,0,1]=4 1896 B17R1.6363 C/C=C/COC1CCCCCCCCCCC1 34a_100000211378_100102629194 [0,0,0,1,0,0|2,0,1]=4 1897 B17R1.6363 C/C=C/COC1CCCCCCCCCCC1 7a_100000211378_100102629194 [0,0,0,1,0,0|2,0,1]=4 1898 B17R1.6363 C=CCCOC1CCCCCCCCCCC1 34a_100000211378_100000754431 [0,0,0,1,0,0|2,0,0]=3 1899 B17R1.6363 C=CCCOC1CCCCCCCCCCC1 7a_100000211378_100000754431 [0,0,0,1,0,0|2,0,0]=3 1900 B17R1.6363 CC=CCOC1CCCCCCCCCCC1 34a_100000211378_100000070051 [0,0,0,1,0,0|2,0,1]=4 1901 B17R1.6363 CC=CCOC1CCCCCCCCCCC1 7a_100000211378_100000070051 [0,0,0,1,0,0|2,0,1]=4 1902 B17R1.6363 CCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000210211 [0,0,0,1,0,0|2,0,1]=4 1903 B17R1.6363 CCCCNC1CCCCCCCCCCC1 270004a_100000102301_100000210130 [0,0,0,1,0,0|2,0,1]=4 1904 B17R1.6363 CCCCNC1CCCCCCCCCCC1 34a_100011194316_100000210210 [0,0,0,1,0,0|2,0,1]=4 1905 B17R1.6363 CCCCOC1CCCCCCCCCCC1 34a_100000211378_100000210210 [0,0,0,1,0,0|2,0,1]=4 1906 B17R1.6363 CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000210211 [0,0,0,1,0,0|2,0,1]=4 1907 B17R1.6363 CSCCOC1CCCCCCCCCCC1 34a_100000211378_100000212216 [0,0,0,1,0,0|3,0,0]=4 1908 B17R1.6363 CSCCOC1CCCCCCCCCCC1 7a_100000211378_100000212216 [0,0,0,1,0,0|3,0,0]=4 1909 B17R1.6363 FCCCOC1CCCCCCCCCCC1 34a_100000211378_100011934791 [0,0,0,1,0,0|2,0,1]=4 1910 B17R1.6363 FCCCOC1CCCCCCCCCCC1 7a_100000211378_100011934791 [0,0,0,1,0,0|2,0,1]=4 1911 B17R1.7891 CCCCCCCCCCCOCC1CC1C 34a_100000744939_100011215454 [0,0,0,1,0,0|2,0,1]=4 1912 B17R1.7891 CCCCCCCCCCCOCC1CC1C 7a_100000744939_100011215454 [0,0,0,1,0,0|2,0,1]=4 1913 B17R1.7892 BrCCCCCCCCCCCOC1CCC1 34a_100009812471_100000749161 [0,0,0,1,0,0|2,0,1]=4 1914 B17R1.7892 BrCCCCCCCCCCOCC1CCC1 34a_100009813290_100000763275 [0,0,0,1,0,0|2,0,1]=4 1915 B17R1.7892 BrCCCCCCCCCCOCC1CCC1 7a_100009813290_100000763275 [0,0,0,1,0,0|2,0,1]=4 1916 B17R1.7892 C=CCCCCCCCCCCOC1CCC1 34a_100000748187_100011093070 [0,0,0,1,0,0|2,0,0]=3 1917 B17R1.7892 C=CCCCCCCCCCCSC1CCC1 62a_100011093070_100000749161 [0,0,0,1,0,0|2,0,0]=3 1918 B17R1.7892 C=CCCCCCCCCCOCC1CCC1 34a_100000038209_100000763275 [0,0,0,1,0,0|2,0,0]=3 1919 B17R1.7892 C=CCCCCCCCCCOCC1CCC1 34a_100000760304_100009814027 [0,0,0,1,0,0|2,0,0]=3 1920 B17R1.7892 C=CCCCCCCCCCOCC1CCC1 7a_100000038209_100000763275 [0,0,0,1,0,0|2,0,0]=3 1921 B17R1.7892 C=CCCCCCCCCCSCC1CCC1 62a_100000763275_100009814027 [0,0,0,1,0,0|2,0,0]=3 1922 B17R1.7892 C=CCCCCCCCCCSCC1CCC1 62a_100009814027_100000763275 [0,0,0,1,0,0|2,0,0]=3 1923 B17R1.7892 CCCCCCCCCCCCCN1CCC1 269982a_100000754969_100000210684 [0,0,0,1,0,0|2,0,1]=4 1924 B17R1.7892 CCCCCCCCCCCCNC1CCC1 2230a_100000749019_100011215052 [0,0,0,1,0,0|2,0,1]=4 1925 B17R1.7892 CCCCCCCCCCCCNC1CCC1 270004a_100000210451_100000241760 [0,0,0,1,0,0|2,0,1]=4 1926 B17R1.7892 CCCCCCCCCCCCNC1CCC1 34a_100000210451_100000749161 [0,0,0,1,0,0|2,0,1]=4 1927 B17R1.7892 CCCCCCCCCCCCNC1CCC1 34a_100000749019_100000759014 [0,0,0,1,0,0|2,0,1]=4 1928 B17R1.7892 CCCCCCCCCCCCOC1CCC1 34a_100000210810_100000749161 [0,0,0,1,0,0|2,0,1]=4 1929 B17R1.7892 CCCCCCCCCCCCOC1CCC1 34a_100000748187_100000759014 [0,0,0,1,0,0|2,0,1]=4 1930 B17R1.7892 CCCCCCCCCCCCOC1CSC1 7a_100000072292_100000759014 [0,0,0,1,0,0|3,0,0]=4 1931 B17R1.7892 CCCCCCCCCCCOCC1CCC1 34a_100000210809_100000763275 [0,0,0,1,0,0|2,0,1]=4 1932 B17R1.7892 CCCCCCCCCCCOCC1CCC1 34a_100000760304_100011215454 [0,0,0,1,0,0|2,0,1]=4 1933 B17R1.7892 CCCCCCCCCCCOCC1CCC1 7a_100000210809_100000763275 [0,0,0,1,0,0|2,0,1]=4 1934 B17R1.7892 CCCCCCCCCCCSCC1CCO1 62a_100000103362_100011215454 [0,0,0,1,0,0|1,0,2]=4 1935 B17R1.7892 ClCCCCCCCCCCOCC1CCC1 34a_200000033068_100000763275 [0,0,0,1,0,0|2,0,1]=4 1936 B17R1.7892 ClCCCCCCCCCCOCC1CCC1 7a_200000033068_100000763275 [0,0,0,1,0,0|2,0,1]=4 1937 B17R1.10640 C=CCCCCCOC1CCCCC1CCC 34a_100011217265_100000700193 [0,0,0,1,0,0|2,0,0]=3 1938 B17R1.10640 C=CCCCCCOC1CCCCC1CCC 7a_100011217265_100000700193 [0,0,0,1,0,0|2,0,0]=3 1939 B17R1.10640 CCCCCCCCN1CCCCC1CCC 2230a_100000701414_100000210759 [0,0,0,1,0,0|2,0,1]=4 1940 B17R1.10640 CCCCCCCCN1CCCCC1CCC 269982a_100000701414_100000210759 [0,0,0,1,0,0|2,0,1]=4 1941 B17R1.10640 CCCCCCCCN1CCCCC1CCC 34a_100000701414_100000210759 [0,0,0,1,0,0|2,0,1]=4 1942 B17R1.10640 CCCCCCCOC1CCCCC1CCC 34a_100011217265_100000210614 [0,0,0,1,0,0|2,0,1]=4 1943 B17R1.10640 CCCCCCCOC1CCCCC1CCC 7a_100011217265_100000210614 [0,0,0,1,0,0|2,0,1]=4 1944 B17R1.10642 CCCCCCCCN1CCCCCCCC1 2230a_100000039187_100000210759 [0,0,0,1,0,0|2,0,1]=4 1945 B17R1.10642 CCCCCCCCN1CCCCCCCC1 269982a_100000039187_100000210759 [0,0,0,1,0,0|2,0,1]=4 1946 B17R1.10642 CCCCCCCCN1CCCCCCCC1 34a_100000039187_100000210759 [0,0,0,1,0,0|2,0,1]=4 1947 B17R1.10642 CCCCCCCNC1CCCCCCCC1 270004a_100000229938_100000038600 [0,0,0,1,0,0|2,0,1]=4 1948 B17R1.25275 C=CCCCCCCOC1CCCCCCC1 34a_100000210054_100011215473 [0,0,0,1,0,0|2,0,0]=3 1949 B17R1.25275 C=CCCCCCCOC1CCCCCCC1 7a_100000210054_100011215473 [0,0,0,1,0,0|2,0,0]=3 1950 B17R1.25275 C=CCCCCCOCC1CCCCCCC1 34a_100011216312_100000700193 [0,0,0,1,0,0|2,0,0]=3 1951 B17R1.25275 C=CCCCCCOCC1CCCCCCC1 7a_100011216312_100000700193 [0,0,0,1,0,0|2,0,0]=3 1952 B17R1.25275 CCCCCCCCCN1CCCCCCC1 2230a_100000211400_100011214924 [0,0,0,1,0,0|2,0,1]=4 1953 B17R1.25275 CCCCCCCCCN1CCCCCCC1 269982a_100000211400_100000210670 [0,0,0,1,0,0|2,0,1]=4 1954 B17R1.25275 CCCCCCCCCN1CCCCCCC1 34a_100000211400_100011214924 [0,0,0,1,0,0|2,0,1]=4 1955 B17R1.25275 CCCCCCCCNC1CCCCCCC1 2230a_100000211152_100000210759 [0,0,0,1,0,0|2,0,1]=4 1956 B17R1.25275 CCCCCCCCNC1CCCCCCC1 270004a_100000229939_100000210524 [0,0,0,1,0,0|2,0,1]=4 1957 B17R1.25275 CCCCCCCCNC1CCCCCCC1 34a_100000211152_100000210759 [0,0,0,1,0,0|2,0,1]=4 1958 B17R1.25275 CCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000210759 [0,0,0,1,0,0|2,0,0]=3 1959 B17R1.25275 CCCCCCCCOC1CCCCCCC1 34a_100000210054_100000210759 [0,0,0,1,0,0|2,0,1]=4 1960 B17R1.25275 CCCCCCCCOC1CCCCCCC1 7a_100000210054_100000210759 [0,0,0,1,0,0|2,0,1]=4 1961 B17R1.25275 CCCCCCCOCC1CCCCCCC1 34a_100011216312_100000210614 [0,0,0,1,0,0|2,0,1]=4 1962 B17R1.25275 CCCCCCCOCC1CCCCCCC1 7a_100011216312_100000210614 [0,0,0,1,0,0|2,0,1]=4 1963 B17R1.27002 CNC1CCCCCCCCCCCCCC1 270004a_106832991635_100000040017 [0,0,0,1,0,0|2,0,0]=3 1964 B17R1.27002 COC1CCCCCCCCCCCCCC1 34a_200000037640_200000210301 [0,0,0,1,0,0|2,0,0]=3 1965 B17R1.27002 COC1CCCCCCCCCCCCCC1 7a_200000037640_200000210301 [0,0,0,1,0,0|2,0,0]=3 1966 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 34a_200000037640_200025704644 [0,0,0,1,0,0|2,0,0]=3 1967 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 7a_200000037640_200025704644 [0,0,0,1,0,0|2,0,0]=3 1968 B17R1.29093 BrCCCCCCCCCCCCOC1CC1 34a_100009813331_100000211595 [0,0,0,1,0,0|2,0,1]=4 1969 B17R1.29093 BrCCCCCCCCCCCOCC1CC1 34a_100009812471_100000742324 [0,0,0,1,0,0|2,0,1]=4 1970 B17R1.29093 BrCCCCCCCCCCCOCC1CC1 7a_100009812471_100000742324 [0,0,0,1,0,0|2,0,1]=4 1971 B17R1.29093 BrCCCCCCCCCCOCCC1CC1 34a_100009813290_100000694398 [0,0,0,1,0,0|2,0,1]=4 1972 B17R1.29093 BrCCCCCCCCCCOCCC1CC1 7a_100009813290_100000764125 [0,0,0,1,0,0|2,0,1]=4 1973 B17R1.29093 C=CCCCCCCCCCCCSC1CC1 62a_102130925996_100000211595 [0,0,0,1,0,0|2,0,0]=3 1974 B17R1.29093 C=CCCCCCCCCCCOCC1CC1 34a_100000211283_100011093070 [0,0,0,1,0,0|2,0,0]=3 1975 B17R1.29093 C=CCCCCCCCCCCSCC1CC1 62a_100000756562_100011093070 [0,0,0,1,0,0|2,0,0]=3 1976 B17R1.29093 C=CCCCCCCCCCCSCC1CC1 62a_100011093070_100000742324 [0,0,0,1,0,0|2,0,0]=3 1977 B17R1.29093 C=CCCCCCCCCCCSCC1CS1 62a_100000031435_100011093070 [0,0,0,1,0,0|3,0,0]=4 1978 B17R1.29093 C=CCCCCCCCCCCSCC1CS1 62a_100011093070_100000031435 [0,0,0,1,0,0|3,0,0]=4 1979 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 34a_100000038209_100000694398 [0,0,0,1,0,0|2,0,0]=3 1980 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 34a_100000754188_100009814027 [0,0,0,1,0,0|2,0,0]=3 1981 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 7a_100000038209_100000764125 [0,0,0,1,0,0|2,0,0]=3 1982 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 7a_100000754188_100009814027 [0,0,0,1,0,0|2,0,0]=3 1983 B17R1.29093 C=CCCCCCCCCCSCCC1CC1 62a_100000764125_100009814027 [0,0,0,1,0,0|2,0,0]=3 1984 B17R1.29093 C=CCCCCCCCCCSCCC1CC1 62a_100009814027_100000764125 [0,0,0,1,0,0|2,0,0]=3 1985 B17R1.29093 CCCCCCCCCCCCCNC1CC1 34a_100000212008_100000210684 [0,0,0,1,0,0|2,0,1]=4 1986 B17R1.29093 CCCCCCCCCCCCCNC1CC1 34a_100011215765_100000211595 [0,0,0,1,0,0|2,0,1]=4 1987 B17R1.29093 CCCCCCCCCCCCCOC1CC1 34a_100000185773_100000211595 [0,0,0,1,0,0|2,0,1]=4 1988 B17R1.29093 CCCCCCCCCCCCOCC1CC1 34a_100000210810_100000742324 [0,0,0,1,0,0|2,0,1]=4 1989 B17R1.29093 CCCCCCCCCCCCOCC1CC1 34a_100000211283_100000759014 [0,0,0,1,0,0|2,0,1]=4 1990 B17R1.29093 CCCCCCCCCCCCOCC1CC1 7a_100000210810_100000742324 [0,0,0,1,0,0|2,0,1]=4 1991 B17R1.29093 CCCCCCCCCCCCOCC1CS1 7a_100000210810_100000031435 [0,0,0,1,0,0|1,1,1]=4 1992 B17R1.29093 CCCCCCCCCCCCSCC1CO1 62a_102125554688_100000759014 [0,0,0,1,0,0|1,0,2]=4 1993 B17R1.29093 CCCCCCCCCCCCSCC1CS1 62a_100000031435_100000759014 [0,0,0,1,0,0|1,1,1]=4 1994 B17R1.29093 CCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000759014 [0,0,0,1,0,0|1,0,2]=4 1995 B17R1.29093 CCCCCCCCCCCOCCC1CC1 34a_100000210809_100000694398 [0,0,0,1,0,0|2,0,1]=4 1996 B17R1.29093 CCCCCCCCCCCOCCC1CC1 34a_100000754188_100011215454 [0,0,0,1,0,0|2,0,1]=4 1997 B17R1.29093 CCCCCCCCCCCOCCC1CC1 7a_100000210809_100000764125 [0,0,0,1,0,0|2,0,1]=4 1998 B17R1.29093 CCCCCCCCCCCOCCC1CC1 7a_100000754188_100011215454 [0,0,0,1,0,0|2,0,1]=4 1999 B17R1.29093 CCCCCCCCCCCSCCC1CO1 62a_100000732470_100011215454 [0,0,0,1,0,0|1,0,2]=4 2000 B17R1.29093 CCCCCCCCCCSCCCC1CO1 62a_100000733510_100000210320 [0,0,0,1,0,0|1,0,2]=4 2001 B17R1.29093 ClCCCCCCCCCCOCCC1CC1 34a_200000033068_100000694398 [0,0,0,1,0,0|2,0,1]=4 2002 B17R1.29093 ClCCCCCCCCCCOCCC1CC1 7a_200000033068_100000764125 [0,0,0,1,0,0|2,0,1]=4 2003 B17R1.29199 BrCCCCCCCCOC1CCCCCC1 34a_100009813846_100011217769 [0,0,0,1,0,0|2,0,1]=4 2004 B17R1.29199 BrCCCCCCCOCC1CCCCCC1 34a_100000760002_200000696569 [0,0,0,1,0,0|2,0,1]=4 2005 B17R1.29199 BrCCCCCCCOCC1CCCCCC1 7a_100000760002_200000696569 [0,0,0,1,0,0|2,0,1]=4 2006 B17R1.29199 C#CCCCCCCCSC1CCCCCC1 62a_100011217769_100153394163 [0,0,0,1,0,0|2,0,1]=4 2007 B17R1.29199 C#CCCCCCCCSC1CCCCCC1 62a_100153394163_100011217769 [0,0,0,1,0,0|2,0,1]=4 2008 B17R1.29199 C#CCCCCCCSCC1CCCCCC1 62a_100012276617_200000696569 [0,0,0,1,0,0|2,0,1]=4 2009 B17R1.29199 C#CCCCCCCSCC1CCCCCC1 62a_200000696569_100012276617 [0,0,0,1,0,0|2,0,1]=4 2010 B17R1.29199 C=CCCCCCCCOC1CCCCCC1 34a_100000210887_100012355270 [0,0,0,1,0,0|2,0,0]=3 2011 B17R1.29199 C=CCCCCCCCOC1CCCCCC1 34a_100000730831_100011217769 [0,0,0,1,0,0|2,0,0]=3 2012 B17R1.29199 C=CCCCCCCCOC1CCCCCC1 7a_100000210887_100012355270 [0,0,0,1,0,0|2,0,0]=3 2013 B17R1.29199 C=CCCCCCCCSC1CCCCCC1 62a_100011217769_100012355270 [0,0,0,1,0,0|2,0,0]=3 2014 B17R1.29199 C=CCCCCCCCSC1CCCCCC1 62a_100012355270_100011217769 [0,0,0,1,0,0|2,0,0]=3 2015 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 34a_100000699130_100011215473 [0,0,0,1,0,0|2,0,0]=3 2016 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 34a_200011216477_200000696569 [0,0,0,1,0,0|2,0,0]=3 2017 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 7a_100000699130_100011215473 [0,0,0,1,0,0|2,0,0]=3 2018 B17R1.29199 C=CCCCCCCOCC1CCCCCC1 7a_200011216477_200000696569 [0,0,0,1,0,0|2,0,0]=3 2019 B17R1.29199 C=CCCCCCCSCC1CCCCCC1 62a_100011215473_200000696569 [0,0,0,1,0,0|2,0,0]=3 2020 B17R1.29199 C=CCCCCCCSCC1CCCCCC1 62a_200000696569_100011215473 [0,0,0,1,0,0|2,0,0]=3 2021 B17R1.29199 CCCCCCCCCCN1CCCCCC1 2230a_100000185865_100000210320 [0,0,0,1,0,0|2,0,1]=4 2022 B17R1.29199 CCCCCCCCCCN1CCCCCC1 269982a_100000185865_100000210320 [0,0,0,1,0,0|2,0,1]=4 2023 B17R1.29199 CCCCCCCCCCN1CCCCCC1 34a_100000185865_100000210320 [0,0,0,1,0,0|2,0,1]=4 2024 B17R1.29199 CCCCCCCCCNC1CCCCCC1 2230a_100000210984_100011214924 [0,0,0,1,0,0|2,0,1]=4 2025 B17R1.29199 CCCCCCCCCNC1CCCCCC1 270004a_100000212291_100000210131 [0,0,0,1,0,0|2,0,1]=4 2026 B17R1.29199 CCCCCCCCCNC1CCCCCC1 34a_100000210984_100011214924 [0,0,0,1,0,0|2,0,1]=4 2027 B17R1.29199 CCCCCCCCCNC1CCCCCC1 34a_100000212291_100011217769 [0,0,0,1,0,0|2,0,1]=4 2028 B17R1.29199 CCCCCCCCCOC1CCCCCC1 34a_100000210712_100011217769 [0,0,0,1,0,0|2,0,1]=4 2029 B17R1.29199 CCCCCCCCCOC1CCCCCC1 34a_100000210887_100011214924 [0,0,0,1,0,0|2,0,1]=4 2030 B17R1.29199 CCCCCCCCCOC1CCCCCC1 7a_100000210887_100000210328 [0,0,0,1,0,0|2,0,1]=4 2031 B17R1.29199 CCCCCCCCOCC1CCCCCC1 34a_100000210232_200000696569 [0,0,0,1,0,0|2,0,1]=4 2032 B17R1.29199 CCCCCCCCOCC1CCCCCC1 34a_100000699130_100000210759 [0,0,0,1,0,0|2,0,1]=4 2033 B17R1.29199 CCCCCCCCOCC1CCCCCC1 7a_100000210232_200000696569 [0,0,0,1,0,0|2,0,1]=4 2034 B17R1.29199 CCCCCCCCOCC1CCCCCC1 7a_100000699130_100000210759 [0,0,0,1,0,0|2,0,1]=4 2035 B17R1.29199 ClCCCCCCCCOC1CCCCCC1 34a_100000033203_100011217769 [0,0,0,1,0,0|2,0,1]=4 2036 B17R1.29199 N#CCCCCCCSCC1CCCCCC1 62a_100009813337_200000696569 [0,0,0,1,0,0|2,0,1]=4 2037 B17R1.29199 N#CCCCCCCSCC1CCCCCC1 62a_200000696569_100009813337 [0,0,0,1,0,0|2,0,1]=4 2038 B14R0.392 C=CCCCCCCCCCCCSC 62a_102130925996_200000210301 [2,0,0,0,0,0|1,0,1]=4 2039 B14R0.392 C=CCCCCCCCCCCCSC 62a_200000210301_102130925996 [2,0,0,0,0,0|1,0,1]=4 2040 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_102130925996_200025704644 [2,0,0,0,0,0|1,0,1]=4 2041 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_200025704644_102130925996 [2,0,0,0,0,0|1,0,1]=4 2042 B14R0.392 C=CCCCCCCCCCCSCC 62a_100000210202_100011093070 [2,0,0,0,0,0|1,0,1]=4 2043 B14R0.392 C=CCCCCCCCCCCSCC 62a_100011093070_100000210202 [2,0,0,0,0,0|1,0,1]=4 2044 B14R0.392 C=CCCCCCCCCCSCCC 62a_100000210303_100009814027 [2,0,0,0,0,0|1,0,1]=4 2045 B14R0.392 C=CCCCCCCCCCSCCC 62a_100009814027_100000210303 [2,0,0,0,0,0|1,0,1]=4 2046 B14R0.392 C=CCCCCCCCCSCCCC 62a_100000210211_100011933949 [2,0,0,0,0,0|1,0,1]=4 2047 B14R0.392 C=CCCCCCCCCSCCCC 62a_100011933949_100000210210 [2,0,0,0,0,0|1,0,1]=4 2048 B14R0.392 C=CCCCCCCCSCCCCC 62a_100000210326_100012355270 [2,0,0,0,0,0|1,0,1]=4 2049 B14R0.392 C=CCCCCCCCSCCCCC 62a_100012355270_100000210326 [2,0,0,0,0,0|1,0,1]=4 2050 B14R0.392 C=CCCCCCCSCCCCCC 62a_100000210314_100011215473 [2,0,0,0,0,0|1,0,1]=4 2051 B14R0.392 C=CCCCCCCSCCCCCC 62a_100011215473_100000210757 [2,0,0,0,0,0|1,0,1]=4 2052 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000210614_100000700193 [2,0,0,0,0,0|1,0,1]=4 2053 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000700193_100000210316 [2,0,0,0,0,0|1,0,1]=4 2054 B14R0.392 C=CCCCCSCCCCCCCC 62a_100000210759_100011215482 [2,0,0,0,0,0|1,0,1]=4 2055 B14R0.392 C=CCCCCSCCCCCCCC 62a_100011215482_100000210317 [2,0,0,0,0,0|1,0,1]=4 2056 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [2,0,0,0,0,0|1,0,1]=4 2057 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [2,0,0,0,0,0|1,0,1]=4 2058 B14R0.392 C=CCSCCCCCCCCCCC 62a_100000210623_100011215454 [2,0,0,0,0,0|1,0,1]=4 2059 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [2,0,0,0,0,0|1,0,0]=3 2060 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [2,0,0,0,0,0|1,0,0]=3 2061 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [2,0,0,0,0,0|1,0,0]=3 2062 B14R0.392 CCCCCCCCCCCCSCF 62a_100015361967_100000759014 [2,0,0,0,0,0|2,0,0]=4 2063 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [2,0,0,0,0,0|1,0,0]=3 2064 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [2,0,0,0,0,0|2,0,0]=4 2065 B14R0.392 CCCCCCCCCCCSCSC 62a_100011218213_100011215454 [2,0,0,0,0,0|2,0,0]=4 2066 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [2,0,0,0,0,0|1,0,0]=3 2067 B14R0.392 CCCCCCCCCCSCCCF 62a_100011934791_100000210320 [2,0,0,0,0,0|2,0,0]=4 2068 B14R0.392 CCCCCCCCCCSCCSC 62a_100000212216_100000210320 [2,0,0,0,0,0|2,0,0]=4 2069 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [2,0,0,0,0,0|1,0,0]=3 2070 B14R0.392 CCCCCCCCCSCCCCF 62a_100000729493_100000210670 [2,0,0,0,0,0|2,0,0]=4 2071 B14R0.392 CCCCCCCCCSCCSCC 62a_100000757381_100000210670 [2,0,0,0,0,0|2,0,0]=4 2072 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [2,0,0,0,0,0|1,0,0]=3 2073 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [2,0,0,0,0,0|1,0,0]=3 2074 B14R0.392 CCCCCCCCSCCCCCF 62a_100000210759_100000729378 [2,0,0,0,0,0|2,0,0]=4 2075 B14R0.392 CCCCCCCCSCCCCCF 62a_100000729378_100000210317 [2,0,0,0,0,0|2,0,0]=4 2076 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [2,0,0,0,0,0|1,0,0]=3 2077 B14R0.392 CCCCCCCSCCCCCCF 62a_100000210614_100015922095 [2,0,0,0,0,0|2,0,0]=4 2078 B14R0.392 CCCCCCCSCCCCCCF 62a_100015922095_100000210316 [2,0,0,0,0,0|2,0,0]=4 2079 B16R0.61 C=CCC(=O)CCCCCCCCCCCC 1458a_100000210193_100000759014 [1,1,0,0,0,0|0,0,2]=4 2080 B16R0.61 C=CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000210623 [1,1,0,0,0,0|0,0,2]=4 2081 B16R0.61 C=CCC(C)COCCCCCCCCCC 34a_100009832082_100000210320 [1,1,0,0,0,0|1,0,1]=4 2082 B16R0.61 C=CCC(C)COCCCCCCCCCC 7a_100009832082_100000210320 [1,1,0,0,0,0|1,0,1]=4 2083 B16R0.61 C=CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011093070 [1,1,0,0,0,0|0,0,2]=4 2084 B16R0.61 C=CCCCCCCCCCCN(C)CCC 2230a_100000747261_100011093070 [1,1,0,0,0,0|1,0,1]=4 2085 B16R0.61 C=CCCCCCCCCCCN(C)CCC 269982a_100000747261_100011093070 [1,1,0,0,0,0|1,0,1]=4 2086 B16R0.61 C=CCCCCCCCCCNC(C)CCC 2230a_100000081888_100000766640 [1,1,0,0,0,0|1,0,1]=4 2087 B16R0.61 C=CCCCCCCCCCNC(C)CCC 2230a_100000741246_100009814027 [1,1,0,0,0,0|1,0,1]=4 2088 B16R0.61 C=CCCCCCCCCCNC(C)CCC 270004a_100000081888_100000211909 [1,1,0,0,0,0|1,0,1]=4 2089 B16R0.61 C=CCCCCCCCCCNC(C)CCC 34a_100000081888_100000766640 [1,1,0,0,0,0|1,0,1]=4 2090 B16R0.61 C=CCCCCCCCCCOC(C)CCC 34a_100000038209_100000766640 [1,1,0,0,0,0|1,0,1]=4 2091 B16R0.61 C=CCCCCCCCCCOC(C)CCC 34a_100000764384_100009814027 [1,1,0,0,0,0|1,0,1]=4 2092 B16R0.61 C=CCCCCCCCCCOC(C)CCC 7a_100000038209_100000766640 [1,1,0,0,0,0|1,0,1]=4 2093 B16R0.61 C=CCCCCCCCCCOC(C)CCC 7a_100000764384_100009814027 [1,1,0,0,0,0|1,0,1]=4 2094 B16R0.61 C=CCCCCCCCCOCC(C)CCC 34a_100000688023_100011933949 [1,1,0,0,0,0|1,0,1]=4 2095 B16R0.61 C=CCCCCCCCCOCC(C)CCC 34a_100011215194_100011216630 [1,1,0,0,0,0|1,0,1]=4 2096 B16R0.61 C=CCCCCCCCCOCC(C)CCC 7a_100000688023_100011933949 [1,1,0,0,0,0|1,0,1]=4 2097 B16R0.61 C=CCCCCCCCCOCC(C)CCC 7a_100011215194_100011216630 [1,1,0,0,0,0|1,0,1]=4 2098 B16R0.61 C=CCCCCCCCOCCC(C)CCC 34a_100011217855_100012355270 [1,1,0,0,0,0|1,0,1]=4 2099 B16R0.61 C=CCCCCCCCOCCC(C)CCC 7a_100011217855_100012355270 [1,1,0,0,0,0|1,0,1]=4 2100 B16R0.61 C=CCCCCCCOCCCC(C)CCC 34a_100011713154_100011215473 [1,1,0,0,0,0|1,0,1]=4 2101 B16R0.61 C=CCCCCCCOCCCC(C)CCC 7a_100011713154_100011215473 [1,1,0,0,0,0|1,0,1]=4 2102 B16R0.61 C=CCN(C)CCCCCCCCCCCC 2230a_100000225617_100011215052 [1,1,0,0,0,0|1,0,1]=4 2103 B16R0.61 C=CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000210623 [1,1,0,0,0,0|1,0,1]=4 2104 B16R0.61 C=CCN(C)CCCCCCCCCCCC 269982a_100000225617_100000759014 [1,1,0,0,0,0|1,0,1]=4 2105 B16R0.61 C=CCN(C)CCCCCCCCCCCC 269982a_100000227908_100000210623 [1,1,0,0,0,0|1,0,1]=4 2106 B16R0.61 C=CCN(C)CCCCCCCCCCCC 270004a_100000225617_100011218549 [1,1,0,0,0,0|1,0,1]=4 2107 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCC 34a_100000731007_100011215454 [1,1,0,0,0,0|1,0,1]=4 2108 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCC 7a_100000731007_100011215454 [1,1,0,0,0,0|1,0,1]=4 2109 B16R0.61 CCCC(C)COCCCCCCCCCBr 34a_100009813782_100011216630 [1,1,0,0,0,0|2,0,0]=4 2110 B16R0.61 CCCC(C)COCCCCCCCCCBr 7a_100009813782_100011216630 [1,1,0,0,0,0|2,0,0]=4 2111 B16R0.61 CCCC(C)COCCCCCCCCCCl 34a_100009868337_100011216630 [1,1,0,0,0,0|2,0,0]=4 2112 B16R0.61 CCCC(C)COCCCCCCCCCCl 7a_100009868337_100011216630 [1,1,0,0,0,0|2,0,0]=4 2113 B16R0.61 CCCC(C)OCCCCCCCCCCBr 34a_100009813290_100000766640 [1,1,0,0,0,0|2,0,0]=4 2114 B16R0.61 CCCC(C)OCCCCCCCCCCBr 7a_100009813290_100000766640 [1,1,0,0,0,0|2,0,0]=4 2115 B16R0.61 CCCC(C)OCCCCCCCCCCCl 34a_200000033068_100000766640 [1,1,0,0,0,0|2,0,0]=4 2116 B16R0.61 CCCC(C)OCCCCCCCCCCCl 7a_200000033068_100000766640 [1,1,0,0,0,0|2,0,0]=4 2117 B16R0.61 CCCC(C)SCCCCCCCCCCO 62a_100000766640_200000033068 [1,1,0,0,0,0|1,0,1]=4 2118 B16R0.61 CCCC(C)SCCCCCCCCCCO 62a_100009813290_100000766640 [1,1,0,0,0,0|1,0,1]=4 2119 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_100000759014 [1,1,0,0,0,0|0,0,2]=4 2120 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100011215791_100000210303 [1,1,0,0,0,0|0,0,2]=4 2121 B16R0.61 CCCCCCCCCCCCC(=O)CCF 1458a_100011215791_100011217306 [1,1,0,0,0,0|1,0,1]=4 2122 B16R0.61 CCCCCCCCCCCCC(C)COC 34a_100000724949_200000210301 [1,1,0,0,0,0|1,0,1]=4 2123 B16R0.61 CCCCCCCCCCCCC(C)COC 7a_100000724949_200000210301 [1,1,0,0,0,0|1,0,1]=4 2124 B16R0.61 CCCCCCCCCCCCC(C)CO[13CH3] 34a_100000724949_200025704644 [1,1,0,0,0,0|1,0,1]=4 2125 B16R0.61 CCCCCCCCCCCCC(C)CO[13CH3] 7a_100000724949_200025704644 [1,1,0,0,0,0|1,0,1]=4 2126 B16R0.61 CCCCCCCCCCCCC(C)NCC 2230a_100015525214_200011217028 [1,1,0,0,0,0|1,0,1]=4 2127 B16R0.61 CCCCCCCCCCCCC(C)NCC 270004a_100015525214_100011219199 [1,1,0,0,0,0|1,0,1]=4 2128 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_100121572206_200011217028 [1,1,0,0,0,0|1,0,1]=4 2129 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_200011215752_100000210202 [1,1,0,0,0,0|1,0,1]=4 2130 B16R0.61 CCCCCCCCCCCCC(C)OCC 7a_200011215752_100000210202 [1,1,0,0,0,0|1,0,1]=4 2131 B16R0.61 CCCCCCCCCCCCC(C)OCF 34a_200011215752_100015361967 [1,1,0,0,0,0|2,0,0]=4 2132 B16R0.61 CCCCCCCCCCCCC(C)OCF 7a_200011215752_100015361967 [1,1,0,0,0,0|2,0,0]=4 2133 B16R0.61 CCCCCCCCCCCCN(C)CCC 2230a_100000227908_100000210303 [1,1,0,0,0,0|1,0,1]=4 2134 B16R0.61 CCCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215052 [1,1,0,0,0,0|1,0,1]=4 2135 B16R0.61 CCCCCCCCCCCCN(C)CCC 269982a_100000227908_100000210303 [1,1,0,0,0,0|1,0,1]=4 2136 B16R0.61 CCCCCCCCCCCCN(C)CCC 269982a_100000747261_100000759014 [1,1,0,0,0,0|1,0,1]=4 2137 B16R0.61 CCCCCCCCCCCCN(C)CCC 270004a_100000747261_100011218549 [1,1,0,0,0,0|1,0,1]=4 2138 B16R0.61 CCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011215454 [1,1,0,0,0,0|1,0,1]=4 2139 B16R0.61 CCCCCCCCCCCNC(C)CCC 2230a_200011215754_100000766640 [1,1,0,0,0,0|1,0,1]=4 2140 B16R0.61 CCCCCCCCCCCNC(C)CCC 270004a_200011215754_100000211909 [1,1,0,0,0,0|1,0,1]=4 2141 B16R0.61 CCCCCCCCCCCNC(C)CCC 34a_200011215754_100000766640 [1,1,0,0,0,0|1,0,1]=4 2142 B16R0.61 CCCCCCCCCCCOC(C)CCBr 34a_100012276601_100011215454 [1,1,0,0,0,0|2,0,0]=4 2143 B16R0.61 CCCCCCCCCCCOC(C)CCC 34a_100000210809_100000766640 [1,1,0,0,0,0|1,0,1]=4 2144 B16R0.61 CCCCCCCCCCCOC(C)CCC 34a_100000764384_100011215454 [1,1,0,0,0,0|1,0,1]=4 2145 B16R0.61 CCCCCCCCCCCOC(C)CCC 7a_100000210809_100000766640 [1,1,0,0,0,0|1,0,1]=4 2146 B16R0.61 CCCCCCCCCCCOC(C)CCC 7a_100000764384_100011215454 [1,1,0,0,0,0|1,0,1]=4 2147 B16R0.61 CCCCCCCCCCCSC(C)CCO 62a_100009893172_100011215454 [1,1,0,0,0,0|1,0,1]=4 2148 B16R0.61 CCCCCCCCCCNCC(C)CCC 2230a_100000684558_100011216630 [1,1,0,0,0,0|1,0,1]=4 2149 B16R0.61 CCCCCCCCCCNCC(C)CCC 270004a_100000684558_100000243154 [1,1,0,0,0,0|1,0,1]=4 2150 B16R0.61 CCCCCCCCCCNCC(C)CCC 34a_100000684558_100011216630 [1,1,0,0,0,0|1,0,1]=4 2151 B16R0.61 CCCCCCCCCCOCC(C)CCC 34a_100000210711_100011216630 [1,1,0,0,0,0|1,0,1]=4 2152 B16R0.61 CCCCCCCCCCOCC(C)CCC 34a_100000688023_100000210320 [1,1,0,0,0,0|1,0,1]=4 2153 B16R0.61 CCCCCCCCCCOCC(C)CCC 7a_100000210711_100011216630 [1,1,0,0,0,0|1,0,1]=4 2154 B16R0.61 CCCCCCCCCCOCC(C)CCC 7a_100000688023_100000210320 [1,1,0,0,0,0|1,0,1]=4 2155 B16R0.61 CCCCCCCCCOCCC(C)CCC 34a_100011217855_100011214924 [1,1,0,0,0,0|1,0,1]=4 2156 B16R0.61 CCCCCCCCCOCCC(C)CCC 7a_100011217855_100000210328 [1,1,0,0,0,0|1,0,1]=4 2157 B16R0.61 CCCCCCCCOCCCC(C)CCC 34a_100011713154_100000210759 [1,1,0,0,0,0|1,0,1]=4 2158 B16R0.61 CCCCCCCCOCCCC(C)CCC 7a_100011713154_100000210759 [1,1,0,0,0,0|1,0,1]=4 2159 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000757094 [1,1,0,0,0,0|0,0,2]=4 2160 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000766728_100000210319 [1,1,0,0,0,0|0,0,2]=4 2161 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000211349_100000210326 [1,1,0,0,0,0|0,0,2]=4 2162 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100011933949 [1,1,0,0,0,0|0,0,2]=4 2163 B16R0.68 C=CCCCCCCCCN(C)CCCCC 2230a_100000223495_100011933949 [1,1,0,0,0,0|1,0,1]=4 2164 B16R0.68 C=CCCCCCCCCN(C)CCCCC 269982a_100000223495_100011933949 [1,1,0,0,0,0|1,0,1]=4 2165 B16R0.68 C=CCCCCCCCNC(C)CCCCC 2230a_100000211957_100012355270 [1,1,0,0,0,0|1,0,1]=4 2166 B16R0.68 C=CCCCCCCCOC(C)CCCCC 34a_100000730831_200011218191 [1,1,0,0,0,0|1,0,1]=4 2167 B16R0.68 C=CCCCCCCCOC(C)CCCCC 34a_100011215632_100012355270 [1,1,0,0,0,0|1,0,1]=4 2168 B16R0.68 C=CCCCCCCCOC(C)CCCCC 7a_100000730831_200011218191 [1,1,0,0,0,0|1,0,1]=4 2169 B16R0.68 C=CCCCCCCCOC(C)CCCCC 7a_100011215632_100012355270 [1,1,0,0,0,0|1,0,1]=4 2170 B16R0.68 C=CCCCN(C)CCCCCCCCCC 2230a_100000207566_100011713584 [1,1,0,0,0,0|1,0,1]=4 2171 B16R0.68 C=CCCCN(C)CCCCCCCCCC 269982a_100000207566_100000757094 [1,1,0,0,0,0|1,0,1]=4 2172 B16R0.68 C=CCCNC(C)CCCCCCCCCC 270004a_100015191253_200011219864 [1,1,0,0,0,0|1,0,1]=4 2173 B16R0.68 C=CCCOC(C)CCCCCCCCCC 34a_100011215000_100000754431 [1,1,0,0,0,0|1,0,1]=4 2174 B16R0.68 C=CCCOC(C)CCCCCCCCCC 7a_100011215000_100000754431 [1,1,0,0,0,0|1,0,1]=4 2175 B16R0.68 CCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210326 [1,1,0,0,0,0|1,0,1]=4 2176 B16R0.68 CCCCCC(C)OCCCCCCCCBr 34a_100009813846_200011218191 [1,1,0,0,0,0|2,0,0]=4 2177 B16R0.68 CCCCCC(C)OCCCCCCCCBr 7a_100009813846_200011218191 [1,1,0,0,0,0|2,0,0]=4 2178 B16R0.68 CCCCCC(C)OCCCCCCCCCl 34a_100000033203_200011218191 [1,1,0,0,0,0|2,0,0]=4 2179 B16R0.68 CCCCCC(C)OCCCCCCCCCl 7a_100000033203_200011218191 [1,1,0,0,0,0|2,0,0]=4 2180 B16R0.68 CCCCCC(C)SCCCCCCCCO 62a_100000033203_200011218191 [1,1,0,0,0,0|1,0,1]=4 2181 B16R0.68 CCCCCC(C)SCCCCCCCCO 62a_200011218191_100000033203 [1,1,0,0,0,0|1,0,1]=4 2182 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [1,1,0,0,0,0|0,0,2]=4 2183 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [1,1,0,0,0,0|0,0,2]=4 2184 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [1,1,0,0,0,0|1,0,1]=4 2185 B16R0.68 CCCCCCCCCCC(C)NCCCC 270004a_100000102301_200011219864 [1,1,0,0,0,0|1,0,1]=4 2186 B16R0.68 CCCCCCCCCCC(C)OCCCC 34a_100011215000_100000210210 [1,1,0,0,0,0|1,0,1]=4 2187 B16R0.68 CCCCCCCCCCC(C)OCCCC 7a_100011215000_100000210211 [1,1,0,0,0,0|1,0,1]=4 2188 B16R0.68 CCCCCCCCCCC(C)OCCCF 34a_100011215000_100011934791 [1,1,0,0,0,0|2,0,0]=4 2189 B16R0.68 CCCCCCCCCCC(C)OCCCF 7a_100011215000_100011934791 [1,1,0,0,0,0|2,0,0]=4 2190 B16R0.68 CCCCCCCCCCN(C)CCCCC 2230a_100000207566_100000210326 [1,1,0,0,0,0|1,0,1]=4 2191 B16R0.68 CCCCCCCCCCN(C)CCCCC 2230a_100000223495_100000210320 [1,1,0,0,0,0|1,0,1]=4 2192 B16R0.68 CCCCCCCCCCN(C)CCCCC 269982a_100000207566_100000210215 [1,1,0,0,0,0|1,0,1]=4 2193 B16R0.68 CCCCCCCCCCN(C)CCCCC 269982a_100000223495_100000210320 [1,1,0,0,0,0|1,0,1]=4 2194 B16R0.68 CCCCCCCCCNC(C)CCCCC 2230a_100000211957_100011214924 [1,1,0,0,0,0|1,0,1]=4 2195 B16R0.68 CCCCCCCCCNC(C)CCCCC 2230a_100000212291_200011218191 [1,1,0,0,0,0|1,0,1]=4 2196 B16R0.68 CCCCCCCCCNC(C)CCCCC 270004a_100000212291_100000211708 [1,1,0,0,0,0|1,0,1]=4 2197 B16R0.68 CCCCCCCCCNC(C)CCCCC 34a_100000212291_200011218191 [1,1,0,0,0,0|1,0,1]=4 2198 B16R0.68 CCCCCCCCCOC(C)CCCCC 34a_100000210712_200011218191 [1,1,0,0,0,0|1,0,1]=4 2199 B16R0.68 CCCCCCCCCOC(C)CCCCC 34a_100011215632_100011214924 [1,1,0,0,0,0|1,0,1]=4 2200 B16R0.68 CCCCCCCCCOC(C)CCCCC 7a_100000210712_200011218191 [1,1,0,0,0,0|1,0,1]=4 2201 B16R0.68 CCCCCCCCCOC(C)CCCCC 7a_100011215632_100000210328 [1,1,0,0,0,0|1,0,1]=4 2202 B16R0.136 C=CCCCCCC(=O)CCCCCCCC 1458a_100000210188_100000700193 [1,1,0,0,0,0|0,0,2]=4 2203 B16R0.136 C=CCCCCCC(=O)CCCCCCCC 1458a_100011934241_100000210759 [1,1,0,0,0,0|0,0,2]=4 2204 B16R0.136 C=CCCCCCCC(=O)CCCCCCC 1458a_100000211969_100011215473 [1,1,0,0,0,0|0,0,2]=4 2205 B16R0.136 C=CCCCCCCC(=O)CCCCCCC 1458a_100011809334_100000210614 [1,1,0,0,0,0|0,0,2]=4 2206 B16R0.136 C=CCCCCCCN(C)CCCCCCC 2230a_100000228206_100011215473 [1,1,0,0,0,0|1,0,1]=4 2207 B16R0.136 C=CCCCCCCN(C)CCCCCCC 269982a_100000228206_100011215473 [1,1,0,0,0,0|1,0,1]=4 2208 B16R0.136 C=CCCCCCN(C)CCCCCCCC 2230a_100000207567_100000700193 [1,1,0,0,0,0|1,0,1]=4 2209 B16R0.136 C=CCCCCCN(C)CCCCCCCC 269982a_100000207567_100000700193 [1,1,0,0,0,0|1,0,1]=4 2210 B16R0.136 C=CCCCCCOC(C)CCCCCCC 34a_100011216702_200011218727 [1,1,0,0,0,0|1,0,1]=4 2211 B16R0.136 C=CCCCCCOC(C)CCCCCCC 34a_200011215852_100000700193 [1,1,0,0,0,0|1,0,1]=4 2212 B16R0.136 C=CCCCCCOC(C)CCCCCCC 7a_100011216702_200011218727 [1,1,0,0,0,0|1,0,1]=4 2213 B16R0.136 C=CCCCCCOC(C)CCCCCCC 7a_200011215852_100000700193 [1,1,0,0,0,0|1,0,1]=4 2214 B16R0.136 C=CCCCCNC(C)CCCCCCCC 270004a_100000703577_100011216694 [1,1,0,0,0,0|1,0,1]=4 2215 B16R0.136 C=CCCCCOC(C)CCCCCCCC 34a_100000210740_100011215482 [1,1,0,0,0,0|1,0,1]=4 2216 B16R0.136 C=CCCCCOC(C)CCCCCCCC 7a_100000210740_100011215482 [1,1,0,0,0,0|1,0,1]=4 2217 B16R0.136 C=CCCCOCC(C)CCCCCCCC 34a_200012125181_100000757094 [1,1,0,0,0,0|1,0,1]=4 2218 B16R0.136 C=CCCCOCC(C)CCCCCCCC 7a_200012125181_100000757094 [1,1,0,0,0,0|1,0,1]=4 2219 B16R0.136 CCCCCCCC(C)OCCCCCCBr 34a_100011215345_200011218727 [1,1,0,0,0,0|2,0,0]=4 2220 B16R0.136 CCCCCCCC(C)OCCCCCCBr 7a_100011215345_200011218727 [1,1,0,0,0,0|2,0,0]=4 2221 B16R0.136 CCCCCCCC(C)OCCCCCCCl 34a_100000766143_200011218727 [1,1,0,0,0,0|2,0,0]=4 2222 B16R0.136 CCCCCCCC(C)OCCCCCCCl 7a_100000766143_200011218727 [1,1,0,0,0,0|2,0,0]=4 2223 B16R0.136 CCCCCCCC(C)OCCCCCCF 34a_100000732779_200011218727 [1,1,0,0,0,0|2,0,0]=4 2224 B16R0.136 CCCCCCCC(C)OCCCCCCF 34a_200011215852_100015922095 [1,1,0,0,0,0|2,0,0]=4 2225 B16R0.136 CCCCCCCC(C)OCCCCCCF 7a_100000732779_200011218727 [1,1,0,0,0,0|2,0,0]=4 2226 B16R0.136 CCCCCCCC(C)OCCCCCCF 7a_200011215852_100015922095 [1,1,0,0,0,0|2,0,0]=4 2227 B16R0.136 CCCCCCCC(C)SCCCCCC=O 62a_100000139337_200011218727 [1,1,0,0,0,0|1,0,0]=3 2228 B16R0.136 CCCCCCCC(C)SCCCCCC=O 62a_200011218727_100000139337 [1,1,0,0,0,0|1,0,0]=3 2229 B16R0.136 CCCCCCCC(C)SCCCCCCO 62a_100000766143_200011218727 [1,1,0,0,0,0|1,0,1]=4 2230 B16R0.136 CCCCCCCC(C)SCCCCCCO 62a_200011218727_100000766143 [1,1,0,0,0,0|1,0,1]=4 2231 B16R0.136 CCCCCCCCC(=O)CCCCCCC 1458a_100000210188_100000210614 [1,1,0,0,0,0|0,0,2]=4 2232 B16R0.136 CCCCCCCCC(=O)CCCCCCC 1458a_100000211969_100000210759 [1,1,0,0,0,0|0,0,2]=4 2233 B16R0.136 CCCCCCCCC(=O)CCCCCCF 1458a_100000210188_100015922095 [1,1,0,0,0,0|1,0,1]=4 2234 B16R0.136 CCCCCCCCC(C)CNCCCCC 270004a_100000209983_100011995885 [1,1,0,0,0,0|1,0,1]=4 2235 B16R0.136 CCCCCCCCC(C)COCCCCC 34a_200012125181_100000718602 [1,1,0,0,0,0|1,0,1]=4 2236 B16R0.136 CCCCCCCCC(C)COCCCCC 7a_200012125181_100000210326 [1,1,0,0,0,0|1,0,1]=4 2237 B16R0.136 CCCCCCCCC(C)COCCCCF 34a_200012125181_100000729493 [1,1,0,0,0,0|2,0,0]=4 2238 B16R0.136 CCCCCCCCC(C)COCCCCF 7a_200012125181_100000729493 [1,1,0,0,0,0|2,0,0]=4 2239 B16R0.136 CCCCCCCCC(C)NCCCCCC 270004a_100000210581_100011216694 [1,1,0,0,0,0|1,0,1]=4 2240 B16R0.136 CCCCCCCCC(C)OCCCCCC 34a_100000210740_100000210314 [1,1,0,0,0,0|1,0,1]=4 2241 B16R0.136 CCCCCCCCC(C)OCCCCCC 7a_100000210740_100000210314 [1,1,0,0,0,0|1,0,1]=4 2242 B16R0.136 CCCCCCCCC(C)OCCCCCF 34a_100000210740_100000729378 [1,1,0,0,0,0|2,0,0]=4 2243 B16R0.136 CCCCCCCCC(C)OCCCCCF 7a_100000210740_100000729378 [1,1,0,0,0,0|2,0,0]=4 2244 B16R0.136 CCCCCCCCN(C)CCCCCCC 2230a_100000207567_100000210681 [1,1,0,0,0,0|1,0,1]=4 2245 B16R0.136 CCCCCCCCN(C)CCCCCCC 2230a_100000228206_100000210759 [1,1,0,0,0,0|1,0,1]=4 2246 B16R0.136 CCCCCCCCN(C)CCCCCCC 2230a_200000271651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2247 B16R0.136 CCCCCCCCN(C)CCCCCCC 269982a_100000207567_100000210681 [1,1,0,0,0,0|1,0,1]=4 2248 B16R0.136 CCCCCCCCN(C)CCCCCCC 269982a_100000228206_100000210759 [1,1,0,0,0,0|1,0,1]=4 2249 B16R0.136 CCCCCCCCN(C)CCCCCCC 269982a_200000271651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2250 B16R0.136 CCCCCCCCN([13CH3])CCCCCCC 2230a_200000271651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2251 B16R0.136 CCCCCCCCN([13CH3])CCCCCCC 269982a_200000271651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2252 B16R0.136 CCCCCCCNC(C)CCCCCCC 2230a_100000229938_200011218727 [1,1,0,0,0,0|1,0,1]=4 2253 B16R0.136 CCCCCCCNC(C)CCCCCCC 270004a_100000229938_100000210596 [1,1,0,0,0,0|1,0,1]=4 2254 B16R0.136 CCCCCCCOC(C)CCCCCCC 34a_100000210272_200011218727 [1,1,0,0,0,0|1,0,1]=4 2255 B16R0.136 CCCCCCCOC(C)CCCCCCC 34a_200011215852_100000210614 [1,1,0,0,0,0|1,0,1]=4 2256 B16R0.136 CCCCCCCOC(C)CCCCCCC 7a_100000210272_200011218727 [1,1,0,0,0,0|1,0,1]=4 2257 B16R0.136 CCCCCCCOC(C)CCCCCCC 7a_200011215852_100000210614 [1,1,0,0,0,0|1,0,1]=4 2258 B16R0.221 C=CC(=O)CCCCCCCCCCCCC 1458a_100000185746_100000210684 [1,1,0,0,0,0|0,0,2]=4 2259 B16R0.221 C=CC(C)COCCCCCCCCCCC 34a_100011215527_100011215454 [1,1,0,0,0,0|1,0,1]=4 2260 B16R0.221 C=CC(C)COCCCCCCCCCCC 7a_100011215527_100011215454 [1,1,0,0,0,0|1,0,1]=4 2261 B16R0.221 C=CC(C)OCCCCCCCCCCCC 34a_100000695699_100000759014 [1,1,0,0,0,0|1,0,1]=4 2262 B16R0.221 C=CCCCCCCCCCCCC(=O)CC 1458a_100000210414_102130925996 [1,1,0,0,0,0|0,0,2]=4 2263 B16R0.221 C=CCCCCCCCCCCCN(C)CC 2230a_100000225621_102130925996 [1,1,0,0,0,0|1,0,1]=4 2264 B16R0.221 C=CCCCCCCCCCCCN(C)CC 269982a_100000225621_102130925996 [1,1,0,0,0,0|1,0,1]=4 2265 B16R0.221 C=CCCCCCCCCCCNC(C)CC 2230a_100000209981_100011093070 [1,1,0,0,0,0|1,0,1]=4 2266 B16R0.221 C=CCCCCCCCCCCOC(C)CC 7a_100000210228_100011093070 [1,1,0,0,0,0|1,0,1]=4 2267 B16R0.221 C=CCCCCCCCCCOCC(C)CC 34a_100000038209_100000748023 [1,1,0,0,0,0|1,0,1]=4 2268 B16R0.221 C=CCCCCCCCCCOCC(C)CC 7a_100000038209_100000748023 [1,1,0,0,0,0|1,0,1]=4 2269 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 34a_100000038209_100009816398 [1,1,0,0,0,0|1,0,1]=4 2270 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 7a_100000038209_100009816398 [1,1,0,0,0,0|1,0,1]=4 2271 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100009814027 [1,1,0,0,0,0|1,0,1]=4 2272 B16R0.221 C=CCCCCCCCCOCCC(C)CC 7a_100011215188_100011933949 [1,1,0,0,0,0|1,0,1]=4 2273 B16R0.221 C=CCCCCCCCOCCCC(C)CC 7a_100011216074_100012355270 [1,1,0,0,0,0|1,0,1]=4 2274 B16R0.221 C=CCCCCCOCCCCCC(C)CC 7a_200000035636_100000700193 [1,1,0,0,0,0|1,0,1]=4 2275 B16R0.221 CCC(C)CCCCCOCCCCCCF 7a_200000035636_100015922095 [1,1,0,0,0,0|2,0,0]=4 2276 B16R0.221 CCC(C)COCCCCCCCCCCBr 34a_100009813290_100000748023 [1,1,0,0,0,0|2,0,0]=4 2277 B16R0.221 CCC(C)COCCCCCCCCCCBr 7a_100009813290_100000748023 [1,1,0,0,0,0|2,0,0]=4 2278 B16R0.221 CCC(C)COCCCCCCCCCCCl 34a_200000033068_100000748023 [1,1,0,0,0,0|2,0,0]=4 2279 B16R0.221 CCC(C)COCCCCCCCCCCCl 7a_200000033068_100000748023 [1,1,0,0,0,0|2,0,0]=4 2280 B16R0.221 CCC(C)OCCCCCCCCCCCBr 34a_100009812471_100011215416 [1,1,0,0,0,0|2,0,0]=4 2281 B16R0.221 CCC(C)OCCCCCCCCCCCBr 7a_100009812471_100000758301 [1,1,0,0,0,0|2,0,0]=4 2282 B16R0.221 CCC(C)SCCCCCCCCCCCO 62a_100009812471_100000758301 [1,1,0,0,0,0|1,0,1]=4 2283 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000210684 [1,1,0,0,0,0|0,0,2]=4 2284 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000756256_100000210202 [1,1,0,0,0,0|0,0,2]=4 2285 B16R0.221 CCCCCCCCCCCCCC(=O)CF 1458a_100000756256_100015361967 [1,1,0,0,0,0|1,0,1]=4 2286 B16R0.221 CCCCCCCCCCCCCC(C)NC 270004a_106832991635_100011216122 [1,1,0,0,0,0|1,0,1]=4 2287 B16R0.221 CCCCCCCCCCCCCN(C)CC 2230a_100000225621_100000210684 [1,1,0,0,0,0|1,0,1]=4 2288 B16R0.221 CCCCCCCCCCCCCN(C)CC 269982a_100000225621_100000210684 [1,1,0,0,0,0|1,0,1]=4 2289 B16R0.221 CCCCCCCCCCCCNC(C)CC 2230a_100000209981_100011215052 [1,1,0,0,0,0|1,0,1]=4 2290 B16R0.221 CCCCCCCCCCCCNC(C)CC 2230a_100000210451_100000758301 [1,1,0,0,0,0|1,0,1]=4 2291 B16R0.221 CCCCCCCCCCCCNC(C)CC 270004a_100000209981_100011218549 [1,1,0,0,0,0|1,0,1]=4 2292 B16R0.221 CCCCCCCCCCCCNC(C)CC 34a_100000210451_100011215416 [1,1,0,0,0,0|1,0,1]=4 2293 B16R0.221 CCCCCCCCCCCCOC(C)CC 34a_100000210810_100011215416 [1,1,0,0,0,0|1,0,1]=4 2294 B16R0.221 CCCCCCCCCCCCOC(C)CC 7a_100000210228_100000759014 [1,1,0,0,0,0|1,0,1]=4 2295 B16R0.221 CCCCCCCCCCCCOC(C)CC 7a_100000210810_100000758301 [1,1,0,0,0,0|1,0,1]=4 2296 B16R0.221 CCCCCCCCCCCCOC(C)CF 34a_100016041109_100000759014 [1,1,0,0,0,0|2,0,0]=4 2297 B16R0.221 CCCCCCCCCCCCOC(C)CF 7a_100016041109_100000759014 [1,1,0,0,0,0|2,0,0]=4 2298 B16R0.221 CCCCCCCCCCCCSC(C)CO 62a_100012180447_100000759014 [1,1,0,0,0,0|1,0,1]=4 2299 B16R0.221 CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000759014 [1,1,0,0,0,0|1,0,1]=4 2300 B16R0.221 CCCCCCCCCCCNCC(C)CC 2230a_100020588543_100011215454 [1,1,0,0,0,0|1,0,1]=4 2301 B16R0.221 CCCCCCCCCCCNCC(C)CC 2230a_200011215754_100000748023 [1,1,0,0,0,0|1,0,1]=4 2302 B16R0.221 CCCCCCCCCCCNCC(C)CC 270004a_200011215754_100000243153 [1,1,0,0,0,0|1,0,1]=4 2303 B16R0.221 CCCCCCCCCCCNCC(C)CC 34a_200011215754_100000748023 [1,1,0,0,0,0|1,0,1]=4 2304 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CC 2230a_200011215754_100009816398 [1,1,0,0,0,0|1,0,1]=4 2305 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CC 34a_200011215754_100009816398 [1,1,0,0,0,0|1,0,1]=4 2306 B16R0.221 CCCCCCCCCCCOCC(C)CC 34a_100000210809_100000748023 [1,1,0,0,0,0|1,0,1]=4 2307 B16R0.221 CCCCCCCCCCCOCC(C)CC 7a_100000210809_100000748023 [1,1,0,0,0,0|1,0,1]=4 2308 B16R0.221 CCCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011215454 [1,1,0,0,0,0|2,0,0]=4 2309 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CC 34a_100000210809_100009816398 [1,1,0,0,0,0|1,0,1]=4 2310 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CC 7a_100000210809_100009816398 [1,1,0,0,0,0|1,0,1]=4 2311 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215454 [1,1,0,0,0,0|1,0,1]=4 2312 B16R0.221 CCCCCCCCCCCSCC(O)CC 62a_100011218378_100011215454 [1,1,0,0,0,0|1,0,1]=4 2313 B16R0.221 CCCCCCCCCCNCCC(C)CC 2230a_100020591266_100000210320 [1,1,0,0,0,0|1,0,1]=4 2314 B16R0.221 CCCCCCCCCCOCCC(C)CC 7a_100011215188_100000210320 [1,1,0,0,0,0|1,0,1]=4 2315 B16R0.221 CCCCCCCCCOCCCC(C)CC 7a_100011216074_100000210328 [1,1,0,0,0,0|1,0,1]=4 2316 B16R0.221 CCCCCCCOCCCCCC(C)CC 7a_200000035636_100000210614 [1,1,0,0,0,0|1,0,1]=4 2317 B16R0.221 CC[C@H](C)COCCCCCCCCCCBr 34a_100009813290_100009816398 [1,1,0,0,0,0|2,0,0]=4 2318 B16R0.221 CC[C@H](C)COCCCCCCCCCCBr 7a_100009813290_100009816398 [1,1,0,0,0,0|2,0,0]=4 2319 B16R0.221 CC[C@H](C)COCCCCCCCCCCCl 34a_200000033068_100009816398 [1,1,0,0,0,0|2,0,0]=4 2320 B16R0.221 CC[C@H](C)COCCCCCCCCCCCl 7a_200000033068_100009816398 [1,1,0,0,0,0|2,0,0]=4 2321 B16R0.274 C=C(Br)CCOCCCCCCCCCCC 34a_100009813270_100011215454 [1,1,0,0,0,0|1,0,1]=4 2322 B16R0.274 C=C(C)CCNCCCCCCCCCCC 2230a_200011215754_100000730704 [1,1,0,0,0,0|1,0,1]=4 2323 B16R0.274 C=C(C)CCNCCCCCCCCCCC 34a_200011215754_100000730704 [1,1,0,0,0,0|1,0,1]=4 2324 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000210809_100000730704 [1,1,0,0,0,0|1,0,1]=4 2325 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000764851_100011215454 [1,1,0,0,0,0|1,0,1]=4 2326 B16R0.274 C=C(C)CCOCCCCCCCCCCC 7a_100000210809_100000730704 [1,1,0,0,0,0|1,0,1]=4 2327 B16R0.274 C=C(C)CNCCCCCCCCCCCC 2230a_100000210451_100000748629 [1,1,0,0,0,0|1,0,1]=4 2328 B16R0.274 C=C(C)CNCCCCCCCCCCCC 34a_100000210451_100000748629 [1,1,0,0,0,0|1,0,1]=4 2329 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210245_100000759014 [1,1,0,0,0,0|1,0,1]=4 2330 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210810_100000748629 [1,1,0,0,0,0|1,0,1]=4 2331 B16R0.274 C=C(C)COCCCCCCCCCCCC 7a_100000210810_100000748629 [1,1,0,0,0,0|1,0,1]=4 2332 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_100000210810_100009893438 [1,1,0,0,0,0|1,0,1]=4 2333 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_200010262243_100000759014 [1,1,0,0,0,0|1,0,1]=4 2334 B16R0.274 C=C(F)COCCCCCCCCCCCC 7a_100000210810_100000042424 [1,1,0,0,0,0|1,0,1]=4 2335 B16R0.274 C=CCCCCCCCCCCCNC(C)C 2230a_100138425928_102130925996 [1,1,0,0,0,0|1,0,1]=4 2336 B16R0.274 C=CCCCCCCCCCCCNC(C)C 34a_100138425928_102130925996 [1,1,0,0,0,0|1,0,1]=4 2337 B16R0.274 C=CCCCCCCCCCCCOC(C)C 34a_100000212225_102130925996 [1,1,0,0,0,0|1,0,1]=4 2338 B16R0.274 C=CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011093070 [1,1,0,0,0,0|1,0,1]=4 2339 B16R0.274 C=CCCCCCCCCCCOCC(C)C 34a_100000210257_100011093070 [1,1,0,0,0,0|1,0,1]=4 2340 B16R0.274 C=CCCCCCCCCCCOCC(C)F 34a_100015925927_100011093070 [1,1,0,0,0,0|1,0,1]=4 2341 B16R0.274 C=CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011093070 [1,1,0,0,0,0|1,0,1]=4 2342 B16R0.274 C=CCCCCCCCCCOCCC(C)Br 34a_100009893172_100009814027 [1,1,0,0,0,0|1,0,1]=4 2343 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000038209_100000210312 [1,1,0,0,0,0|1,0,1]=4 2344 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000210254_100009814027 [1,1,0,0,0,0|1,0,1]=4 2345 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000038209_100000210626 [1,1,0,0,0,0|1,0,1]=4 2346 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000210254_100009814027 [1,1,0,0,0,0|1,0,1]=4 2347 B16R0.274 C=CCCCCCCCCOCCCC(C)C 34a_100000210774_100011933949 [1,1,0,0,0,0|1,0,1]=4 2348 B16R0.274 C=CCCCCCCCCOCCCC(C)C 34a_100011215194_100011214892 [1,1,0,0,0,0|1,0,1]=4 2349 B16R0.274 C=CCCCCCCCCOCCCC(C)C 7a_100000210774_100011933949 [1,1,0,0,0,0|1,0,1]=4 2350 B16R0.274 C=CCCCCCCCCOCCCC(C)C 7a_100011215194_100011214892 [1,1,0,0,0,0|1,0,1]=4 2351 B16R0.274 C=CCCCCCCCOCCCCC(C)C 34a_100000730831_100011216152 [1,1,0,0,0,0|1,0,1]=4 2352 B16R0.274 C=CCCCCCCCOCCCCC(C)C 34a_100011214890_100012355270 [1,1,0,0,0,0|1,0,1]=4 2353 B16R0.274 C=CCCCCCCCOCCCCC(C)C 7a_100000730831_100011216152 [1,1,0,0,0,0|1,0,1]=4 2354 B16R0.274 C=CCCCCCCCOCCCCC(C)C 7a_100011214890_100012355270 [1,1,0,0,0,0|1,0,1]=4 2355 B16R0.274 C=CCCCCCCOCCCCCC(C)C 34a_100011995859_100011215473 [1,1,0,0,0,0|1,0,1]=4 2356 B16R0.274 C=CCCCCCCOCCCCCC(C)C 34a_200011216477_100000210682 [1,1,0,0,0,0|1,0,1]=4 2357 B16R0.274 C=CCCCCCCOCCCCCC(C)C 7a_100011995859_100011215473 [1,1,0,0,0,0|1,0,1]=4 2358 B16R0.274 C=CCCCCCCOCCCCCC(C)C 7a_200011216477_100000210682 [1,1,0,0,0,0|1,0,1]=4 2359 B16R0.274 C=CCCCCOCCCCCCCC(C)C 34a_200000210741_100011215482 [1,1,0,0,0,0|1,0,1]=4 2360 B16R0.274 C=CCCCCOCCCCCCCC(C)C 7a_200000210741_100011215482 [1,1,0,0,0,0|1,0,1]=4 2361 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_100010140907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2362 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_200025704644_100010140907 [1,1,0,0,0,0|2,0,0]=4 2363 B16R0.274 CC(C)CCCCCCCOCCCCCF 34a_200000210741_100000729378 [1,1,0,0,0,0|2,0,0]=4 2364 B16R0.274 CC(C)CCCCCCCOCCCCCF 7a_200000210741_100000729378 [1,1,0,0,0,0|2,0,0]=4 2365 B16R0.274 CC(C)CCCCCOCCCCCCCBr 34a_100000760002_100000210682 [1,1,0,0,0,0|2,0,0]=4 2366 B16R0.274 CC(C)CCCCCOCCCCCCCBr 7a_100000760002_100000210682 [1,1,0,0,0,0|2,0,0]=4 2367 B16R0.274 CC(C)CCCCOCCCCCCCCBr 34a_100009813846_100011216152 [1,1,0,0,0,0|2,0,0]=4 2368 B16R0.274 CC(C)CCCCOCCCCCCCCBr 7a_100009813846_100011216152 [1,1,0,0,0,0|2,0,0]=4 2369 B16R0.274 CC(C)CCCCOCCCCCCCCCl 34a_100000033203_100011216152 [1,1,0,0,0,0|2,0,0]=4 2370 B16R0.274 CC(C)CCCCOCCCCCCCCCl 7a_100000033203_100011216152 [1,1,0,0,0,0|2,0,0]=4 2371 B16R0.274 CC(C)CCCOCCCCCCCCCBr 34a_100009813782_100011214892 [1,1,0,0,0,0|2,0,0]=4 2372 B16R0.274 CC(C)CCCOCCCCCCCCCBr 7a_100009813782_100011214892 [1,1,0,0,0,0|2,0,0]=4 2373 B16R0.274 CC(C)CCCOCCCCCCCCCCl 34a_100009868337_100011214892 [1,1,0,0,0,0|2,0,0]=4 2374 B16R0.274 CC(C)CCCOCCCCCCCCCCl 7a_100009868337_100011214892 [1,1,0,0,0,0|2,0,0]=4 2375 B16R0.274 CC(C)CCOCCCCCCCCCCBr 34a_100009813290_100000210312 [1,1,0,0,0,0|2,0,0]=4 2376 B16R0.274 CC(C)CCOCCCCCCCCCCBr 7a_100009813290_100000210626 [1,1,0,0,0,0|2,0,0]=4 2377 B16R0.274 CC(C)CCOCCCCCCCCCCCl 34a_200000033068_100000210312 [1,1,0,0,0,0|2,0,0]=4 2378 B16R0.274 CC(C)CCOCCCCCCCCCCCl 7a_200000033068_100000210626 [1,1,0,0,0,0|2,0,0]=4 2379 B16R0.274 CC(C)COCCCCCCCCCCCBr 34a_100009812471_100000210624 [1,1,0,0,0,0|2,0,0]=4 2380 B16R0.274 CC(C)COCCCCCCCCCCCBr 7a_100009812471_100000210760 [1,1,0,0,0,0|2,0,0]=4 2381 B16R0.274 CC(C)OCCCCCCCCCCCCBr 34a_100009813331_100000210206 [1,1,0,0,0,0|2,0,0]=4 2382 B16R0.274 CC(C)OCCCCCCCCCCCCBr 7a_100009813331_100000210206 [1,1,0,0,0,0|2,0,0]=4 2383 B16R0.274 CC(C)SCCCCCCCCCCCCO 62a_100009813331_100000210206 [1,1,0,0,0,0|1,0,1]=4 2384 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [1,1,0,0,0,0|0,0,0]=2 2385 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [1,1,0,0,0,0|0,0,0]=2 2386 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [1,1,0,0,0,0|0,0,0]=2 2387 B16R0.274 CCCCCCCCCCCCCCN(C)C 2230a_100102631434_100011215471 [1,1,0,0,0,0|1,0,1]=4 2388 B16R0.274 CCCCCCCCCCCCCCN(C)C 269982a_100102631434_100011215471 [1,1,0,0,0,0|1,0,1]=4 2389 B16R0.274 CCCCCCCCCCCCCCN(C)C 270004a_100102631434_200011216147 [1,1,0,0,0,0|1,0,1]=4 2390 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100011215765_100000210206 [1,1,0,0,0,0|1,0,1]=4 2391 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100138425928_100000210684 [1,1,0,0,0,0|1,0,1]=4 2392 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100011215765_100000210206 [1,1,0,0,0,0|1,0,1]=4 2393 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100138425928_100000210684 [1,1,0,0,0,0|1,0,1]=4 2394 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000185773_100000210206 [1,1,0,0,0,0|1,0,1]=4 2395 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000212225_100000210684 [1,1,0,0,0,0|1,0,1]=4 2396 B16R0.274 CCCCCCCCCCCCCOC(C)C 7a_100000185773_100000210206 [1,1,0,0,0,0|1,0,1]=4 2397 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210451_100000210760 [1,1,0,0,0,0|1,0,1]=4 2398 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215052 [1,1,0,0,0,0|1,0,1]=4 2399 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210451_100000210432 [1,1,0,0,0,0|1,0,1]=4 2400 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210953_100011218549 [1,1,0,0,0,0|1,0,1]=4 2401 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210451_100000210624 [1,1,0,0,0,0|1,0,1]=4 2402 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210953_100000759014 [1,1,0,0,0,0|1,0,1]=4 2403 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [1,1,0,0,0,0|1,0,1]=4 2404 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [1,1,0,0,0,0|1,0,1]=4 2405 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [1,1,0,0,0,0|1,0,1]=4 2406 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [1,1,0,0,0,0|1,0,1]=4 2407 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [1,1,0,0,0,0|1,0,1]=4 2408 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000210810_100011934356 [1,1,0,0,0,0|2,0,0]=4 2409 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000743014_100000759014 [1,1,0,0,0,0|2,0,0]=4 2410 B16R0.274 CCCCCCCCCCCCOCC(F)F 7a_100000210810_100011934356 [1,1,0,0,0,0|2,0,0]=4 2411 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [1,1,0,0,0,0|1,0,1]=4 2412 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [1,1,0,0,0,0|1,0,1]=4 2413 B16R0.274 CCCCCCCCCCCCSCC(F)F 62a_100011934356_100000759014 [1,1,0,0,0,0|2,0,0]=4 2414 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [1,1,0,0,0,0|1,0,1]=4 2415 B16R0.274 CCCCCCCCCCCNCCC(C)C 2230a_200011215754_100000210312 [1,1,0,0,0,0|1,0,1]=4 2416 B16R0.274 CCCCCCCCCCCNCCC(C)C 269862a_200011215754_100000185833 [1,1,0,0,0,0|1,0,1]=4 2417 B16R0.274 CCCCCCCCCCCNCCC(C)C 34a_200011215754_100000210312 [1,1,0,0,0,0|1,0,1]=4 2418 B16R0.274 CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011215454 [1,1,0,0,0,0|1,0,1]=4 2419 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011215454 [1,1,0,0,0,0|1,0,1]=4 2420 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210809_100000210312 [1,1,0,0,0,0|1,0,1]=4 2421 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011215454 [1,1,0,0,0,0|1,0,1]=4 2422 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210809_100000210626 [1,1,0,0,0,0|1,0,1]=4 2423 B16R0.274 CCCCCCCCCCCOCCC(F)F 34a_100103093639_100011215454 [1,1,0,0,0,0|2,0,0]=4 2424 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [1,1,0,0,0,0|1,0,0]=3 2425 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [1,1,0,0,0,0|1,0,1]=4 2426 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_100000684558_100011214892 [1,1,0,0,0,0|1,0,1]=4 2427 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100000210320 [1,1,0,0,0,0|1,0,1]=4 2428 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_100000684558_100011214892 [1,1,0,0,0,0|1,0,1]=4 2429 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_200000737386_100000210320 [1,1,0,0,0,0|1,0,1]=4 2430 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210711_100011214892 [1,1,0,0,0,0|1,0,1]=4 2431 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210774_100000210320 [1,1,0,0,0,0|1,0,1]=4 2432 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210711_100011214892 [1,1,0,0,0,0|1,0,1]=4 2433 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210774_100000210320 [1,1,0,0,0,0|1,0,1]=4 2434 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [1,1,0,0,0,0|1,0,0]=3 2435 B16R0.274 CCCCCCCCCCSCCCC(C)O 62a_200000718107_100000210320 [1,1,0,0,0,0|1,0,1]=4 2436 B16R0.274 CCCCCCCCCNCCCCC(C)C 2230a_100000212291_100011216152 [1,1,0,0,0,0|1,0,1]=4 2437 B16R0.274 CCCCCCCCCNCCCCC(C)C 34a_100000212291_100011216152 [1,1,0,0,0,0|1,0,1]=4 2438 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100000210712_100011216152 [1,1,0,0,0,0|1,0,1]=4 2439 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011214924 [1,1,0,0,0,0|1,0,1]=4 2440 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100000210712_100011216152 [1,1,0,0,0,0|1,0,1]=4 2441 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210328 [1,1,0,0,0,0|1,0,1]=4 2442 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [1,1,0,0,0,0|1,0,0]=3 2443 B16R0.274 CCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210670 [1,1,0,0,0,0|2,0,0]=4 2444 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100000229939_100000210682 [1,1,0,0,0,0|1,0,1]=4 2445 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210759 [1,1,0,0,0,0|1,0,1]=4 2446 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100000229939_100000210682 [1,1,0,0,0,0|1,0,1]=4 2447 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100011290863_100000210759 [1,1,0,0,0,0|1,0,1]=4 2448 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100000210232_100000210682 [1,1,0,0,0,0|1,0,1]=4 2449 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100011995859_100000210759 [1,1,0,0,0,0|1,0,1]=4 2450 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100000210232_100000210682 [1,1,0,0,0,0|1,0,1]=4 2451 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210759 [1,1,0,0,0,0|1,0,1]=4 2452 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_100000210759_200010402107 [1,1,0,0,0,0|2,0,0]=4 2453 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210317 [1,1,0,0,0,0|2,0,0]=4 2454 B16R0.274 CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210681 [1,1,0,0,0,0|1,0,1]=4 2455 B16R0.274 CCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210614 [1,1,0,0,0,0|1,0,1]=4 2456 B16R0.274 CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210314 [1,1,0,0,0,0|1,0,1]=4 2457 B16R0.274 CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210314 [1,1,0,0,0,0|1,0,1]=4 2458 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_100010140907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2459 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_200000210301_100010140907 [1,1,0,0,0,0|2,0,0]=4 2460 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [1,1,0,0,0,0|0,0,2]=4 2461 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [1,1,0,0,0,0|0,0,2]=4 2462 B16R0.661 C=CCCC(C)NCCCCCCCCCC 270004a_100000684558_100000762624 [1,1,0,0,0,0|1,0,1]=4 2463 B16R0.661 C=CCCC(C)OCCCCCCCCCC 34a_100000765329_100000210320 [1,1,0,0,0,0|1,0,1]=4 2464 B16R0.661 C=CCCC(C)OCCCCCCCCCC 7a_100000765329_100000210320 [1,1,0,0,0,0|1,0,1]=4 2465 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [1,1,0,0,0,0|0,0,2]=4 2466 B16R0.661 C=CCCCCCCCCCN(C)CCCC 2230a_100000207549_100009814027 [1,1,0,0,0,0|1,0,1]=4 2467 B16R0.661 C=CCCCCCCCCCN(C)CCCC 269982a_100000207549_100009814027 [1,1,0,0,0,0|1,0,1]=4 2468 B16R0.661 C=CCCCCCCCCNC(C)CCCC 2230a_100000126638_100011933949 [1,1,0,0,0,0|1,0,1]=4 2469 B16R0.661 C=CCCCCCCCCOC(C)CCCC 34a_100000687866_100011933949 [1,1,0,0,0,0|1,0,1]=4 2470 B16R0.661 C=CCCCCCCCCOC(C)CCCC 34a_100011215194_200011215066 [1,1,0,0,0,0|1,0,1]=4 2471 B16R0.661 C=CCCCCCCCCOC(C)CCCC 7a_100000687866_100011933949 [1,1,0,0,0,0|1,0,1]=4 2472 B16R0.661 C=CCCCCCCCCOC(C)CCCC 7a_100011215194_200011215066 [1,1,0,0,0,0|1,0,1]=4 2473 B16R0.661 C=CCCCCCCCOCC(C)CCCC 34a_100011995851_100012355270 [1,1,0,0,0,0|1,0,1]=4 2474 B16R0.661 C=CCCCCCCCOCC(C)CCCC 7a_100011995851_100012355270 [1,1,0,0,0,0|1,0,1]=4 2475 B16R0.661 C=CCCCCOCCCCC(C)CCCC 34a_200011021034_100011215482 [1,1,0,0,0,0|1,0,1]=4 2476 B16R0.661 C=CCCCCOCCCCC(C)CCCC 7a_200011021034_100011215482 [1,1,0,0,0,0|1,0,1]=4 2477 B16R0.661 C=CCCN(C)CCCCCCCCCCC 2230a_100020639649_100011215454 [1,1,0,0,0,0|1,0,1]=4 2478 B16R0.661 C=CCCN(C)CCCCCCCCCCC 269982a_100020639649_100011215454 [1,1,0,0,0,0|1,0,1]=4 2479 B16R0.661 C=CCNC(C)CCCCCCCCCCC 270004a_100020586998_100011216755 [1,1,0,0,0,0|1,0,1]=4 2480 B16R0.661 C=CCOC(C)CCCCCCCCCCC 34a_100011217895_100015514636 [1,1,0,0,0,0|1,0,1]=4 2481 B16R0.661 C=CCOC(C)CCCCCCCCCCC 7a_100011217895_100015514636 [1,1,0,0,0,0|1,0,1]=4 2482 B16R0.661 CCCCC(C)CCCCOCCCCCF 34a_200011021034_100000729378 [1,1,0,0,0,0|2,0,0]=4 2483 B16R0.661 CCCCC(C)CCCCOCCCCCF 7a_200011021034_100000729378 [1,1,0,0,0,0|2,0,0]=4 2484 B16R0.661 CCCCC(C)OCCCCCCCCCBr 34a_100009813782_200011215066 [1,1,0,0,0,0|2,0,0]=4 2485 B16R0.661 CCCCC(C)OCCCCCCCCCBr 7a_100009813782_200011215066 [1,1,0,0,0,0|2,0,0]=4 2486 B16R0.661 CCCCC(C)OCCCCCCCCCCl 34a_100009868337_200011215066 [1,1,0,0,0,0|2,0,0]=4 2487 B16R0.661 CCCCC(C)OCCCCCCCCCCl 7a_100009868337_200011215066 [1,1,0,0,0,0|2,0,0]=4 2488 B16R0.661 CCCCC(C)SCCCCCCCCCO 62a_100009813782_200011215066 [1,1,0,0,0,0|1,0,1]=4 2489 B16R0.661 CCCCC(C)SCCCCCCCCCO 62a_200011215066_100009813782 [1,1,0,0,0,0|1,0,1]=4 2490 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [1,1,0,0,0,0|0,0,2]=4 2491 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [1,1,0,0,0,0|0,0,2]=4 2492 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [1,1,0,0,0,0|1,0,1]=4 2493 B16R0.661 CCCCCCCCCCCC(C)NCCC 270004a_100020643023_100011216755 [1,1,0,0,0,0|1,0,1]=4 2494 B16R0.661 CCCCCCCCCCCC(C)OCCC 34a_100011217895_100000210303 [1,1,0,0,0,0|1,0,1]=4 2495 B16R0.661 CCCCCCCCCCCC(C)OCCC 7a_100011217895_100000210303 [1,1,0,0,0,0|1,0,1]=4 2496 B16R0.661 CCCCCCCCCCCC(C)OCCF 34a_100011217895_100011217306 [1,1,0,0,0,0|2,0,0]=4 2497 B16R0.661 CCCCCCCCCCCC(C)OCCF 7a_100011217895_100011217306 [1,1,0,0,0,0|2,0,0]=4 2498 B16R0.661 CCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215454 [1,1,0,0,0,0|1,0,1]=4 2499 B16R0.661 CCCCCCCCCCCN(C)CCCC 269982a_100000207549_100011215454 [1,1,0,0,0,0|1,0,1]=4 2500 B16R0.661 CCCCCCCCCCNC(C)CCCC 2230a_100000126638_100000210320 [1,1,0,0,0,0|1,0,1]=4 2501 B16R0.661 CCCCCCCCCCNC(C)CCCC 2230a_100000684558_200011215066 [1,1,0,0,0,0|1,0,1]=4 2502 B16R0.661 CCCCCCCCCCNC(C)CCCC 270004a_100000684558_100000210087 [1,1,0,0,0,0|1,0,1]=4 2503 B16R0.661 CCCCCCCCCCNC(C)CCCC 34a_100000684558_200011215066 [1,1,0,0,0,0|1,0,1]=4 2504 B16R0.661 CCCCCCCCCCOC(C)CCCC 34a_100000210711_200011215066 [1,1,0,0,0,0|1,0,1]=4 2505 B16R0.661 CCCCCCCCCCOC(C)CCCC 34a_100000687866_100000210320 [1,1,0,0,0,0|1,0,1]=4 2506 B16R0.661 CCCCCCCCCCOC(C)CCCC 7a_100000210711_200011215066 [1,1,0,0,0,0|1,0,1]=4 2507 B16R0.661 CCCCCCCCCCOC(C)CCCC 7a_100000687866_100000210320 [1,1,0,0,0,0|1,0,1]=4 2508 B16R0.661 CCCCCCCCCCOC(C)CCCCl 34a_200000718107_100000210320 [1,1,0,0,0,0|2,0,0]=4 2509 B16R0.661 CCCCCCCCCCOC(C)CCCCl 7a_200000718107_100000210320 [1,1,0,0,0,0|2,0,0]=4 2510 B16R0.661 CCCCCCCCCOCC(C)CCCC 34a_100011995851_100011214924 [1,1,0,0,0,0|1,0,1]=4 2511 B16R0.661 CCCCCCCCCOCC(C)CCCC 7a_100011995851_100000210328 [1,1,0,0,0,0|1,0,1]=4 2512 B16R0.661 CCCCCCOCCCCC(C)CCCC 34a_200011021034_100000210314 [1,1,0,0,0,0|1,0,1]=4 2513 B16R0.661 CCCCCCOCCCCC(C)CCCC 7a_200011021034_100000210314 [1,1,0,0,0,0|1,0,1]=4 2514 B16R0.6603 C=CCCCCC(=O)CCCCCCCCC 1458a_100000210558_100011215482 [1,1,0,0,0,0|0,0,2]=4 2515 B16R0.6603 C=CCCCCC(=O)CCCCCCCCC 1458a_100011215552_100000210670 [1,1,0,0,0,0|0,0,2]=4 2516 B16R0.6603 C=CCCCCCCCC(=O)CCCCCC 1458a_100011216160_100000210757 [1,1,0,0,0,0|0,0,2]=4 2517 B16R0.6603 C=CCCCCCCCC(=O)CCCCCC 1458a_100102632555_100012355270 [1,1,0,0,0,0|0,0,2]=4 2518 B16R0.6603 C=CCCCCCCCN(C)CCCCCC 2230a_106256046315_100012355270 [1,1,0,0,0,0|1,0,1]=4 2519 B16R0.6603 C=CCCCCCCCN(C)CCCCCC 269982a_106256046315_100012355270 [1,1,0,0,0,0|1,0,1]=4 2520 B16R0.6603 C=CCCCCCCNC(C)CCCCCC 2230a_100000210919_100011215473 [1,1,0,0,0,0|1,0,1]=4 2521 B16R0.6603 C=CCCCCCCNC(C)CCCCCC 34a_100000210919_100011215473 [1,1,0,0,0,0|1,0,1]=4 2522 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 34a_100000210265_100011215473 [1,1,0,0,0,0|1,0,1]=4 2523 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 34a_200011216477_100011215978 [1,1,0,0,0,0|1,0,1]=4 2524 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 7a_100000210265_100011215473 [1,1,0,0,0,0|1,0,1]=4 2525 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 7a_200011216477_100011215978 [1,1,0,0,0,0|1,0,1]=4 2526 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 2230a_100000232482_100011215482 [1,1,0,0,0,0|1,0,1]=4 2527 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 2230a_100012000471_100011214924 [1,1,0,0,0,0|1,0,1]=4 2528 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 269982a_100000232482_100011215482 [1,1,0,0,0,0|1,0,1]=4 2529 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 269982a_100012000471_100000210670 [1,1,0,0,0,0|1,0,1]=4 2530 B16R0.6603 C=CCCCCOCCC(C)CCCCCC 34a_200011024964_100011215482 [1,1,0,0,0,0|1,0,1]=4 2531 B16R0.6603 C=CCCCCOCCC(C)CCCCCC 7a_200011024964_100011215482 [1,1,0,0,0,0|1,0,1]=4 2532 B16R0.6603 C=CCCCNC(C)CCCCCCCCC 270004a_100000700776_100011215753 [1,1,0,0,0,0|1,0,1]=4 2533 B16R0.6603 C=CCCCOC(C)CCCCCCCCC 34a_100011218016_100000757094 [1,1,0,0,0,0|1,0,1]=4 2534 B16R0.6603 C=CCCCOC(C)CCCCCCCCC 7a_100011218016_100000757094 [1,1,0,0,0,0|1,0,1]=4 2535 B16R0.6603 CCCCCCC(C)CCOCCCCCF 34a_200011024964_100000729378 [1,1,0,0,0,0|2,0,0]=4 2536 B16R0.6603 CCCCCCC(C)CCOCCCCCF 7a_200011024964_100000729378 [1,1,0,0,0,0|2,0,0]=4 2537 B16R0.6603 CCCCCCC(C)OCCCCCCCBr 34a_100000760002_100011215978 [1,1,0,0,0,0|2,0,0]=4 2538 B16R0.6603 CCCCCCC(C)OCCCCCCCBr 7a_100000760002_100011215978 [1,1,0,0,0,0|2,0,0]=4 2539 B16R0.6603 CCCCCCC(C)SCCCCCCCO 62a_100000760002_100011215978 [1,1,0,0,0,0|1,0,1]=4 2540 B16R0.6603 CCCCCCC(C)SCCCCCCCO 62a_100011215978_100000760002 [1,1,0,0,0,0|1,0,1]=4 2541 B16R0.6603 CCCCCCCCCC(=O)CCCCCC 1458a_100000210558_100000210757 [1,1,0,0,0,0|0,0,2]=4 2542 B16R0.6603 CCCCCCCCCC(=O)CCCCCC 1458a_100102632555_100000210670 [1,1,0,0,0,0|0,0,2]=4 2543 B16R0.6603 CCCCCCCCCC(=O)CCCCCF 1458a_100000210558_100000729378 [1,1,0,0,0,0|1,0,1]=4 2544 B16R0.6603 CCCCCCCCCC(C)CNCCCC 270004a_100000102301_200011218516 [1,1,0,0,0,0|1,0,1]=4 2545 B16R0.6603 CCCCCCCCCC(C)NCCCCC 270004a_100000209983_100011215753 [1,1,0,0,0,0|1,0,1]=4 2546 B16R0.6603 CCCCCCCCCC(C)OCCCCC 34a_100011218016_100000718602 [1,1,0,0,0,0|1,0,1]=4 2547 B16R0.6603 CCCCCCCCCC(C)OCCCCC 7a_100011218016_100000210326 [1,1,0,0,0,0|1,0,1]=4 2548 B16R0.6603 CCCCCCCCCC(C)OCCCCF 34a_100011218016_100000729493 [1,1,0,0,0,0|2,0,0]=4 2549 B16R0.6603 CCCCCCCCCC(C)OCCCCF 7a_100011218016_100000729493 [1,1,0,0,0,0|2,0,0]=4 2550 B16R0.6603 CCCCCCCCCN(C)CCCCCC 2230a_100000232482_100000210314 [1,1,0,0,0,0|1,0,1]=4 2551 B16R0.6603 CCCCCCCCCN(C)CCCCCC 2230a_106256046315_100011214924 [1,1,0,0,0,0|1,0,1]=4 2552 B16R0.6603 CCCCCCCCCN(C)CCCCCC 269982a_100000232482_100000210757 [1,1,0,0,0,0|1,0,1]=4 2553 B16R0.6603 CCCCCCCCCN(C)CCCCCC 269982a_106256046315_100000210670 [1,1,0,0,0,0|1,0,1]=4 2554 B16R0.6603 CCCCCCCCNC(C)CCCCCC 2230a_100000210919_100000210759 [1,1,0,0,0,0|1,0,1]=4 2555 B16R0.6603 CCCCCCCCNC(C)CCCCCC 2230a_100000229939_100011215978 [1,1,0,0,0,0|1,0,1]=4 2556 B16R0.6603 CCCCCCCCNC(C)CCCCCC 270004a_100000229939_100000210826 [1,1,0,0,0,0|1,0,1]=4 2557 B16R0.6603 CCCCCCCCNC(C)CCCCCC 34a_100000210919_100000210759 [1,1,0,0,0,0|1,0,1]=4 2558 B16R0.6603 CCCCCCCCNC(C)CCCCCC 34a_100000229939_100011215978 [1,1,0,0,0,0|1,0,1]=4 2559 B16R0.6603 CCCCCCCCOC(C)CCCCCC 34a_100000210232_100011215978 [1,1,0,0,0,0|1,0,1]=4 2560 B16R0.6603 CCCCCCCCOC(C)CCCCCC 34a_100000210265_100000210759 [1,1,0,0,0,0|1,0,1]=4 2561 B16R0.6603 CCCCCCCCOC(C)CCCCCC 7a_100000210232_100011215978 [1,1,0,0,0,0|1,0,1]=4 2562 B16R0.6603 CCCCCCCCOC(C)CCCCCC 7a_100000210265_100000210759 [1,1,0,0,0,0|1,0,1]=4 2563 B16R0.6603 CCCCCCOCCC(C)CCCCCC 34a_200011024964_100000210314 [1,1,0,0,0,0|1,0,1]=4 2564 B16R0.6603 CCCCCCOCCC(C)CCCCCC 7a_200011024964_100000210314 [1,1,0,0,0,0|1,0,1]=4 2565 B18R0.2 CCCCC(C)CCCCOCCCCSC(=O)C 34a_200011021034_200010402107 [0,2,0,0,0,0|2,0,0]=4 2566 B18R0.2 CCCCC(C)CCCCOCCCCSC(=O)C 7a_200011021034_200010402107 [0,2,0,0,0,0|2,0,0]=4 2567 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 34a_200012125181_100009817362 [0,2,0,0,0,0|1,0,0]=3 2568 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 7a_200012125181_100000735457 [0,2,0,0,0,0|1,0,0]=3 2569 B18R0.94 CCCCCCCCC(C)COCCCSC(=O)C 34a_200012125181_100000038929 [0,2,0,0,0,0|2,0,0]=4 2570 B18R0.94 CCCCCCCCC(C)COCCCSC(=O)C 7a_200012125181_100000038929 [0,2,0,0,0,0|2,0,0]=4 2571 B18R0.94 CCCCCCCCC(C)OCCCCSC(=O)C 34a_100000210740_200010402107 [0,2,0,0,0,0|2,0,0]=4 2572 B18R0.94 CCCCCCCCC(C)OCCCCSC(=O)C 7a_100000210740_200010402107 [0,2,0,0,0,0|2,0,0]=4 2573 B18R0.114 CCC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000210414_100010140907 [0,2,0,0,0,0|1,0,1]=4 2574 B18R0.127 CCCCCCC(C)CCOCCCCSC(=O)C 34a_200011024964_200010402107 [0,2,0,0,0,0|2,0,0]=4 2575 B18R0.127 CCCCCCC(C)CCOCCCCSC(=O)C 7a_200011024964_200010402107 [0,2,0,0,0,0|2,0,0]=4 2576 B18R0.171 C#CC(=O)CCCCCCCCCCCCCC=C 1458a_100000211873_102495333938 [0,2,0,0,0,0|0,0,2]=4 2577 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [0,2,0,0,0,0|0,0,0]=2 2578 B18R0.171 C#CC(C)NCCCCCCCCCCCCCC 2230a_100000707721_100011215471 [0,2,0,0,0,0|1,0,1]=4 2579 B18R0.171 C#CC(C)NCCCCCCCCCCCCCC 270004a_100000707721_200011216147 [0,2,0,0,0,0|1,0,1]=4 2580 B18R0.171 C#CC(C)NCCCCCCCCCCCCCC 34a_100000707721_100011215471 [0,2,0,0,0,0|1,0,1]=4 2581 B18R0.171 C#CC(C)NCCCCCCCCCCCCCC 34a_100011217771_200000035995 [0,2,0,0,0,0|1,0,1]=4 2582 B18R0.171 C#CC(C)OCCCCCCCCCCCCCC 34a_100000210739_200000035995 [0,2,0,0,0,0|1,0,1]=4 2583 B18R0.171 C#CC(O)CCCCCSCCCCCCCCC 62a_200010408556_100000210670 [0,2,0,0,0,0|1,0,1]=4 2584 B18R0.171 C#CCCCCCCCOCCCCCC(C)CC 7a_200000035636_100153394163 [0,2,0,0,0,0|1,0,1]=4 2585 B18R0.171 C#C[C@@H](C)OCCCCCCCCCCCCCC 34a_100009815206_100011215471 [0,2,0,0,0,0|1,0,1]=4 2586 B18R0.171 C#C[C@@H](C)OCCCCCCCCCCCCCC 7a_100009815206_100011215471 [0,2,0,0,0,0|1,0,1]=4 2587 B18R0.171 C=C(C#N)COCCCCCCCCCCCCC 34a_100000185773_100000694840 [0,2,0,0,0,0|2,0,0]=4 2588 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)CF 1458a_100020587579_100015361967 [0,2,0,0,0,0|0,0,2]=4 2589 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [0,2,0,0,0,0|0,0,0]=2 2590 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [0,2,0,0,0,0|0,0,0]=2 2591 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [0,2,0,0,0,0|0,0,0]=2 2592 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 11a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 2593 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 1626a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 2594 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 240690a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 2595 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 527a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 2596 B18R0.171 CCCCCCCCCCCCCCNC(C)C#N 2230a_100000737613_100011215471 [0,2,0,0,0,0|1,0,1]=4 2597 B18R0.171 CCCCCCCCCCCCCCNC(C)C#N 2230a_100011217771_100000184139 [0,2,0,0,0,0|1,0,1]=4 2598 B18R0.171 CCCCCCCCCCCCCCOC(C)C#N 34a_100011218135_100011215471 [0,2,0,0,0,0|1,0,1]=4 2599 B18R0.171 CCCCCCCCCCCCCCOC(C)C#N 7a_100000210739_100000703298 [0,2,0,0,0,0|1,0,1]=4 2600 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [0,2,0,0,0,0|1,0,0]=3 2601 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [0,2,0,0,0,0|1,0,0]=3 2602 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [0,2,0,0,0,0|1,0,0]=3 2603 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [0,2,0,0,0,0|1,0,0]=3 2604 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [0,2,0,0,0,0|1,0,0]=3 2605 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [0,2,0,0,0,0|1,0,0]=3 2606 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [0,2,0,0,0,0|1,0,0]=3 2607 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [0,2,0,0,0,0|1,0,0]=3 2608 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [0,2,0,0,0,0|1,0,0]=3 2609 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [0,2,0,0,0,0|1,0,0]=3 2610 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [0,2,0,0,0,0|1,0,0]=3 2611 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [0,2,0,0,0,0|1,0,0]=3 2612 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [0,2,0,0,0,0|1,0,0]=3 2613 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [0,2,0,0,0,0|1,0,0]=3 2614 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [0,2,0,0,0,0|1,0,0]=3 2615 B18R0.171 COC(=O)CCCCCCCCCCCCSCF 62a_100015361967_209314222159 [0,2,0,0,0,0|2,0,0]=4 2616 B18R0.171 COC(=O)CCCCCCCCCCCSCSC 62a_100011218213_100010983606 [0,2,0,0,0,0|2,0,0]=4 2617 B18R0.174 C=C(C)C(C)NCCCCCCCCCCCCC 269862a_100011215765_100011216138 [0,2,0,0,0,0|2,0,0]=4 2618 B18R0.174 C=CCCCCCCCCCCCNC(C)C(C)C 2230a_100000211541_102130925996 [0,2,0,0,0,0|2,0,0]=4 2619 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCBr 7a_100009813331_100000179758 [0,2,0,0,0,0|2,0,0]=4 2620 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210684 [0,2,0,0,0,0|1,0,0]=3 2621 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 7a_100000185773_100000179758 [0,2,0,0,0,0|1,0,0]=3 2622 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000759014 [0,2,0,0,0,0|1,0,0]=3 2623 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000759014 [0,2,0,0,0,0|1,0,0]=3 2624 B18R0.176 C#CCCCCCCCCCCOCCCC(C)C 34a_100000054667_100011214892 [0,2,0,0,0,0|1,0,1]=4 2625 B18R0.176 C#CCCCCCCCCCCOCCCC(C)C 7a_100000054667_100011214892 [0,2,0,0,0,0|1,0,1]=4 2626 B18R0.176 C#CCCCCCCCCCOCCCCC(C)C 34a_100000034437_100011216152 [0,2,0,0,0,0|1,0,1]=4 2627 B18R0.176 C#CCCCCCCCCCOCCCCC(C)C 7a_100000034437_100011216152 [0,2,0,0,0,0|1,0,1]=4 2628 B18R0.176 C#CCCCCCCCCOCCCCCC(C)C 34a_100000065265_100000210682 [0,2,0,0,0,0|1,0,1]=4 2629 B18R0.176 C#CCCCCCCCCOCCCCCC(C)C 7a_100000065265_100000210682 [0,2,0,0,0,0|1,0,1]=4 2630 B18R0.176 C#CCCCCCCCNCCCCCCC(C)C 2230a_100000211014_100153394163 [0,2,0,0,0,0|1,0,1]=4 2631 B18R0.176 C#CCCCCCCCNCCCCCCC(C)C 34a_100000211014_100153394163 [0,2,0,0,0,0|1,0,1]=4 2632 B18R0.176 C#CCCCCCCOCCCCCCCC(C)C 34a_200000210741_100012276617 [0,2,0,0,0,0|1,0,1]=4 2633 B18R0.176 C#CCCCCCCOCCCCCCCC(C)C 7a_200000210741_100012276617 [0,2,0,0,0,0|1,0,1]=4 2634 B18R0.176 CC(=O)SCCCCCCCCCCCOCCBr 34a_100000211926_100010140907 [0,2,0,0,0,0|2,0,0]=4 2635 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100010140907_100011217306 [0,2,0,0,0,0|2,0,0]=4 2636 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100011217306_100010140907 [0,2,0,0,0,0|2,0,0]=4 2637 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 34a_100009813782_200010402107 [0,2,0,0,0,0|2,0,0]=4 2638 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 7a_100009813782_200010402107 [0,2,0,0,0,0|2,0,0]=4 2639 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 34a_100009868337_200010402107 [0,2,0,0,0,0|2,0,0]=4 2640 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 7a_100009868337_200010402107 [0,2,0,0,0,0|2,0,0]=4 2641 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 34a_100009813290_100000038929 [0,2,0,0,0,0|2,0,0]=4 2642 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 7a_100009813290_100000038929 [0,2,0,0,0,0|2,0,0]=4 2643 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 34a_200000033068_100000038929 [0,2,0,0,0,0|2,0,0]=4 2644 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 7a_200000033068_100000038929 [0,2,0,0,0,0|2,0,0]=4 2645 B18R0.176 CC(C)CCCCCCCOCCCCCCC#N 7a_200000210741_100009813337 [0,2,0,0,0,0|1,0,1]=4 2646 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000043322 [0,2,0,0,0,0|0,0,2]=4 2647 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_200000043322_100011215641 [0,2,0,0,0,0|0,0,2]=4 2648 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 34a_200020667288_100009817362 [0,2,0,0,0,0|0,0,2]=4 2649 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 7a_200020667288_100000735457 [0,2,0,0,0,0|0,0,2]=4 2650 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 34a_100015232335_100000685027 [0,2,0,0,0,0|0,0,2]=4 2651 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 7a_100015232335_100011215641 [0,2,0,0,0,0|0,0,2]=4 2652 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)C 7a_200025761149_100000053229 [0,2,0,0,0,0|0,0,2]=4 2653 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [0,2,0,0,0,0|0,0,0]=2 2654 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [0,2,0,0,0,0|0,0,0]=2 2655 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [0,2,0,0,0,0|0,0,0]=2 2656 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [0,2,0,0,0,0|0,0,0]=2 2657 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 2230a_100011215765_100000761012 [0,2,0,0,0,0|1,0,1]=4 2658 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_200011215488 [0,2,0,0,0,0|1,0,1]=4 2659 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210684 [0,2,0,0,0,0|1,0,1]=4 2660 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100011215765_100000761012 [0,2,0,0,0,0|1,0,1]=4 2661 B18R0.176 CCCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011934334 [0,2,0,0,0,0|1,0,0]=3 2662 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 2230a_100000210451_100011217483 [0,2,0,0,0,0|1,0,1]=4 2663 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 34a_100000210451_100011217483 [0,2,0,0,0,0|1,0,1]=4 2664 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 2230a_100000210451_200009816681 [0,2,0,0,0,0|1,0,1]=4 2665 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 34a_100000210451_200009816681 [0,2,0,0,0,0|1,0,1]=4 2666 B18R0.176 CCCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000759014 [0,2,0,0,0,0|1,0,0]=3 2667 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 34a_100000210809_200135323944 [0,2,0,0,0,0|1,1,0]=4 2668 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 7a_100000210809_200135323944 [0,2,0,0,0,0|1,1,0]=4 2669 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 34a_100000210809_100000038929 [0,2,0,0,0,0|1,0,0]=3 2670 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 7a_100000210809_100000038929 [0,2,0,0,0,0|1,0,0]=3 2671 B18R0.176 CCCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100011215454 [0,2,0,0,0,0|1,0,0]=3 2672 B18R0.176 CCCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100011215454 [0,2,0,0,0,0|1,0,0]=3 2673 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 34a_100000210711_200010402107 [0,2,0,0,0,0|1,0,0]=3 2674 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 7a_100000210711_200010402107 [0,2,0,0,0,0|1,0,0]=3 2675 B18R0.176 CCCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210320 [0,2,0,0,0,0|1,0,0]=3 2676 B18R0.176 CCCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210320 [0,2,0,0,0,0|1,0,0]=3 2677 B18R0.176 CCCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210670 [0,2,0,0,0,0|1,0,0]=3 2678 B18R0.176 CCCOCCCCCCCCCCCSC(=O)C 34a_100000210258_100010140907 [0,2,0,0,0,0|1,0,0]=3 2679 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100000210303_100010140907 [0,2,0,0,0,0|1,0,0]=3 2680 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210303 [0,2,0,0,0,0|1,0,0]=3 2681 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100000766300_100010140907 [0,2,0,0,0,0|2,0,0]=4 2682 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000766300 [0,2,0,0,0,0|2,0,0]=4 2683 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100011218213 [0,2,0,0,0,0|2,0,0]=4 2684 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100011218213_100010140907 [0,2,0,0,0,0|2,0,0]=4 2685 B18R0.182 C=CCCCCCCCCCCCNCC(C)(C)C 2230a_100000743828_102130925996 [0,2,0,0,0,0|2,0,0]=4 2686 B18R0.182 C=CCCCCCCCCCCCNCC(C)(C)F 2230a_100020643315_102130925996 [0,2,0,0,0,0|2,0,0]=4 2687 B18R0.182 C=CCCCCCCCCCCCOCC(C)(C)F 34a_100000716592_102130925996 [0,2,0,0,0,0|2,0,0]=4 2688 B18R0.182 C=CCCCCCCCCCCCOCC(C)(F)F 34a_100000068830_102130925996 [0,2,0,0,0,0|2,0,0]=4 2689 B18R0.182 C=CCCCCCCCCCCCSCC(C)(C)O 62a_100000764493_102130925996 [0,2,0,0,0,0|2,0,0]=4 2690 B18R0.182 C=CCCCCCCCCCCCSCC(C)(C)O 62a_102130925996_100000764493 [0,2,0,0,0,0|2,0,0]=4 2691 B18R0.182 C=CCCCCCCCCCCNCCC(C)(C)C 2230a_100000738805_100011093070 [0,2,0,0,0,0|2,0,0]=4 2692 B18R0.182 C=CCCCCCCCCCCNCCC(C)(C)F 2230a_100016253952_100011093070 [0,2,0,0,0,0|2,0,0]=4 2693 B18R0.182 C=CCCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100011093070 [0,2,0,0,0,0|2,0,0]=4 2694 B18R0.182 C=CCCCCCCCCCCSCCC(C)(C)O 62a_100011093070_100000702414 [0,2,0,0,0,0|2,0,0]=4 2695 B18R0.182 C=CCCCCCCCCCSCCCC(C)(C)O 62a_100009814027_100009888830 [0,2,0,0,0,0|2,0,0]=4 2696 B18R0.182 C=CCCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100009814027 [0,2,0,0,0,0|2,0,0]=4 2697 B18R0.182 C=CCCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100012355270 [0,2,0,0,0,0|2,0,0]=4 2698 B18R0.182 C=CCCCCCCCSCCCCCC(C)(C)O 62a_100012355270_100010402123 [0,2,0,0,0,0|2,0,0]=4 2699 B18R0.182 O=CCCCSCCCCCCCCCC(F)(F)F 62a_200011292268_200041927475 [0,2,0,0,0,0|2,0,0]=4 2700 B18R0.182 O=CCCCSCCCCCCCCCC(F)(F)F 62a_200041927475_200011292268 [0,2,0,0,0,0|2,0,0]=4 2701 B18R0.182 O=CCSCCCCCCCCCCCC(F)(F)F 62a_200015260668_200044909058 [0,2,0,0,0,0|2,0,0]=4 2702 B18R0.182 O=CCSCCCCCCCCCCCC(F)(F)F 62a_200044909058_200015260668 [0,2,0,0,0,0|2,0,0]=4 2703 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 2230a_100000225649_100000210684 [0,2,0,0,0,0|2,0,0]=4 2704 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 269982a_100000225649_100000210684 [0,2,0,0,0,0|2,0,0]=4 2705 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 270004a_100000225649_200011215488 [0,2,0,0,0,0|2,0,0]=4 2706 B18R0.220 C=CCCCCCCCCCCCN(C)CC(C)C 2230a_100000747067_102130925996 [0,2,0,0,0,0|2,0,0]=4 2707 B18R0.220 C=CCCCCCCCCCCCN(C)CC(C)C 269982a_100000747067_102130925996 [0,2,0,0,0,0|2,0,0]=4 2708 B18R0.220 C=CCCCCCCCCCCNC(C)CC(C)C 2230a_100000692259_100011093070 [0,2,0,0,0,0|2,0,0]=4 2709 B18R0.220 CCCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000759014 [0,2,0,0,0,0|2,0,0]=4 2710 B18R0.233 C=CCCCCCCCCNC(C)CCCC(C)C 2230a_100000210607_100011933949 [0,2,0,0,0,0|2,0,0]=4 2711 B18R0.233 C=CCCCCCCNCCC(C)CCCC(C)C 2230a_102516457229_100011215473 [0,2,0,0,0,0|2,0,0]=4 2712 B18R0.233 C=CCCCCCCOCCC(C)CCCC(C)C 34a_100000015991_100011215473 [0,2,0,0,0,0|2,0,0]=4 2713 B18R0.233 C=CCCCCCCOCCC(C)CCCC(C)C 34a_200011216477_100009816328 [0,2,0,0,0,0|2,0,0]=4 2714 B18R0.233 C=CCCCCCCOCCC(C)CCCC(C)C 7a_100000015991_100011215473 [0,2,0,0,0,0|2,0,0]=4 2715 B18R0.233 C=CCCCCCCOCCC(C)CCCC(C)C 7a_200011216477_100009816328 [0,2,0,0,0,0|2,0,0]=4 2716 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [0,2,0,0,0,0|0,0,1]=3 2717 B18R0.233 CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215454 [0,2,0,0,0,0|1,0,1]=4 2718 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [0,2,0,0,0,0|1,0,0]=3 2719 B18R0.974 CC(=O)SCCCCCCCCCCCOC(C)C 34a_100000212225_100010140907 [0,2,0,0,0,0|2,0,0]=4 2720 B18R0.974 CC(=O)SCCCCCCCCCCCSC(C)C 62a_100000210206_100010140907 [0,2,0,0,0,0|2,0,0]=4 2721 B18R0.974 CC(=O)SCCCCCCCCCCCSC(C)C 62a_100010140907_100000210206 [0,2,0,0,0,0|2,0,0]=4 2722 B18R0.974 CC(=O)SCCCCOCCCCCCCC(C)C 34a_200000210741_200010402107 [0,2,0,0,0,0|2,0,0]=4 2723 B18R0.974 CC(=O)SCCCCOCCCCCCCC(C)C 7a_200000210741_200010402107 [0,2,0,0,0,0|2,0,0]=4 2724 B18R0.7250 CCCCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011218727 [0,2,0,0,0,0|2,0,0]=4 2725 B18R0.7250 CCCCCCCC(C)SCCCCCOC(=O)C 62a_200011218727_100000033007 [0,2,0,0,0,0|2,0,0]=4 2726 B18R0.11628 CCCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210558_200010402107 [0,2,0,0,0,0|1,0,1]=4 2727 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 34a_100011218016_100009817362 [0,2,0,0,0,0|1,0,0]=3 2728 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 7a_100011218016_100000735457 [0,2,0,0,0,0|1,0,0]=3 2729 B18R0.11628 CCCCCCCCCC(C)OCCCSC(=O)C 34a_100011218016_100000038929 [0,2,0,0,0,0|2,0,0]=4 2730 B18R0.11628 CCCCCCCCCC(C)OCCCSC(=O)C 7a_100011218016_100000038929 [0,2,0,0,0,0|2,0,0]=4 2731 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210375_100000735457 [0,2,0,0,0,0|0,0,1]=3 2732 B18R0.17430 CCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210375_100000038929 [0,2,0,0,0,0|1,0,1]=4 2733 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 34a_100011215000_100000685027 [0,2,0,0,0,0|1,0,0]=3 2734 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 7a_100011215000_100011215641 [0,2,0,0,0,0|1,0,0]=3 2735 B18R0.19183 C=C(C)CCC(C)NCCCCCCCCCCC 270004a_200011215754_100011215600 [0,2,0,0,0,0|2,0,0]=4 2736 B18R0.19183 C=C(C)CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000730704 [0,2,0,0,0,0|2,0,0]=4 2737 B18R0.19183 C=C(C)CCN(C)CCCCCCCCCCCC 269982a_100000227908_100000730704 [0,2,0,0,0,0|2,0,0]=4 2738 B18R0.19183 C=CCCCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100011093070 [0,2,0,0,0,0|2,0,0]=4 2739 B18R0.19183 C=CCCCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100011093070 [0,2,0,0,0,0|2,0,0]=4 2740 B18R0.19183 C=CCCCCCCCCCNC(C)CCC(C)C 2230a_100000081888_100011261404 [0,2,0,0,0,0|2,0,0]=4 2741 B18R0.19183 C=CCCCCCCCCCNC(C)CCC(C)C 2230a_100138410893_100009814027 [0,2,0,0,0,0|2,0,0]=4 2742 B18R0.19183 C=CCCCCCCCCCNC(C)CCC(C)C 270004a_100000081888_100000210476 [0,2,0,0,0,0|2,0,0]=4 2743 B18R0.19183 C=CCCCCCCCCCNC(C)CCC(C)C 34a_100000081888_100011261404 [0,2,0,0,0,0|2,0,0]=4 2744 B18R0.19183 CCCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000759014 [0,2,0,0,0,0|1,0,1]=4 2745 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)C 34a_100000211253_200011217028 [0,2,0,0,0,0|1,0,0]=3 2746 B18R0.19183 CCCCCCCCCCCCC(C)SC[N+](=O)[O-] 62a_200011217028_100000761209 [0,2,0,0,0,0|2,0,0]=4 2747 B18R0.19183 CCCCCCCCCCOCC(C)CSC(=O)C 34a_100000210711_200000116872 [0,2,0,0,0,0|2,0,0]=4 2748 B18R0.19183 CCCCCCCCCCOCC(C)CSC(=O)C 7a_100000210711_200000116872 [0,2,0,0,0,0|2,0,0]=4 2749 B18R0.19183 CCCCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210320 [0,2,0,0,0,0|2,0,0]=4 2750 B18R0.11621 C#CCCCCCCC(=O)CCCCCCCCC 1458a_100000034748_100000210670 [0,2,0,0,0,0|1,0,1]=4 2751 B18R0.11621 C#CCCCCCCC(=O)CCCCCCCCC 1458a_100000210558_100012276617 [0,2,0,0,0,0|1,0,1]=4 2752 B18R0.11621 C#CCCCCCCCC(=O)CCCCCCCC 1458a_100000087357_100000210759 [0,2,0,0,0,0|1,0,1]=4 2753 B18R0.11621 C#CCCCCCCCC(=O)CCCCCCCC 1458a_100000210188_100153394163 [0,2,0,0,0,0|1,0,1]=4 2754 B18R0.11621 C#CCCCCCCCN(C)CCCCCCCC 2230a_100000207567_100153394163 [0,2,0,0,0,0|1,0,1]=4 2755 B18R0.11621 C#CCCCCCCCN(C)CCCCCCCC 269982a_100000207567_100153394163 [0,2,0,0,0,0|1,0,1]=4 2756 B18R0.11621 C#CCCCCCCN(C)CCCCCCCCC 2230a_100000232482_100012276617 [0,2,0,0,0,0|1,0,1]=4 2757 B18R0.11621 C#CCCCCCCN(C)CCCCCCCCC 269982a_100000232482_100012276617 [0,2,0,0,0,0|1,0,1]=4 2758 B18R0.11621 C#CCCCCCCOC(C)CCCCCCCC 34a_100000210740_100012276617 [0,2,0,0,0,0|1,0,1]=4 2759 B18R0.11621 C#CCCCCCCOC(C)CCCCCCCC 7a_100000210740_100012276617 [0,2,0,0,0,0|1,0,1]=4 2760 B18R0.11621 C#CCCCCCOC(C)CCCCCCCCC 34a_100011218016_100012094781 [0,2,0,0,0,0|1,0,1]=4 2761 B18R0.11621 C#CCCCCCOC(C)CCCCCCCCC 7a_100011218016_100012094781 [0,2,0,0,0,0|1,0,1]=4 2762 B18R0.11621 C#CCCCCCOCC(C)CCCCCCCC 34a_200012125181_100012094781 [0,2,0,0,0,0|1,0,1]=4 2763 B18R0.11621 C#CCCCCCOCC(C)CCCCCCCC 7a_200012125181_100012094781 [0,2,0,0,0,0|1,0,1]=4 2764 B18R0.11621 CCCCCCCCC(C)CNCCCCCC#N 270004a_100000061152_100011995885 [0,2,0,0,0,0|1,0,1]=4 2765 B18R0.11621 CCCCCCCCC(C)COCCCCCC#N 7a_200012125181_100009813376 [0,2,0,0,0,0|1,0,1]=4 2766 B18R0.11621 CCCCCCCCC(C)OCCCCCCC#N 7a_100000210740_100009813337 [0,2,0,0,0,0|1,0,1]=4 2767 B18R0.11621 CCCCCCCCCC(=O)CCCCCCC#N 1458a_100000210558_100009813337 [0,2,0,0,0,0|1,0,1]=4 2768 B18R0.11621 CCCCCCCCCC(C)CNCCCCC#N 270004a_100000751965_200011218516 [0,2,0,0,0,0|1,0,1]=4 2769 B18R0.11621 CCCCCCCCCC(C)NCCCCCC#N 270004a_100000061152_100011215753 [0,2,0,0,0,0|1,0,1]=4 2770 B18R0.11621 CCCCCCCCCC(C)OCCCCCC#N 7a_100011218016_100009813376 [0,2,0,0,0,0|1,0,1]=4 2771 B18R0.11621 CCCCCCCCCN(C)CCCCCCC#N 2230a_100000232482_100009813337 [0,2,0,0,0,0|1,0,1]=4 2772 B18R0.11621 CCCCCCCCCN(C)CCCCCCC#N 269982a_100000232482_100009813337 [0,2,0,0,0,0|1,0,1]=4 2773 B18R0.19895 C=CCCCCN(C)CC(C)CCCCCCCC 270004a_100012000471_100011995885 [0,2,0,0,0,0|2,0,0]=4 2774 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCC 1458a_100000297455_100000184674 [0,2,0,0,0,0|1,0,1]=4 2775 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCC 1458a_100011220946_100011215471 [0,2,0,0,0,0|1,0,1]=4 2776 B18R0.110 C#CCC(C)OCCCCCCCCCCCCC 34a_100000685586_100000210684 [0,2,0,0,0,0|1,0,1]=4 2777 B18R0.110 C#CCC(C)OCCCCCCCCCCCCC 7a_100000685586_100000210684 [0,2,0,0,0,0|1,0,1]=4 2778 B18R0.110 C#CCCCCCCCCCCOCC(C)CCC 34a_100000054667_100011216630 [0,2,0,0,0,0|1,0,1]=4 2779 B18R0.110 C#CCCCCCCCCCCOCC(C)CCC 7a_100000054667_100011216630 [0,2,0,0,0,0|1,0,1]=4 2780 B18R0.110 C#CCN(C)CCCCCCCCCCCCCC 2230a_100000225692_100011215471 [0,2,0,0,0,0|1,0,1]=4 2781 B18R0.110 C#CCN(C)CCCCCCCCCCCCCC 270004a_100000225692_200011216147 [0,2,0,0,0,0|1,0,1]=4 2782 B18R0.110 C#CCN(C)CCCCCCCCCCCCCC 34a_100000225692_100011215471 [0,2,0,0,0,0|1,0,1]=4 2783 B18R0.110 CCCCCCCCCCCCCCC(=O)CC#N 1458a_100000297455_100011214920 [0,2,0,0,0,0|1,0,1]=4 2784 B18R0.110 CCCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215471 [0,2,0,0,0,0|1,0,1]=4 2785 B18R0.110 CCCCCCCCCCCCCCN(C)CC#N 2230a_100000748184_100011215471 [0,2,0,0,0,0|1,0,1]=4 2786 B18R0.110 CCCCCCCCCCCCCNC(C)CC#N 2230a_100011215765_100009813641 [0,2,0,0,0,0|1,0,1]=4 2787 B18R0.110 CCCCCCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210684 [0,2,0,0,0,0|1,0,1]=4 2788 B18R0.110 CCCCCCCCCCCCCOC(C)CC#N 7a_100000185773_100009813641 [0,2,0,0,0,0|1,0,1]=4 2789 B18R0.221 C=CCCCCCCCCCCCOCC#CCC 34a_100000032950_102130925996 [0,2,0,0,0,0|1,0,1]=4 2790 B18R0.221 C=CCCCCCCCCCCCOCCC#CC 34a_100000750427_102130925996 [0,2,0,0,0,0|1,0,1]=4 2791 B18R0.221 C=CCCCCCCCCCCOCC#CCCC 34a_100000034806_100011093070 [0,2,0,0,0,0|1,0,1]=4 2792 B18R0.221 C=CCCCCCCCCCCOCC#CCCC 7a_100000034806_100011093070 [0,2,0,0,0,0|1,0,1]=4 2793 B18R0.221 C=CCCCCCCCCCCOCCC#CCC 34a_100000036655_100011093070 [0,2,0,0,0,0|1,0,1]=4 2794 B18R0.221 C=CCCCCCCCCCCOCCC#CCC 7a_100000036655_100011093070 [0,2,0,0,0,0|1,0,1]=4 2795 B18R0.221 C=CCCCCCCCCCOCC#CCCCC 34a_200000034558_100009814027 [0,2,0,0,0,0|1,0,1]=4 2796 B18R0.221 C=CCCCCCCCCCOCC#CCCCC 7a_200000034558_100009814027 [0,2,0,0,0,0|1,0,1]=4 2797 B18R0.221 C=CCCCCCCCCCOCCC#CCCC 34a_100000042726_100009814027 [0,2,0,0,0,0|1,0,1]=4 2798 B18R0.221 C=CCCCCCCCCCOCCC#CCCC 7a_100000042726_100009814027 [0,2,0,0,0,0|1,0,1]=4 2799 B18R0.221 C=CCCCCCCCCOCC#CCCCCC 34a_100011215194_100009816472 [0,2,0,0,0,0|1,0,1]=4 2800 B18R0.221 C=CCCCCCCCCOCC#CCCCCC 34a_200000033628_100011933949 [0,2,0,0,0,0|1,0,1]=4 2801 B18R0.221 C=CCCCCCCCCOCC#CCCCCC 7a_100011215194_100009816472 [0,2,0,0,0,0|1,0,1]=4 2802 B18R0.221 C=CCCCCCCCCOCC#CCCCCC 7a_200000033628_100011933949 [0,2,0,0,0,0|1,0,1]=4 2803 B18R0.221 C=CCCCCCCCCOCCC#CCCCC 34a_100000037610_100011933949 [0,2,0,0,0,0|1,0,1]=4 2804 B18R0.221 C=CCCCCCCCCOCCC#CCCCC 7a_100000037610_100011933949 [0,2,0,0,0,0|1,0,1]=4 2805 B18R0.221 C=CCCCCCCCOCC#CCCCCCC 34a_200000037284_100012355270 [0,2,0,0,0,0|1,0,1]=4 2806 B18R0.221 C=CCCCCCCCOCC#CCCCCCC 7a_200000037284_100012355270 [0,2,0,0,0,0|1,0,1]=4 2807 B18R0.221 C=CCCCCCCCOCCC#CCCCCC 34a_200000042877_100012355270 [0,2,0,0,0,0|1,0,1]=4 2808 B18R0.221 C=CCCCCCCCOCCC#CCCCCC 7a_200000042877_100012355270 [0,2,0,0,0,0|1,0,1]=4 2809 B18R0.221 C=CCCCCCCCOCCCC#CCCCC 34a_100000730831_200000047210 [0,2,0,0,0,0|1,0,1]=4 2810 B18R0.221 C=CCCCCCCCOCCCC#CCCCC 7a_100000730831_200000047210 [0,2,0,0,0,0|1,0,1]=4 2811 B18R0.221 C=CCCCCCCOCC#CCCCCCCC 34a_200000061759_100011215473 [0,2,0,0,0,0|1,0,1]=4 2812 B18R0.221 C=CCCCCCCOCC#CCCCCCCC 7a_200000061759_100011215473 [0,2,0,0,0,0|1,0,1]=4 2813 B18R0.221 C=CCCCCCCOCCC#CCCCCCC 34a_200000033163_100011215473 [0,2,0,0,0,0|1,0,1]=4 2814 B18R0.221 C=CCCCCCCOCCC#CCCCCCC 7a_200000033163_100011215473 [0,2,0,0,0,0|1,0,1]=4 2815 B18R0.221 C=CCCCCCCOCCCCC#CCCCC 34a_200000066234_100011215473 [0,2,0,0,0,0|1,0,1]=4 2816 B18R0.221 C=CCCCCCCOCCCCC#CCCCC 7a_200000066234_100011215473 [0,2,0,0,0,0|1,0,1]=4 2817 B18R0.221 C=CCCCCCCOCCCCCCC#CCC 34a_200011216477_200000036426 [0,2,0,0,0,0|1,0,1]=4 2818 B18R0.221 C=CCCCCCCOCCCCCCC#CCC 7a_200011216477_200000036426 [0,2,0,0,0,0|1,0,1]=4 2819 B18R0.221 C=CCCCCNCCCCCCC#CCCCC 2230a_100000703577_200000043322 [0,2,0,0,0,0|1,0,1]=4 2820 B18R0.221 C=CCCCCNCCCCCCC#CCCCC 34a_100000703577_200000043322 [0,2,0,0,0,0|1,0,1]=4 2821 B18R0.221 C=CCCCCOCCCCCCC#CCCCC 34a_100000766645_200000043322 [0,2,0,0,0,0|1,0,1]=4 2822 B18R0.221 C=CCCCCOCCCCCCC#CCCCC 7a_100000766645_200000043322 [0,2,0,0,0,0|1,0,1]=4 2823 B18R0.221 C=CCCCCOCCCCCCCCC#CCC 34a_200000031908_100011215482 [0,2,0,0,0,0|1,0,1]=4 2824 B18R0.221 C=CCCCCOCCCCCCCCC#CCC 7a_200000031908_100011215482 [0,2,0,0,0,0|1,0,1]=4 2825 B18R0.221 CC#CCCOCCCCCCCCCCCCC 34a_100000750427_100000210684 [0,2,0,0,0,0|1,0,1]=4 2826 B18R0.221 CC#CCNCCCCCCCCCCCCCC 2230a_100000685387_100011215471 [0,2,0,0,0,0|1,0,1]=4 2827 B18R0.221 CC#CCNCCCCCCCCCCCCCC 2230a_100011217771_100000748600 [0,2,0,0,0,0|1,0,1]=4 2828 B18R0.221 CC#CCNCCCCCCCCCCCCCC 34a_100000685387_100011215471 [0,2,0,0,0,0|1,0,1]=4 2829 B18R0.221 CC#CCNCCCCCCCCCCCCCC 34a_100011217771_100000748600 [0,2,0,0,0,0|1,0,1]=4 2830 B18R0.221 CC#CCOCCCCCCCCCCCCCC 34a_100000210739_100000748600 [0,2,0,0,0,0|1,0,1]=4 2831 B18R0.221 CC#CCOCCCCCCCCCCCCCC 34a_100000761923_100011215471 [0,2,0,0,0,0|1,0,1]=4 2832 B18R0.221 CC#CCOCCCCCCCCCCCCCC 7a_100000210739_100000748600 [0,2,0,0,0,0|1,0,1]=4 2833 B18R0.221 CCCCC#CCCCCCCSCCCCC=O 62a_100000139335_200000043322 [0,2,0,0,0,0|0,0,1]=3 2834 B18R0.221 CCCCC#CCCCCCCSCCCCC=O 62a_200000043322_100000139335 [0,2,0,0,0,0|0,0,1]=3 2835 B18R0.3155 C#CCCC(=O)CCCCCCCCCCCCC 1458a_100000692101_100000210684 [0,2,0,0,0,0|1,0,1]=4 2836 B18R0.3155 C#CCCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000753159 [0,2,0,0,0,0|1,0,1]=4 2837 B18R0.3155 C#CCCCCCCCCCCOC(C)CCCC 34a_100000054667_200011215066 [0,2,0,0,0,0|1,0,1]=4 2838 B18R0.3155 C#CCCCCCCCCCCOC(C)CCCC 7a_100000054667_200011215066 [0,2,0,0,0,0|1,0,1]=4 2839 B18R0.3155 C#CCCCCCCOCCCCC(C)CCCC 34a_200011021034_100012276617 [0,2,0,0,0,0|1,0,1]=4 2840 B18R0.3155 C#CCCCCCCOCCCCC(C)CCCC 7a_200011021034_100012276617 [0,2,0,0,0,0|1,0,1]=4 2841 B18R0.3155 CCCCC(C)CCCCOCCCCCCC#N 7a_200011021034_100009813337 [0,2,0,0,0,0|1,0,1]=4 2842 B18R0.3155 CCCCCCCCCCCCCC(=O)CCC#N 1458a_100000756256_100011215226 [0,2,0,0,0,0|1,0,1]=4 2843 B18R0.3155 CCCCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210684 [0,2,0,0,0,0|1,0,1]=4 2844 B18R0.3155 CCCCCCCCCCCCCN(C)CCC#N 2230a_100000184479_100000210684 [0,2,0,0,0,0|1,0,1]=4 2845 B18R0.3155 CCCCCCCCCCCCCN(C)CCC#N 270004a_100000184479_200011215488 [0,2,0,0,0,0|1,0,1]=4 2846 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010269958 [0,2,0,0,0,0|1,0,1]=4 2847 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000696528_100011215454 [0,2,0,0,0,0|1,0,1]=4 2848 B18R0.7792 C#CCCCCCCCCOC(C)CCCCCC 34a_100000065265_100011215978 [0,2,0,0,0,0|1,0,1]=4 2849 B18R0.7792 C#CCCCCCCCCOC(C)CCCCCC 7a_100000065265_100011215978 [0,2,0,0,0,0|1,0,1]=4 2850 B18R0.7792 C#CCCCCCCOCCC(C)CCCCCC 34a_200011024964_100012276617 [0,2,0,0,0,0|1,0,1]=4 2851 B18R0.7792 C#CCCCCCCOCCC(C)CCCCCC 7a_200011024964_100012276617 [0,2,0,0,0,0|1,0,1]=4 2852 B18R0.7792 C#CCCCNC(C)CCCCCCCCCCC 270004a_100000718082_100011216755 [0,2,0,0,0,0|1,0,1]=4 2853 B18R0.7792 C#CCCCOC(C)CCCCCCCCCCC 34a_100011217895_100000695029 [0,2,0,0,0,0|1,0,1]=4 2854 B18R0.7792 C#CCCCOC(C)CCCCCCCCCCC 7a_100011217895_100011215417 [0,2,0,0,0,0|1,0,1]=4 2855 B18R0.7792 CCCCCCC(C)CCOCCCCCCC#N 7a_200011024964_100009813337 [0,2,0,0,0,0|1,0,1]=4 2856 B18R0.7792 CCCCCCCCCCCC(=O)CCCCC#N 1458a_100000210736_100000211819 [0,2,0,0,0,0|1,0,1]=4 2857 B18R0.7792 CCCCCCCCCCCC(C)OCCCC#N 7a_100011217895_100000687738 [0,2,0,0,0,0|1,0,1]=4 2858 B18R0.17438 C#CCCCCCC(=O)CCCCCCCCCC 1458a_100000210375_100012094781 [0,2,0,0,0,0|1,0,1]=4 2859 B18R0.17438 C#CCCCCCC(=O)CCCCCCCCCC 1458a_100000694772_100000210319 [0,2,0,0,0,0|1,0,1]=4 2860 B18R0.17438 C#CCCCCCCCCC(=O)CCCCCCC 1458a_100000029693_100000210614 [0,2,0,0,0,0|1,0,1]=4 2861 B18R0.17438 C#CCCCCCCCOC(C)CCCCCCC 34a_100000054614_200011218727 [0,2,0,0,0,0|1,0,1]=4 2862 B18R0.17438 C#CCCCCCCCOC(C)CCCCCCC 34a_200011215852_100153394163 [0,2,0,0,0,0|1,0,1]=4 2863 B18R0.17438 C#CCCCCCCCOC(C)CCCCCCC 7a_100000054614_200011218727 [0,2,0,0,0,0|1,0,1]=4 2864 B18R0.17438 C#CCCCCCCCOC(C)CCCCCCC 7a_200011215852_100153394163 [0,2,0,0,0,0|1,0,1]=4 2865 B18R0.17438 C#CCCCCCN(C)CCCCCCCCCC 2230a_100000207566_100012094781 [0,2,0,0,0,0|1,0,1]=4 2866 B18R0.17438 C#CCCCCCN(C)CCCCCCCCCC 269982a_100000207566_100012094781 [0,2,0,0,0,0|1,0,1]=4 2867 B18R0.17438 C#CCCCCOC(C)CCCCCCCCCC 34a_100011215000_100010269958 [0,2,0,0,0,0|1,0,1]=4 2868 B18R0.17438 C#CCCCCOC(C)CCCCCCCCCC 7a_100011215000_100010269958 [0,2,0,0,0,0|1,0,1]=4 2869 B18R0.17438 CCCCCCCCCCC(=O)CCCCCC#N 1458a_100000210375_100009813376 [0,2,0,0,0,0|1,0,1]=4 2870 B18R0.17438 CCCCCCCCCCC(C)NCCCCC#N 270004a_100000751965_200011219864 [0,2,0,0,0,0|1,0,1]=4 2871 B18R0.17438 CCCCCCCCCCC(C)OCCCCC#N 7a_100011215000_100000211819 [0,2,0,0,0,0|1,0,1]=4 2872 B18R0.17438 CCCCCCCCCCN(C)CCCCCC#N 2230a_100000207566_100009813376 [0,2,0,0,0,0|1,0,1]=4 2873 B18R0.17438 CCCCCCCCCCN(C)CCCCCC#N 269982a_100000207566_100009813376 [0,2,0,0,0,0|1,0,1]=4 2874 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCC 1458a_100000690238_100000759014 [0,2,0,0,0,0|1,0,1]=4 2875 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000731252 [0,2,0,0,0,0|1,0,1]=4 2876 B18R0.19788 C#CCCCCCCCCCOC(C)CCCCC 34a_100000034437_200011218191 [0,2,0,0,0,0|1,0,1]=4 2877 B18R0.19788 C#CCCCCCCCCCOC(C)CCCCC 7a_100000034437_200011218191 [0,2,0,0,0,0|1,0,1]=4 2878 B18R0.19788 C#CCCCN(C)CCCCCCCCCCCC 2230a_100000227908_100000731252 [0,2,0,0,0,0|1,0,1]=4 2879 B18R0.19788 C#CCCCN(C)CCCCCCCCCCCC 269982a_100000227908_100011215417 [0,2,0,0,0,0|1,0,1]=4 2880 B18R0.19788 C#CCCNC(C)CCCCCCCCCCCC 34a_100000755551_200011217028 [0,2,0,0,0,0|1,0,1]=4 2881 B18R0.19788 C#CCCOC(C)CCCCCCCCCCCC 34a_100011215631_200011217028 [0,2,0,0,0,0|1,0,1]=4 2882 B18R0.19788 C#CCCOC(C)CCCCCCCCCCCC 34a_200011215752_100000688953 [0,2,0,0,0,0|1,0,1]=4 2883 B18R0.19788 C#CCCOC(C)CCCCCCCCCCCC 7a_200011215752_100000688953 [0,2,0,0,0,0|1,0,1]=4 2884 B18R0.19788 C#CCOCC(C)CCCCCCCCCCCC 34a_100000724949_100000184674 [0,2,0,0,0,0|1,0,1]=4 2885 B18R0.19788 C#CCOCC(C)CCCCCCCCCCCC 7a_100000724949_100000038162 [0,2,0,0,0,0|1,0,1]=4 2886 B18R0.19788 CCCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000759014 [0,2,0,0,0,0|1,0,1]=4 2887 B18R0.19788 CCCCCCCCCCCCC(=O)CCCC#N 1458a_100011215791_100000211468 [0,2,0,0,0,0|1,0,1]=4 2888 B18R0.19788 CCCCCCCCCCCCC(C)COCC#N 7a_100000724949_100011215382 [0,2,0,0,0,0|1,0,1]=4 2889 B18R0.19788 CCCCCCCCCCCCC(C)NCCC#N 270004a_100000720768_100011219199 [0,2,0,0,0,0|1,0,1]=4 2890 B18R0.19788 CCCCCCCCCCCCC(C)OCCC#N 7a_200011215752_100000184422 [0,2,0,0,0,0|1,0,1]=4 2891 B18R0.19788 CCCCCCCCCCCCN(C)CCCC#N 2230a_100000227908_100000687738 [0,2,0,0,0,0|1,0,1]=4 2892 B18R0.19788 CCCCCCCCCCCCN(C)CCCC#N 269982a_100000227908_100000687738 [0,2,0,0,0,0|1,0,1]=4 2893 B18R0.19788 CCCCCCCCCCCNC(C)CCCC#N 270004a_200011215754_200000032708 [0,2,0,0,0,0|1,0,1]=4 2894 B18R0.175 C=CCCCCCCCCCCN(C)CC(C)CC 2230a_100000753921_100011093070 [0,2,0,0,0,0|2,0,0]=4 2895 B18R0.175 C=CCCCCCCCCCCN(C)CC(C)CC 269982a_100000753921_100011093070 [0,2,0,0,0,0|2,0,0]=4 2896 B18R0.175 C=CCCCCCCCCCNC(C)CC(C)CC 2230a_100000763565_100009814027 [0,2,0,0,0,0|2,0,0]=4 2897 B18R0.175 C=CCCCCCCCCCNC(C)CC(C)CC 270004a_100000081888_100011710205 [0,2,0,0,0,0|2,0,0]=4 2898 B18R0.189 C=CCCCCCCCCCCCN(C)C(C)CC 2230a_100000741768_102130925996 [0,2,0,0,0,0|2,0,0]=4 2899 B18R0.189 C=CCCCCCCCCCCCN(C)C(C)CC 269982a_100000741768_102130925996 [0,2,0,0,0,0|2,0,0]=4 2900 B18R0.19358 C=CCCCCCCCCCCCNC(C)(C)CC 2230a_100000211385_102130925996 [0,2,0,0,0,0|2,0,0]=4 2901 B18R0.19913 C#CC(CC)OCCCCCCCCCCCC=C 34a_100000758843_102130925996 [0,2,0,0,0,0|2,0,0]=4 2902 B18R0.19913 C#CC(CC)OCCCCCCCCCCCC=C 7a_100000758843_102130925996 [0,2,0,0,0,0|2,0,0]=4 2903 B18R0.172 C#CC(CCCC)OCCCCCCCCCC=C 34a_200011217967_100009814027 [0,2,0,0,0,0|2,0,0]=4 2904 B18R0.172 C#CC(CCCC)OCCCCCCCCCC=C 7a_200011217967_100009814027 [0,2,0,0,0,0|2,0,0]=4 2905 B18R0.177 C=CCCCCCCCCCNC(C)C(C)CCC 270004a_100000081888_100011216282 [0,2,0,0,0,0|2,0,0]=4 2906 B18R0.177 C=CCN(C)C(C)CCCCCCCCCCCC 2230a_100000225617_200011217028 [0,2,0,0,0,0|2,0,0]=4 2907 B18R0.177 C=CCN(C)C(C)CCCCCCCCCCCC 269982a_100000225617_200011217028 [0,2,0,0,0,0|2,0,0]=4 2908 B18R0.177 C=CCN(C)C(C)CCCCCCCCCCCC 270004a_100000225617_100011219199 [0,2,0,0,0,0|2,0,0]=4 2909 B18R0.7796 C=CCCN(C)C(C)CCCCCCCCCCC 270004a_100020639649_100011216755 [0,2,0,0,0,0|2,0,0]=4 2910 B18R0.184 C#CC(CCC)OCCCCCCCCCCC=C 34a_200011217317_100011093070 [0,2,0,0,0,0|2,0,0]=4 2911 B18R0.184 C#CC(CCC)OCCCCCCCCCCC=C 7a_200011217317_100011093070 [0,2,0,0,0,0|2,0,0]=4 2912 B18R0.184 C=CCCCCCCCCCCOC(C#N)CCC 34a_100000686963_100011093070 [0,2,0,0,0,0|2,0,0]=4 2913 B18R0.184 C=CCCCCCCCCCCOC(C#N)CCC 7a_100000686963_100011093070 [0,2,0,0,0,0|2,0,0]=4 2914 B18R0.180 C#CC(CCCCC)OCCCCCCCCC=C 34a_100011216489_100011933949 [0,2,0,0,0,0|2,0,0]=4 2915 B18R0.180 C#CC(CCCCC)OCCCCCCCCC=C 7a_100011216489_100011933949 [0,2,0,0,0,0|2,0,0]=4 2916 B18R0.20141 C=CCCCCN(C)C(C)CCCCCCCCC 270004a_100012000471_100011215753 [0,2,0,0,0,0|2,0,0]=4 2917 B16R1.643 BrCCCCCCCCOC1CCCCC1 34a_100009813846_100000210327 [1,0,0,1,0,0|2,0,0]=4 2918 B16R1.643 BrCCCCCCCCOC1CCCCC1 7a_100009813846_100000210327 [1,0,0,1,0,0|2,0,0]=4 2919 B16R1.643 C=CCCCCCCCSC1CCCCC1 62a_100000210327_100012355270 [1,0,0,1,0,0|1,0,1]=4 2920 B16R1.643 C=CCCCCCCCSC1CCCCC1 62a_100012355270_100000210327 [1,0,0,1,0,0|1,0,1]=4 2921 B16R1.643 C=CCCCCCCSCC1CCCCC1 62a_100000211423_100011215473 [1,0,0,1,0,0|1,0,1]=4 2922 B16R1.643 C=CCCCCCCSCC1CCCCC1 62a_100011215473_100000211423 [1,0,0,1,0,0|1,0,1]=4 2923 B16R1.643 C=CCCCCCSCCC1CCCCC1 62a_100000700193_100012355289 [1,0,0,1,0,0|1,0,1]=4 2924 B16R1.643 C=CCCCCCSCCC1CCCCC1 62a_100012355289_100000700193 [1,0,0,1,0,0|1,0,1]=4 2925 B16R1.643 C=CCCCCSCCCC1CCCCC1 62a_100011215482_100011713725 [1,0,0,1,0,0|1,0,1]=4 2926 B16R1.643 C=CCCCCSCCCC1CCCCC1 62a_100011713725_100011215482 [1,0,0,1,0,0|1,0,1]=4 2927 B16R1.643 CCCCCCCCCOC1CCCCC1 34a_100000210231_100011214924 [1,0,0,1,0,0|1,0,1]=4 2928 B16R1.643 CCCCCCCCCOC1CCCCC1 34a_100000210712_100000210327 [1,0,0,1,0,0|1,0,1]=4 2929 B16R1.643 CCCCCCCCCOC1CCCCC1 7a_100000210231_100000210328 [1,0,0,1,0,0|1,0,1]=4 2930 B16R1.643 CCCCCCCCCOC1CCCCC1 7a_100000210712_100000210327 [1,0,0,1,0,0|1,0,1]=4 2931 B16R1.643 CCCCCCCCCSC1C=CCCC1 62a_100000751183_100000210670 [1,0,0,1,0,0|1,0,1]=4 2932 B16R1.643 CCCCCCCCCSC1CCCCC1 62a_100000210327_100000210670 [1,0,0,1,0,0|1,0,1]=4 2933 B16R1.643 CCCCCCCCSCC1CCCCC1 62a_100000210759_100000211423 [1,0,0,1,0,0|1,0,1]=4 2934 B16R1.643 CCCCCCCCSCC1CCCCC1 62a_100000211423_100000210317 [1,0,0,1,0,0|1,0,1]=4 2935 B16R1.643 CCCCCCCSCCC1CCCCC1 62a_100000210614_100012355289 [1,0,0,1,0,0|1,0,1]=4 2936 B16R1.643 CCCCCCCSCCC1CCCCC1 62a_100012355289_100000210316 [1,0,0,1,0,0|1,0,1]=4 2937 B16R1.643 CCCCCCSCCCC1CCCCC1 62a_100000210314_100011713725 [1,0,0,1,0,0|1,0,1]=4 2938 B16R1.643 CCCCCCSCCCC1CCCCC1 62a_100011713725_100000210757 [1,0,0,1,0,0|1,0,1]=4 2939 B16R1.643 FCCCCCCSCCC1CCCCC1 62a_100012355289_100015922095 [1,0,0,1,0,0|2,0,0]=4 2940 B16R1.643 FCCCCCCSCCC1CCCCC1 62a_100015922095_100012355289 [1,0,0,1,0,0|2,0,0]=4 2941 B16R1.643 FCCCCCSCCCC1CCCCC1 62a_100000729378_100011713725 [1,0,0,1,0,0|2,0,0]=4 2942 B16R1.643 FCCCCCSCCCC1CCCCC1 62a_100011713725_100000729378 [1,0,0,1,0,0|2,0,0]=4 2943 B16R1.1193 BrCCCCCCCCCOC1CCCC1 34a_100009813782_100000179811 [1,0,0,1,0,0|2,0,0]=4 2944 B16R1.1193 BrCCCCCCCCCOC1CCCC1 7a_100009813782_100000179811 [1,0,0,1,0,0|2,0,0]=4 2945 B16R1.1193 C=CCCCCCCCCSC1CCCC1 62a_100011217020_100011933949 [1,0,0,1,0,0|1,0,1]=4 2946 B16R1.1193 C=CCCCCCCCCSC1CCCC1 62a_100011933949_100000179811 [1,0,0,1,0,0|1,0,1]=4 2947 B16R1.1193 C=CCCCCCCCSCC1CCCC1 62a_100000740388_100012355270 [1,0,0,1,0,0|1,0,1]=4 2948 B16R1.1193 C=CCCCCCCCSCC1CCCC1 62a_100012355270_100000740388 [1,0,0,1,0,0|1,0,1]=4 2949 B16R1.1193 C=CCCCCCCSCCC1CCCC1 62a_100000760354_100011215473 [1,0,0,1,0,0|1,0,1]=4 2950 B16R1.1193 C=CCCCCCCSCCC1CCCC1 62a_100011215473_100000760354 [1,0,0,1,0,0|1,0,1]=4 2951 B16R1.1193 C=CCCCCCSCCCC1CCCC1 62a_100000700193_100011713738 [1,0,0,1,0,0|1,0,1]=4 2952 B16R1.1193 C=CCCCCCSCCCC1CCCC1 62a_100011713738_100000700193 [1,0,0,1,0,0|1,0,1]=4 2953 B16R1.1193 CCCCCCCCCCOC1CCCC1 34a_100000210269_100000210320 [1,0,0,1,0,0|1,0,1]=4 2954 B16R1.1193 CCCCCCCCCCOC1CCCC1 34a_100000210711_100000179811 [1,0,0,1,0,0|1,0,1]=4 2955 B16R1.1193 CCCCCCCCCCOC1CCCC1 7a_100000210269_100000210320 [1,0,0,1,0,0|1,0,1]=4 2956 B16R1.1193 CCCCCCCCCCOC1CCCC1 7a_100000210711_100000179811 [1,0,0,1,0,0|1,0,1]=4 2957 B16R1.1193 CCCCCCCCCCSC1CCCC1 62a_100011217020_100000210320 [1,0,0,1,0,0|1,0,1]=4 2958 B16R1.1193 CCCCCCCCCSCC1CCCC1 62a_100000740388_100000210670 [1,0,0,1,0,0|1,0,1]=4 2959 B16R1.1193 CCCCCCCCSCCC1CCCC1 62a_100000210759_100000760354 [1,0,0,1,0,0|1,0,1]=4 2960 B16R1.1193 CCCCCCCCSCCC1CCCC1 62a_100000760354_100000210317 [1,0,0,1,0,0|1,0,1]=4 2961 B16R1.1193 CCCCCCCSCCCC1CCCC1 62a_100000210614_100011713738 [1,0,0,1,0,0|1,0,1]=4 2962 B16R1.1193 CCCCCCCSCCCC1CCCC1 62a_100011713738_100000210316 [1,0,0,1,0,0|1,0,1]=4 2963 B16R1.1193 FCCCCCCSCCCC1CCCC1 62a_100011713738_100015922095 [1,0,0,1,0,0|2,0,0]=4 2964 B16R1.1193 FCCCCCCSCCCC1CCCC1 62a_100015922095_100011713738 [1,0,0,1,0,0|2,0,0]=4 2965 B16R1.1218 CCCCCCCCSC1CCCCC1F 62a_100000210759_100015423560 [1,0,0,1,0,0|2,0,0]=4 2966 B16R1.1218 CCCCCCCCSC1CCCCC1F 62a_100015423560_100000210317 [1,0,0,1,0,0|2,0,0]=4 2967 B16R1.3891 BrCCCCCCCCCCOC1CCC1 34a_100009813290_100000749161 [1,0,0,1,0,0|2,0,0]=4 2968 B16R1.3891 C=CCCCCCCCCCSC1CCC1 62a_100009814027_100000749161 [1,0,0,1,0,0|1,0,1]=4 2969 B16R1.3891 C=CCCCCCCCCSCC1CCC1 62a_100000763275_100011933949 [1,0,0,1,0,0|1,0,1]=4 2970 B16R1.3891 C=CCCCCCCCCSCC1CCC1 62a_100011933949_100000763275 [1,0,0,1,0,0|1,0,1]=4 2971 B16R1.3891 CCCCCCCCCCCOC1CCC1 34a_100000210809_100000749161 [1,0,0,1,0,0|1,0,1]=4 2972 B16R1.3891 CCCCCCCCCCCOC1CCC1 34a_100000748187_100011215454 [1,0,0,1,0,0|1,0,1]=4 2973 B16R1.3891 CCCCCCCCCCSCC1CCC1 62a_100000763275_100000210320 [1,0,0,1,0,0|1,0,1]=4 2974 B16R1.7352 CCCOC1CCCCCCCCCCC1 34a_100000211378_100000210303 [1,0,0,1,0,0|1,0,1]=4 2975 B16R1.7352 CCCOC1CCCCCCCCCCC1 7a_100000211378_100000210303 [1,0,0,1,0,0|1,0,1]=4 2976 B16R1.8379 CCCCCCCOC1CCCCCCC1 34a_100000210054_100000210614 [1,0,0,1,0,0|1,0,1]=4 2977 B16R1.8379 CCCCCCCOC1CCCCCCC1 7a_100000210054_100000210614 [1,0,0,1,0,0|1,0,1]=4 2978 B16R1.17455 BrCCCCCCCCCCCOC1CC1 34a_100009812471_100000211595 [1,0,0,1,0,0|2,0,0]=4 2979 B16R1.17455 C=CCCCCCCCCCCSC1CC1 62a_100011093070_100000211595 [1,0,0,1,0,0|1,0,1]=4 2980 B16R1.17455 C=CCCCCCCCCCSCC1CC1 62a_100000756562_100009814027 [1,0,0,1,0,0|1,0,1]=4 2981 B16R1.17455 C=CCCCCCCCCCSCC1CC1 62a_100009814027_100000742324 [1,0,0,1,0,0|1,0,1]=4 2982 B16R1.17455 C=CCCCCCCCCSCCC1CC1 62a_100000764125_100011933949 [1,0,0,1,0,0|1,0,1]=4 2983 B16R1.17455 C=CCCCCCCCCSCCC1CC1 62a_100011933949_100000764125 [1,0,0,1,0,0|1,0,1]=4 2984 B16R1.17455 CCCCCCCCCCCCOC1CC1 34a_100000210810_100000211595 [1,0,0,1,0,0|1,0,1]=4 2985 B16R1.17455 CCCCCCCCCCCSCC1CC1 62a_100000756562_100011215454 [1,0,0,1,0,0|1,0,1]=4 2986 B16R1.17455 CCCCCCCCCCCSCC1CS1 62a_100000031435_100011215454 [1,0,0,1,0,0|1,1,0]=4 2987 B16R1.17455 CCCCCCCCCCSCCC1CC1 62a_100000764125_100000210320 [1,0,0,1,0,0|1,0,1]=4 2988 B16R1.17539 BrCCCCCCCOC1CCCCCC1 34a_100000760002_100011217769 [1,0,0,1,0,0|2,0,0]=4 2989 B16R1.17539 C=CCCCCCCSC1CCCCCC1 62a_100011215473_100011217769 [1,0,0,1,0,0|1,0,1]=4 2990 B16R1.17539 C=CCCCCCCSC1CCCCCC1 62a_100011217769_100011215473 [1,0,0,1,0,0|1,0,1]=4 2991 B16R1.17539 C=CCCCCCSCC1CCCCCC1 62a_100000700193_200000696569 [1,0,0,1,0,0|1,0,1]=4 2992 B16R1.17539 C=CCCCCCSCC1CCCCCC1 62a_200000696569_100000700193 [1,0,0,1,0,0|1,0,1]=4 2993 B16R1.17539 CCCCCCCCOC1CCCCCC1 34a_100000210232_100011217769 [1,0,0,1,0,0|1,0,1]=4 2994 B16R1.17539 CCCCCCCCOC1CCCCCC1 34a_100000210887_100000210759 [1,0,0,1,0,0|1,0,1]=4 2995 B16R1.17539 CCCCCCCCOC1CCCCCC1 7a_100000210887_100000210759 [1,0,0,1,0,0|1,0,1]=4 2996 B16R1.17539 CCCCCCCCSC1CCCCCC1 62a_100000210759_100011217769 [1,0,0,1,0,0|1,0,1]=4 2997 B16R1.17539 CCCCCCCCSC1CCCCCC1 62a_100011217769_100000210317 [1,0,0,1,0,0|1,0,1]=4 2998 B16R1.17539 CCCCCCCSCC1CCCCCC1 62a_100000210614_200000696569 [1,0,0,1,0,0|1,0,1]=4 2999 B16R1.17539 CCCCCCCSCC1CCCCCC1 62a_200000696569_100000210316 [1,0,0,1,0,0|1,0,1]=4 3000 B16R1.17539 FCCCCCCSCC1CCCCCC1 62a_100015922095_200000696569 [1,0,0,1,0,0|2,0,0]=4 3001 B16R1.17539 FCCCCCCSCC1CCCCCC1 62a_200000696569_100015922095 [1,0,0,1,0,0|2,0,0]=4 3002 B18R1.1108 C=CCCCCCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100009814027 [0,1,0,1,0,0|2,0,0]=4 3003 B18R1.1108 C=CCCCCCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100009814027 [0,1,0,1,0,0|2,0,0]=4 3004 B18R1.1108 C=CCCCCCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100009814027 [0,1,0,1,0,0|2,0,0]=4 3005 B18R1.1108 C=CCCCCCCCCNC1CCCC(C1)C 2230a_100011194320_100011933949 [0,1,0,1,0,0|2,0,0]=4 3006 B18R1.1108 C=CCCCCCCCCNC1CCCC(C1)C 34a_100011194320_100011933949 [0,1,0,1,0,0|2,0,0]=4 3007 B18R1.1108 C=CCCCCCCCCOC1CCCC(C1)C 34a_100000211399_100011933949 [0,1,0,1,0,0|2,0,0]=4 3008 B18R1.1108 CCCCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210320 [0,1,0,1,0,0|2,0,0]=4 3009 B18R1.1260 C=CCCCCCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100011093070 [0,1,0,1,0,0|2,0,0]=4 3010 B18R1.1260 C=CCCCCCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100011093070 [0,1,0,1,0,0|2,0,0]=4 3011 B18R1.1260 C=CCCCCCCCCCCN1CC[C@H](C1)C 34a_100016987628_100011093070 [0,1,0,1,0,0|2,0,0]=4 3012 B18R1.1260 C=CCCCCCCCCCNC1CCC(C1)C 270004a_100000081888_100011215218 [0,1,0,1,0,0|2,0,0]=4 3013 B18R1.1260 C=CCCCCCCCCCOC1CCC(C1)C 34a_100000698185_100009814027 [0,1,0,1,0,0|2,0,0]=4 3014 B18R1.5428 C=CCCCCCCCCCCOCC1CC1C 34a_100000744939_100011093070 [0,1,0,1,0,0|1,0,0]=3 3015 B18R1.5428 C=CCCCCCCCCCCOCC1CC1C 7a_100000744939_100011093070 [0,1,0,1,0,0|1,0,0]=3 3016 B18R1.5428 CCCCCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210684 [0,1,0,1,0,0|1,0,1]=4 3017 B18R1.5428 CCCCCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210684 [0,1,0,1,0,0|1,0,1]=4 3018 B18R1.5428 CCCCCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210684 [0,1,0,1,0,0|1,0,1]=4 3019 B18R1.5428 CCCCCCCCCCCCOCC1CC1C 34a_100000744939_100000759014 [0,1,0,1,0,0|1,0,1]=4 3020 B18R1.5428 CCCCCCCCCCCCOCC1CC1C 7a_100000744939_100000759014 [0,1,0,1,0,0|1,0,1]=4 3021 B18R1.5438 C=CCCCCCCCN1CCCCC1C(C)C 2230a_100000757267_100012355270 [0,1,0,1,0,0|2,0,0]=4 3022 B18R1.5438 C=CCCCCCCCN1CCCCC1C(C)C 269982a_100000757267_100012355270 [0,1,0,1,0,0|2,0,0]=4 3023 B18R1.5438 C=CCCCCCCCN1CCCCC1C(C)C 34a_100000757267_100012355270 [0,1,0,1,0,0|2,0,0]=4 3024 B18R1.5438 C=CCCCCCCOC1CCCCC1C(C)C 34a_100011709184_100011215473 [0,1,0,1,0,0|2,0,0]=4 3025 B18R1.5438 C=CCCCCCCOC1CCCCC1C(C)C 7a_100011709184_100011215473 [0,1,0,1,0,0|2,0,0]=4 3026 B18R1.5442 C=CCCCCCCCN1CCCC1CC(C)C 2230a_100000748429_100012355270 [0,1,0,1,0,0|2,0,0]=4 3027 B18R1.5442 C=CCCCCCCCN1CCCC1CC(C)C 269982a_100000748429_100012355270 [0,1,0,1,0,0|2,0,0]=4 3028 B18R1.5442 C=CCCCCCCCN1CCCC1CC(C)C 34a_100000748429_100012355270 [0,1,0,1,0,0|2,0,0]=4 3029 B18R1.6270 C=CCCCCCN1CCCCCC1CC(C)C 2230a_100000759364_100000700193 [0,1,0,1,0,0|2,0,0]=4 3030 B18R1.6270 C=CCCCCCN1CCCCCC1CC(C)C 269982a_100000759364_100000700193 [0,1,0,1,0,0|2,0,0]=4 3031 B18R1.6270 C=CCCCCCN1CCCCCC1CC(C)C 34a_100000759364_100000700193 [0,1,0,1,0,0|2,0,0]=4 3032 B18R1.8743 C=C1CC(C1)CNCCCCCCCCCCC 2230a_100102567296_100011215454 [0,1,0,1,0,0|2,0,0]=4 3033 B18R1.8743 C=C1CC(C1)CNCCCCCCCCCCC 34a_100102567296_100011215454 [0,1,0,1,0,0|2,0,0]=4 3034 B18R1.8743 C=C1CC(C1)COCCCCCCCCCCC 34a_100011011225_100011215454 [0,1,0,1,0,0|2,0,0]=4 3035 B18R1.8743 C=C1CC(C1)NCCCCCCCCCCCC 2230a_100132301982_100011215052 [0,1,0,1,0,0|2,0,0]=4 3036 B18R1.8743 C=C1CC(C1)NCCCCCCCCCCCC 270004a_100132301982_100011218549 [0,1,0,1,0,0|2,0,0]=4 3037 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)C 2230a_100000702820_102130925996 [0,1,0,1,0,0|2,0,0]=4 3038 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)C 269982a_100000702820_102130925996 [0,1,0,1,0,0|2,0,0]=4 3039 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)C 34a_100000702820_102130925996 [0,1,0,1,0,0|2,0,0]=4 3040 B18R1.8743 C=CCCCCCCCCCOCC1CC(C1)Cl 34a_100009874164_100009814027 [0,1,0,1,0,0|2,0,0]=4 3041 B18R1.8743 CCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000759014 [0,1,0,1,0,0|1,0,0]=3 3042 B18R1.8743 CCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100011215454 [0,1,0,1,0,0|1,0,0]=3 3043 B18R1.10603 CC(=O)SCCCCSCCCC1CCCCC1 62a_100011713725_200010402107 [0,1,0,1,0,0|2,0,0]=4 3044 B18R1.10603 CC(=O)SCCCCSCCCC1CCCCC1 62a_200010402107_100011713725 [0,1,0,1,0,0|2,0,0]=4 3045 B18R1.13035 BrCCCCCCCCCCCCCOC1CC1 34a_100009812470_100000211595 [0,1,0,1,0,0|1,0,1]=4 3046 B18R1.13035 BrCCCCCCCCCCCCOCC1CC1 34a_100009813331_100000742324 [0,1,0,1,0,0|1,0,1]=4 3047 B18R1.13035 BrCCCCCCCCCCCCOCC1CC1 7a_100009813331_100000742324 [0,1,0,1,0,0|1,0,1]=4 3048 B18R1.13035 BrCCCCCCCCCCCOCCC1CC1 34a_100009812471_100000694398 [0,1,0,1,0,0|1,0,1]=4 3049 B18R1.13035 BrCCCCCCCCCCCOCCC1CC1 7a_100009812471_100000764125 [0,1,0,1,0,0|1,0,1]=4 3050 B18R1.13035 C=CCCCCCCCCCCCNCC1CC1 2230a_100000735609_102130925996 [0,1,0,1,0,0|1,0,0]=3 3051 B18R1.13035 C=CCCCCCCCCCCCNCC1CC1 34a_100000735609_102130925996 [0,1,0,1,0,0|1,0,0]=3 3052 B18R1.13035 C=CCCCCCCCCCCCOCC1CC1 34a_100000211283_102130925996 [0,1,0,1,0,0|1,0,0]=3 3053 B18R1.13035 C=CCCCCCCCCCCCSCC1CO1 62a_102125554688_102130925996 [0,1,0,1,0,0|2,0,0]=4 3054 B18R1.13035 C=CCCCCCCCCCCCSCC1CO1 62a_102130925996_102125554688 [0,1,0,1,0,0|2,0,0]=4 3055 B18R1.13035 C=CCCCCCCCCCCCSCC1CS1 62a_100000031435_102130925996 [0,1,0,1,0,0|2,0,0]=4 3056 B18R1.13035 C=CCCCCCCCCCCCSCC1CS1 62a_102130925996_100000031435 [0,1,0,1,0,0|2,0,0]=4 3057 B18R1.13035 C=CCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_102130925996 [0,1,0,1,0,0|2,0,0]=4 3058 B18R1.13035 C=CCCCCCCCCCCCSC[C@@H]1CO1 62a_102130925996_100000745022 [0,1,0,1,0,0|2,0,0]=4 3059 B18R1.13035 C=CCCCCCCCCCCNCCC1CC1 34a_100000764129_100011093070 [0,1,0,1,0,0|1,0,0]=3 3060 B18R1.13035 C=CCCCCCCCCCCOCCC1CC1 34a_100000754188_100011093070 [0,1,0,1,0,0|1,0,0]=3 3061 B18R1.13035 C=CCCCCCCCCCCOCCC1CC1 7a_100000754188_100011093070 [0,1,0,1,0,0|1,0,0]=3 3062 B18R1.13035 C=CCCCCCCCCCCSCCC1CO1 62a_100000732470_100011093070 [0,1,0,1,0,0|2,0,0]=4 3063 B18R1.13035 C=CCCCCCCCCCCSCCC1CO1 62a_100011093070_100000732470 [0,1,0,1,0,0|2,0,0]=4 3064 B18R1.13035 C=CCCCCCCCCCSCCCC1CO1 62a_100000733510_100009814027 [0,1,0,1,0,0|2,0,0]=4 3065 B18R1.13035 C=CCCCCCCCCCSCCCC1CO1 62a_100009814027_100000733510 [0,1,0,1,0,0|2,0,0]=4 3066 B18R1.13035 CCCCCCCCCCCCCCNC1CC1 34a_100000212008_100011215471 [0,1,0,1,0,0|1,0,1]=4 3067 B18R1.13035 CCCCCCCCCCCCCCNC1CC1 34a_100011217771_100000211595 [0,1,0,1,0,0|1,0,1]=4 3068 B18R1.13035 CCCCCCCCCCCCCCOC1CC1 34a_100000210739_100000211595 [0,1,0,1,0,0|1,0,1]=4 3069 B18R1.13035 CCCCCCCCCCCCCNCC1CC1 2230a_100000735609_100000210684 [0,1,0,1,0,0|1,0,1]=4 3070 B18R1.13035 CCCCCCCCCCCCCNCC1CC1 2230a_100011215765_100000742324 [0,1,0,1,0,0|1,0,1]=4 3071 B18R1.13035 CCCCCCCCCCCCCNCC1CC1 269862a_100011215765_100000741477 [0,1,0,1,0,0|1,0,1]=4 3072 B18R1.13035 CCCCCCCCCCCCCNCC1CC1 270004a_100000735609_200011215488 [0,1,0,1,0,0|1,0,1]=4 3073 B18R1.13035 CCCCCCCCCCCCCNCC1CC1 34a_100000735609_100000210684 [0,1,0,1,0,0|1,0,1]=4 3074 B18R1.13035 CCCCCCCCCCCCCNCC1CC1 34a_100011215765_100000742324 [0,1,0,1,0,0|1,0,1]=4 3075 B18R1.13035 CCCCCCCCCCCCCOCC1CC1 34a_100000185773_100000742324 [0,1,0,1,0,0|1,0,1]=4 3076 B18R1.13035 CCCCCCCCCCCCCOCC1CC1 34a_100000211283_100000210684 [0,1,0,1,0,0|1,0,1]=4 3077 B18R1.13035 CCCCCCCCCCCCCOCC1CC1 7a_100000185773_100000742324 [0,1,0,1,0,0|1,0,1]=4 3078 B18R1.13035 CCCCCCCCCCCCCOCC1CS1 7a_100000185773_100000031435 [0,1,0,1,0,0|0,1,1]=4 3079 B18R1.13035 CCCCCCCCCCCCCSCC1CO1 62a_102125554688_100011934334 [0,1,0,1,0,0|0,0,2]=4 3080 B18R1.13035 CCCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011934334 [0,1,0,1,0,0|0,0,2]=4 3081 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 2230a_100000210451_100000694398 [0,1,0,1,0,0|1,0,1]=4 3082 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 270004a_100000764129_100011218549 [0,1,0,1,0,0|1,0,1]=4 3083 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 34a_100000210451_100000694398 [0,1,0,1,0,0|1,0,1]=4 3084 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 34a_100000764129_100000759014 [0,1,0,1,0,0|1,0,1]=4 3085 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 34a_100000210810_100000694398 [0,1,0,1,0,0|1,0,1]=4 3086 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 34a_100000754188_100000759014 [0,1,0,1,0,0|1,0,1]=4 3087 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 7a_100000210810_100000764125 [0,1,0,1,0,0|1,0,1]=4 3088 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 7a_100000754188_100000759014 [0,1,0,1,0,0|1,0,1]=4 3089 B18R1.13035 CCCCCCCCCCCCSCCC1CO1 62a_100000732470_100000759014 [0,1,0,1,0,0|0,0,2]=4 3090 B18R1.13035 CCCCCCCCCCCSCCCC1CO1 62a_100000733510_100011215454 [0,1,0,1,0,0|0,0,2]=4 3091 B18R1.13035 OCCCCCCCCCCCCCSC1CC1 62a_100009812470_100000211595 [0,1,0,1,0,0|0,0,2]=4 3092 B18R1.13035 OCCCCCCCCCCCCSCC1CC1 62a_100009813331_100000742324 [0,1,0,1,0,0|0,0,2]=4 3093 B18R1.13035 OCCCCCCCCCCCSCCC1CC1 62a_100009812471_100000764125 [0,1,0,1,0,0|0,0,2]=4 3094 B18R1.17255 C=C(C)CSC1CCCCCCCCCCC1=O 62a_100000748629_200009990614 [0,1,0,1,0,0|1,0,1]=4 3095 B18R1.17255 C=C(C)CSC1CCCCCCCCCCC1=O 62a_200009990614_100000211660 [0,1,0,1,0,0|1,0,1]=4 3096 B18R1.17255 CC(C)CSC1CCCCCCCCCCC1=O 62a_100000210624_200009990614 [0,1,0,1,0,0|1,0,0]=3 3097 B18R1.17255 CC(C)CSC1CCCCCCCCCCC1=O 62a_200009990614_100000210760 [0,1,0,1,0,0|1,0,0]=3 3098 B18R1.21165 C=C(C)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000730704 [0,1,0,1,0,0|2,0,0]=4 3099 B18R1.21165 C=C(C)CCNC1CCCCCCCCCCC1 34a_100011194316_100000730704 [0,1,0,1,0,0|2,0,0]=4 3100 B18R1.21165 C=C(C)CCOC1CCCCCCCCCCC1 34a_100000211378_100000730704 [0,1,0,1,0,0|2,0,0]=4 3101 B18R1.21165 C=C(C)CCOC1CCCCCCCCCCC1 7a_100000211378_100000730704 [0,1,0,1,0,0|2,0,0]=4 3102 B18R1.21929 C=CCCCCCCCCN1CCCC1C(C)C 2230a_100000762757_100011933949 [0,1,0,1,0,0|2,0,0]=4 3103 B18R1.21929 C=CCCCCCCCCN1CCCC1C(C)C 269982a_100000762757_100011933949 [0,1,0,1,0,0|2,0,0]=4 3104 B18R1.21929 C=CCCCCCCCCN1CCCC1C(C)C 34a_100000762757_100011933949 [0,1,0,1,0,0|2,0,0]=4 3105 B18R1.22565 C=CCCCCCCN1CCCCCC1C(C)C 2230a_100000697956_100011215473 [0,1,0,1,0,0|2,0,0]=4 3106 B18R1.22565 C=CCCCCCCN1CCCCCC1C(C)C 269982a_100000697956_100011215473 [0,1,0,1,0,0|2,0,0]=4 3107 B18R1.22565 C=CCCCCCCN1CCCCCC1C(C)C 34a_100000697956_100011215473 [0,1,0,1,0,0|2,0,0]=4 3108 B18R1.35001 C=CCCCCCCCCCN1CCCC1(C)C 2230a_100000761399_100009814027 [0,1,0,1,0,0|2,0,0]=4 3109 B18R1.35001 C=CCCCCCCCCCN1CCCC1(C)C 269982a_100000761399_100009814027 [0,1,0,1,0,0|2,0,0]=4 3110 B18R1.35001 C=CCCCCCCCCCN1CCCC1(C)C 34a_100000761399_100009814027 [0,1,0,1,0,0|2,0,0]=4 3111 B18R1.35001 C=CCCCCCCCCOC1CCCC1(C)C 34a_100000726220_100011933949 [0,1,0,1,0,0|2,0,0]=4 3112 B18R1.35001 C=CCCCCCCCCOC1CCCC1(C)C 7a_100000726220_100011933949 [0,1,0,1,0,0|2,0,0]=4 3113 B18R1.37987 CNC1CCCCCCCCCCCCC(C1)C 270004a_106832991635_100016990464 [0,1,0,1,0,0|2,0,0]=4 3114 B18R1.172730 CN(C)C1CCCCCCCCCCCCCC1 270004a_100102631434_100000040017 [0,1,0,1,0,0|2,0,0]=4 3115 B18R1.252901 C=CCCCCCCCCCOCC1CC1(C)C 34a_100000728257_100009814027 [0,1,0,1,0,0|2,0,0]=4 3116 B18R1.252901 C=CCCCCCCCCCOCC1CC1(C)C 7a_100000728257_100009814027 [0,1,0,1,0,0|2,0,0]=4 3117 B18R1.1306 C=CCCCCCCC(=O)CCC1CCCCC1 1458a_100000211375_100011215473 [0,1,0,1,0,0|1,0,1]=4 3118 B18R1.1306 C=CCCCCCCC(=O)CCC1CCCCC1 1458a_100011809334_100011273959 [0,1,0,1,0,0|1,0,1]=4 3119 B18R1.1306 CCCCCCCCC(C)COC1C=CCCC1 7a_200012125181_100000751183 [0,1,0,1,0,0|2,0,0]=4 3120 B18R1.21875 C=CCCCCCCC(=O)CCCC1CCCC1 1458a_100011809334_100011713738 [0,1,0,1,0,0|1,0,1]=4 3121 B18R1.21875 C=CCCCCCCN(C)CCCC1CCCC1 2230a_100015186261_100011215473 [0,1,0,1,0,0|2,0,0]=4 3122 B18R1.21875 C=CCCCCCCN(C)CCCC1CCCC1 269982a_100015186261_100011215473 [0,1,0,1,0,0|2,0,0]=4 3123 B18R1.21875 C=CCCCCCCN(C)CCCC1CCCC1 34a_100015186261_100011215473 [0,1,0,1,0,0|2,0,0]=4 3124 B18R1.78149 C=CCCCCCCC(=O)CC1CCCCCC1 1458a_100000685095_100011215473 [0,1,0,1,0,0|1,0,1]=4 3125 B18R1.78149 C=CCCCCCCC(=O)CC1CCCCCC1 1458a_100011809334_200000696569 [0,1,0,1,0,0|1,0,1]=4 3126 B18R1.292 BrCCCCCCCCCCCOC1CCCC1 34a_100009812471_100000179811 [0,1,0,1,0,0|1,0,1]=4 3127 B18R1.292 BrCCCCCCCCCCCOC1CCCC1 7a_100009812471_100000179811 [0,1,0,1,0,0|1,0,1]=4 3128 B18R1.292 BrCCCCCCCCCCOCC1CCCC1 34a_100009813290_100000740388 [0,1,0,1,0,0|1,0,1]=4 3129 B18R1.292 BrCCCCCCCCCCOCC1CCCC1 7a_100009813290_100000740388 [0,1,0,1,0,0|1,0,1]=4 3130 B18R1.292 BrCCCCCCCCCOCCC1CCCC1 34a_100009813782_100000760354 [0,1,0,1,0,0|1,0,1]=4 3131 B18R1.292 BrCCCCCCCCCOCCC1CCCC1 7a_100009813782_100000760354 [0,1,0,1,0,0|1,0,1]=4 3132 B18R1.292 BrCCCCCCCCOCCCC1CCCC1 34a_100009813846_100011713738 [0,1,0,1,0,0|1,0,1]=4 3133 B18R1.292 BrCCCCCCCCOCCCC1CCCC1 7a_100009813846_100011713738 [0,1,0,1,0,0|1,0,1]=4 3134 B18R1.292 C#CCCCCCCCCCCOC1CCCC1 34a_100000054667_100000179811 [0,1,0,1,0,0|1,0,1]=4 3135 B18R1.292 C#CCCCCCCCCCCOC1CCCC1 7a_100000054667_100000179811 [0,1,0,1,0,0|1,0,1]=4 3136 B18R1.292 C#CCCCCCCCSCCCC1CCCC1 62a_100011713738_100153394163 [0,1,0,1,0,0|1,0,1]=4 3137 B18R1.292 C#CCCCCCCCSCCCC1CCCC1 62a_100153394163_100011713738 [0,1,0,1,0,0|1,0,1]=4 3138 B18R1.292 C=CCCCCCCCCCCCN1CCCC1 2230a_100000188435_102130925996 [0,1,0,1,0,0|1,0,0]=3 3139 B18R1.292 C=CCCCCCCCCCCCN1CCCC1 269982a_100000188435_102130925996 [0,1,0,1,0,0|1,0,0]=3 3140 B18R1.292 C=CCCCCCCCCCCCN1CCSC1 2230a_100011215254_102130925996 [0,1,0,1,0,0|2,0,0]=4 3141 B18R1.292 C=CCCCCCCCCCCCN1CCSC1 269982a_100011215254_102130925996 [0,1,0,1,0,0|2,0,0]=4 3142 B18R1.292 C=CCCCCCCCCCCNC1CCCC1 2230a_100000211070_100011093070 [0,1,0,1,0,0|1,0,0]=3 3143 B18R1.292 C=CCCCCCCCCCCNC1CCCC1 34a_100000211070_100011093070 [0,1,0,1,0,0|1,0,0]=3 3144 B18R1.292 C=CCCCCCCCCCCOC1CCCC1 34a_100000210269_100011093070 [0,1,0,1,0,0|1,0,0]=3 3145 B18R1.292 C=CCCCCCCCCCCOC1CCCC1 7a_100000210269_100011093070 [0,1,0,1,0,0|1,0,0]=3 3146 B18R1.292 C=CCCCCCCCCCCOC1CCSC1 7a_100011232664_100011093070 [0,1,0,1,0,0|2,0,0]=4 3147 B18R1.292 C=CCCCCCCCCCCSC1CCOC1 62a_100011093070_100000690089 [0,1,0,1,0,0|2,0,0]=4 3148 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 2230a_100000081888_100000740388 [0,1,0,1,0,0|1,0,0]=3 3149 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 2230a_100000737975_100009814027 [0,1,0,1,0,0|1,0,0]=3 3150 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 269862a_100000081888_100000746403 [0,1,0,1,0,0|1,0,0]=3 3151 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 34a_100000081888_100000740388 [0,1,0,1,0,0|1,0,0]=3 3152 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 34a_100000737975_100009814027 [0,1,0,1,0,0|1,0,0]=3 3153 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 34a_100000038209_100000740388 [0,1,0,1,0,0|1,0,0]=3 3154 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 34a_100000742336_100009814027 [0,1,0,1,0,0|1,0,0]=3 3155 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 7a_100000038209_100000740388 [0,1,0,1,0,0|1,0,0]=3 3156 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 7a_100000742336_100009814027 [0,1,0,1,0,0|1,0,0]=3 3157 B18R1.292 C=CCCCCCCCCCSCC1CCCO1 62a_100000203698_100009814027 [0,1,0,1,0,0|2,0,0]=4 3158 B18R1.292 C=CCCCCCCCCCSCC1CCCO1 62a_100009814027_100000203698 [0,1,0,1,0,0|2,0,0]=4 3159 B18R1.292 C=CCCCCCCCCCSCC1CCOC1 62a_100000702531_100009814027 [0,1,0,1,0,0|2,0,0]=4 3160 B18R1.292 C=CCCCCCCCCCSCC1CCOC1 62a_100009814027_100000702531 [0,1,0,1,0,0|2,0,0]=4 3161 B18R1.292 C=CCCCCCCCCNCCC1CCCC1 2230a_100000739158_100011933949 [0,1,0,1,0,0|1,0,0]=3 3162 B18R1.292 C=CCCCCCCCCNCCC1CCCC1 34a_100000739158_100011933949 [0,1,0,1,0,0|1,0,0]=3 3163 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 34a_100000749090_100011933949 [0,1,0,1,0,0|1,0,0]=3 3164 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 34a_100011215194_100000760354 [0,1,0,1,0,0|1,0,0]=3 3165 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 7a_100000749090_100011933949 [0,1,0,1,0,0|1,0,0]=3 3166 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 7a_100011215194_100000760354 [0,1,0,1,0,0|1,0,0]=3 3167 B18R1.292 C=CCCCCCCCNCCCC1CCCC1 2230a_100000736752_100012355270 [0,1,0,1,0,0|1,0,0]=3 3168 B18R1.292 C=CCCCCCCCNCCCC1CCCC1 34a_100000736752_100012355270 [0,1,0,1,0,0|1,0,0]=3 3169 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 34a_100000730831_100011713738 [0,1,0,1,0,0|1,0,0]=3 3170 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 34a_100011215328_100012355270 [0,1,0,1,0,0|1,0,0]=3 3171 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 7a_100000730831_100011713738 [0,1,0,1,0,0|1,0,0]=3 3172 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 7a_100011215328_100012355270 [0,1,0,1,0,0|1,0,0]=3 3173 B18R1.292 CCCCCCCCCCCCCN1CC=CC1 269982a_100015195280_100000210684 [0,1,0,1,0,0|1,0,1]=4 3174 B18R1.292 CCCCCCCCCCCCCN1CCCC1 2230a_100000188435_100000210684 [0,1,0,1,0,0|1,0,1]=4 3175 B18R1.292 CCCCCCCCCCCCCN1CCCC1 269982a_100000188435_100000210684 [0,1,0,1,0,0|1,0,1]=4 3176 B18R1.292 CCCCCCCCCCCCCN1CCCC1 270004a_100000188435_200011215488 [0,1,0,1,0,0|1,0,1]=4 3177 B18R1.292 CCCCCCCCCCCCCN1CCSC1 2230a_100011215254_100000210684 [0,1,0,1,0,0|2,0,0]=4 3178 B18R1.292 CCCCCCCCCCCCCN1CCSC1 269982a_100011215254_100000210684 [0,1,0,1,0,0|2,0,0]=4 3179 B18R1.292 CCCCCCCCCCCCCN1CCSC1 270004a_100011215254_200011215488 [0,1,0,1,0,0|2,0,0]=4 3180 B18R1.292 CCCCCCCCCCCCNC1CC=CC1 2230a_100015188752_100011215052 [0,1,0,1,0,0|1,0,1]=4 3181 B18R1.292 CCCCCCCCCCCCNC1CC=CC1 270004a_100015188752_100011218549 [0,1,0,1,0,0|1,0,1]=4 3182 B18R1.292 CCCCCCCCCCCCNC1CCCC1 2230a_100000210451_100000179811 [0,1,0,1,0,0|1,0,1]=4 3183 B18R1.292 CCCCCCCCCCCCNC1CCCC1 2230a_100000211070_100011215052 [0,1,0,1,0,0|1,0,1]=4 3184 B18R1.292 CCCCCCCCCCCCNC1CCCC1 270004a_100000210451_100000210133 [0,1,0,1,0,0|1,0,1]=4 3185 B18R1.292 CCCCCCCCCCCCNC1CCCC1 270004a_100000211070_100011218549 [0,1,0,1,0,0|1,0,1]=4 3186 B18R1.292 CCCCCCCCCCCCNC1CCCC1 34a_100000210451_100000179811 [0,1,0,1,0,0|1,0,1]=4 3187 B18R1.292 CCCCCCCCCCCCNC1CCCC1 34a_100000211070_100000759014 [0,1,0,1,0,0|1,0,1]=4 3188 B18R1.292 CCCCCCCCCCCCNC1CCSC1 270004a_100000210451_100000212027 [0,1,0,1,0,0|2,0,0]=4 3189 B18R1.292 CCCCCCCCCCCCOC1CCCC1 34a_100000210269_100000759014 [0,1,0,1,0,0|1,0,1]=4 3190 B18R1.292 CCCCCCCCCCCCOC1CCCC1 34a_100000210810_100000179811 [0,1,0,1,0,0|1,0,1]=4 3191 B18R1.292 CCCCCCCCCCCCOC1CCCC1 7a_100000210269_100000759014 [0,1,0,1,0,0|1,0,1]=4 3192 B18R1.292 CCCCCCCCCCCCOC1CCCC1 7a_100000210810_100000179811 [0,1,0,1,0,0|1,0,1]=4 3193 B18R1.292 CCCCCCCCCCCCOC1CCCO1 34a_100000085407_100000759014 [0,1,0,1,0,0|0,0,2]=4 3194 B18R1.292 CCCCCCCCCCCCOC1CCSC1 7a_100011232664_100000759014 [0,1,0,1,0,0|2,0,0]=4 3195 B18R1.292 CCCCCCCCCCCNCC1CCCC1 2230a_100000737975_100011215454 [0,1,0,1,0,0|1,0,1]=4 3196 B18R1.292 CCCCCCCCCCCNCC1CCCC1 2230a_200011215754_100000740388 [0,1,0,1,0,0|1,0,1]=4 3197 B18R1.292 CCCCCCCCCCCNCC1CCCC1 269862a_200011215754_100000746403 [0,1,0,1,0,0|1,0,1]=4 3198 B18R1.292 CCCCCCCCCCCNCC1CCCC1 34a_100000737975_100011215454 [0,1,0,1,0,0|1,0,1]=4 3199 B18R1.292 CCCCCCCCCCCNCC1CCCC1 34a_200011215754_100000740388 [0,1,0,1,0,0|1,0,1]=4 3200 B18R1.292 CCCCCCCCCCCOCC1CC=CC1 34a_100000688395_100011215454 [0,1,0,1,0,0|1,0,1]=4 3201 B18R1.292 CCCCCCCCCCCOCC1CCCC1 34a_100000210809_100000740388 [0,1,0,1,0,0|1,0,1]=4 3202 B18R1.292 CCCCCCCCCCCOCC1CCCC1 34a_100000742336_100011215454 [0,1,0,1,0,0|1,0,1]=4 3203 B18R1.292 CCCCCCCCCCCOCC1CCCC1 7a_100000210809_100000740388 [0,1,0,1,0,0|1,0,1]=4 3204 B18R1.292 CCCCCCCCCCCOCC1CCCC1 7a_100000742336_100011215454 [0,1,0,1,0,0|1,0,1]=4 3205 B18R1.292 CCCCCCCCCCCSCC1CCCO1 62a_100000203698_100011215454 [0,1,0,1,0,0|0,0,2]=4 3206 B18R1.292 CCCCCCCCCCCSCC1CCOC1 62a_100000702531_100011215454 [0,1,0,1,0,0|2,0,0]=4 3207 B18R1.292 CCCCCCCCCCNCCC1CCCC1 2230a_100000684558_100000760354 [0,1,0,1,0,0|1,0,1]=4 3208 B18R1.292 CCCCCCCCCCNCCC1CCCC1 2230a_100000739158_100000210320 [0,1,0,1,0,0|1,0,1]=4 3209 B18R1.292 CCCCCCCCCCNCCC1CCCC1 34a_100000684558_100000760354 [0,1,0,1,0,0|1,0,1]=4 3210 B18R1.292 CCCCCCCCCCNCCC1CCCC1 34a_100000739158_100000210320 [0,1,0,1,0,0|1,0,1]=4 3211 B18R1.292 CCCCCCCCCCOCCC1CCCC1 34a_100000210711_100000760354 [0,1,0,1,0,0|1,0,1]=4 3212 B18R1.292 CCCCCCCCCCOCCC1CCCC1 34a_100000749090_100000210320 [0,1,0,1,0,0|1,0,1]=4 3213 B18R1.292 CCCCCCCCCCOCCC1CCCC1 7a_100000210711_100000760354 [0,1,0,1,0,0|1,0,1]=4 3214 B18R1.292 CCCCCCCCCCOCCC1CCCC1 7a_100000749090_100000210320 [0,1,0,1,0,0|1,0,1]=4 3215 B18R1.292 CCCCCCCCCNCCCC1CCCC1 2230a_100000212291_100011713738 [0,1,0,1,0,0|1,0,1]=4 3216 B18R1.292 CCCCCCCCCNCCCC1CCCC1 2230a_100000736752_100011214924 [0,1,0,1,0,0|1,0,1]=4 3217 B18R1.292 CCCCCCCCCNCCCC1CCCC1 34a_100000212291_100011713738 [0,1,0,1,0,0|1,0,1]=4 3218 B18R1.292 CCCCCCCCCNCCCC1CCCC1 34a_100000736752_100011214924 [0,1,0,1,0,0|1,0,1]=4 3219 B18R1.292 CCCCCCCCCOCCCC1CCCC1 34a_100000210712_100011713738 [0,1,0,1,0,0|1,0,1]=4 3220 B18R1.292 CCCCCCCCCOCCCC1CCCC1 34a_100011215328_100011214924 [0,1,0,1,0,0|1,0,1]=4 3221 B18R1.292 CCCCCCCCCOCCCC1CCCC1 7a_100000210712_100011713738 [0,1,0,1,0,0|1,0,1]=4 3222 B18R1.292 CCCCCCCCCOCCCC1CCCC1 7a_100011215328_100000210328 [0,1,0,1,0,0|1,0,1]=4 3223 B18R1.292 ClCCCCCCCCCCOCC1CCCC1 34a_200000033068_100000740388 [0,1,0,1,0,0|1,0,1]=4 3224 B18R1.292 ClCCCCCCCCCCOCC1CCCC1 7a_200000033068_100000740388 [0,1,0,1,0,0|1,0,1]=4 3225 B18R1.292 ClCCCCCCCCCOCCC1CCCC1 34a_100009868337_100000760354 [0,1,0,1,0,0|1,0,1]=4 3226 B18R1.292 ClCCCCCCCCCOCCC1CCCC1 7a_100009868337_100000760354 [0,1,0,1,0,0|1,0,1]=4 3227 B18R1.292 ClCCCCCCCCOCCCC1CCCC1 34a_100000033203_100011713738 [0,1,0,1,0,0|1,0,1]=4 3228 B18R1.292 ClCCCCCCCCOCCCC1CCCC1 7a_100000033203_100011713738 [0,1,0,1,0,0|1,0,1]=4 3229 B18R1.292 OCCCCCCCCCCCSC1CCCC1 62a_100009812471_100000179811 [0,1,0,1,0,0|0,0,2]=4 3230 B18R1.292 OCCCCCCCCCCSCC1CCCC1 62a_100000740388_200000033068 [0,1,0,1,0,0|0,0,2]=4 3231 B18R1.292 OCCCCCCCCCCSCC1CCCC1 62a_100009813290_100000740388 [0,1,0,1,0,0|0,0,2]=4 3232 B18R1.292 OCCCCCCCCCSCCC1CCCC1 62a_100000760354_100009813782 [0,1,0,1,0,0|0,0,2]=4 3233 B18R1.292 OCCCCCCCCCSCCC1CCCC1 62a_100009813782_100000760354 [0,1,0,1,0,0|0,0,2]=4 3234 B18R1.292 OCCCCCCCCSCCCC1CCCC1 62a_100000033203_100011713738 [0,1,0,1,0,0|0,0,2]=4 3235 B18R1.292 OCCCCCCCCSCCCC1CCCC1 62a_100011713738_100000033203 [0,1,0,1,0,0|0,0,2]=4 3236 B18R1.317 C=CCCCCCCCCCN1CCCCC1C 2230a_100000211376_100009814027 [0,1,0,1,0,0|1,0,0]=3 3237 B18R1.317 C=CCCCCCCCCCN1CCCCC1C 269982a_100000211376_100009814027 [0,1,0,1,0,0|1,0,0]=3 3238 B18R1.317 C=CCCCCCCCCCN1CCCCC1C 34a_100000211376_100009814027 [0,1,0,1,0,0|1,0,0]=3 3239 B18R1.317 C=CCCCCCCCCNC1CCCCC1C 2230a_100000211402_100011933949 [0,1,0,1,0,0|1,0,0]=3 3240 B18R1.317 C=CCCCCCCCCNC1CCCCC1C 34a_100000211402_100011933949 [0,1,0,1,0,0|1,0,0]=3 3241 B18R1.317 C=CCCCCCCCCOC1CCCCC1C 34a_100000211207_100011933949 [0,1,0,1,0,0|1,0,0]=3 3242 B18R1.317 C=CCCCCCCCCOC1CCCCC1C 7a_100000211207_100011933949 [0,1,0,1,0,0|1,0,0]=3 3243 B18R1.317 C=CCCCCCCCCOC1CCCCC1Cl 34a_100000038908_100011933949 [0,1,0,1,0,0|2,0,0]=4 3244 B18R1.317 C=CCCCCCCCCOC1CCCCC1Cl 7a_100000038908_100011933949 [0,1,0,1,0,0|2,0,0]=4 3245 B18R1.317 C=CCCCCCCCCOC1CCCCC1F 34a_100011215194_100015423560 [0,1,0,1,0,0|2,0,0]=4 3246 B18R1.317 C=CCCCCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011933949 [0,1,0,1,0,0|2,0,0]=4 3247 B18R1.317 C=CCCCCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011933949 [0,1,0,1,0,0|2,0,0]=4 3248 B18R1.317 C=CCCCCCCCCSC1CCCCC1=O 62a_100000204591_100011933949 [0,1,0,1,0,0|0,0,2]=4 3249 B18R1.317 C=CCCCCCCCCSC1CCCCC1=O 62a_100011933949_100000204591 [0,1,0,1,0,0|0,0,2]=4 3250 B18R1.317 C=CCCCCCCCCSC1CCCCC1F 62a_100011933949_100015423560 [0,1,0,1,0,0|2,0,0]=4 3251 B18R1.317 C=CCCCCCCCCSC1CCCCC1F 62a_100015423560_100011933949 [0,1,0,1,0,0|2,0,0]=4 3252 B18R1.317 CCCCCCCCCCCN1CCCCC1C 2230a_100000211376_100011215454 [0,1,0,1,0,0|1,0,1]=4 3253 B18R1.317 CCCCCCCCCCCN1CCCCC1C 269982a_100000211376_100011215454 [0,1,0,1,0,0|1,0,1]=4 3254 B18R1.317 CCCCCCCCCCCN1CCCCC1C 34a_100000211376_100011215454 [0,1,0,1,0,0|1,0,1]=4 3255 B18R1.317 CCCCCCCCCCNC1CCCCC1C 2230a_100000211402_100000210320 [0,1,0,1,0,0|1,0,1]=4 3256 B18R1.317 CCCCCCCCCCNC1CCCCC1C 269862a_100000684558_100000210921 [0,1,0,1,0,0|1,0,1]=4 3257 B18R1.317 CCCCCCCCCCNC1CCCCC1C 270004a_100000684558_100000210921 [0,1,0,1,0,0|1,0,1]=4 3258 B18R1.317 CCCCCCCCCCNC1CCCCC1C 34a_100000211402_100000210320 [0,1,0,1,0,0|1,0,1]=4 3259 B18R1.317 CCCCCCCCCCNC1CCCCC1F 34a_100000684558_100015423560 [0,1,0,1,0,0|1,0,1]=4 3260 B18R1.317 CCCCCCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210320 [0,1,0,1,0,0|1,0,1]=4 3261 B18R1.317 CCCCCCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210320 [0,1,0,1,0,0|1,0,1]=4 3262 B18R1.317 CCCCCCCCCCOC1CCCCC1C 34a_100000211207_100000210320 [0,1,0,1,0,0|1,0,1]=4 3263 B18R1.317 CCCCCCCCCCOC1CCCCC1C 7a_100000211207_100000210320 [0,1,0,1,0,0|1,0,1]=4 3264 B18R1.317 CCCCCCCCCCOC1CCCCC1Cl 34a_100000038908_100000210320 [0,1,0,1,0,0|1,0,1]=4 3265 B18R1.317 CCCCCCCCCCOC1CCCCC1Cl 7a_100000038908_100000210320 [0,1,0,1,0,0|1,0,1]=4 3266 B18R1.317 CCCCCCCCCCOC1CCCCC1F 34a_100000210711_100015423560 [0,1,0,1,0,0|1,0,1]=4 3267 B18R1.317 CCCCCCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210320 [0,1,0,1,0,0|1,0,1]=4 3268 B18R1.317 CCCCCCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210320 [0,1,0,1,0,0|1,0,1]=4 3269 B18R1.317 CCCCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210320 [0,1,0,1,0,0|0,0,0]=2 3270 B18R1.317 CCCCCCCCCCSC1CCCCC1O 62a_100000038908_100000210320 [0,1,0,1,0,0|0,0,2]=4 3271 B18R1.318 C=CCCCCCCCCCN1CCCC1CC 2230a_100000754278_100009814027 [0,1,0,1,0,0|1,0,0]=3 3272 B18R1.318 C=CCCCCCCCCCN1CCCC1CC 269982a_100000754278_100009814027 [0,1,0,1,0,0|1,0,0]=3 3273 B18R1.318 C=CCCCCCCCCCN1CCCC1CC 34a_100000754278_100009814027 [0,1,0,1,0,0|1,0,0]=3 3274 B18R1.318 CCCCCCCCCCCN1CCCC1CC 2230a_100000754278_100011215454 [0,1,0,1,0,0|1,0,1]=4 3275 B18R1.318 CCCCCCCCCCCN1CCCC1CC 269982a_100000754278_100011215454 [0,1,0,1,0,0|1,0,1]=4 3276 B18R1.318 CCCCCCCCCCCN1CCCC1CC 34a_100000754278_100011215454 [0,1,0,1,0,0|1,0,1]=4 3277 B18R1.318 CCCCCCCCCCNC1CCCC1CC 269862a_100000684558_100000749056 [0,1,0,1,0,0|1,0,1]=4 3278 B18R1.318 CCCCCCCCCCNC1CCCC1CC 270004a_100000684558_100000749056 [0,1,0,1,0,0|1,0,1]=4 3279 B18R1.1261 BrCCCCCCCCCCOC1C=CCCC1 7a_100009813290_100000751183 [0,1,0,1,0,0|2,0,0]=4 3280 B18R1.1261 BrCCCCCCCCCCOC1CCCCC1 34a_100009813290_100000210327 [0,1,0,1,0,0|1,0,1]=4 3281 B18R1.1261 BrCCCCCCCCCCOC1CCCCC1 7a_100009813290_100000210327 [0,1,0,1,0,0|1,0,1]=4 3282 B18R1.1261 BrCCCCCCCCCOCC1CCCCC1 34a_100009813782_100000211423 [0,1,0,1,0,0|1,0,1]=4 3283 B18R1.1261 BrCCCCCCCCCOCC1CCCCC1 7a_100009813782_100000211423 [0,1,0,1,0,0|1,0,1]=4 3284 B18R1.1261 BrCCCCCCCCOCCC1CCCCC1 34a_100009813846_100011209188 [0,1,0,1,0,0|1,0,1]=4 3285 B18R1.1261 BrCCCCCCCCOCCC1CCCCC1 7a_100009813846_100011273959 [0,1,0,1,0,0|1,0,1]=4 3286 B18R1.1261 BrCCCCCCCOCCCC1CCCCC1 34a_100000760002_100011713725 [0,1,0,1,0,0|1,0,1]=4 3287 B18R1.1261 BrCCCCCCCOCCCC1CCCCC1 7a_100000760002_100011713725 [0,1,0,1,0,0|1,0,1]=4 3288 B18R1.1261 C#CCCCCCCCCCOC1CCCCC1 34a_100000034437_100000210327 [0,1,0,1,0,0|1,0,1]=4 3289 B18R1.1261 C#CCCCCCCCCCOC1CCCCC1 7a_100000034437_100000210327 [0,1,0,1,0,0|1,0,1]=4 3290 B18R1.1261 C#CCCCCCCCSCCC1CCCCC1 62a_100012355289_100153394163 [0,1,0,1,0,0|1,0,1]=4 3291 B18R1.1261 C#CCCCCCCCSCCC1CCCCC1 62a_100153394163_100012355289 [0,1,0,1,0,0|1,0,1]=4 3292 B18R1.1261 C#CCCCCCCSCCCC1CCCCC1 62a_100011713725_100012276617 [0,1,0,1,0,0|1,0,1]=4 3293 B18R1.1261 C#CCCCCCCSCCCC1CCCCC1 62a_100012276617_100011713725 [0,1,0,1,0,0|1,0,1]=4 3294 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 2230a_100000182618_100009814027 [0,1,0,1,0,0|1,0,0]=3 3295 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 270004a_100000081888_100000210434 [0,1,0,1,0,0|1,0,0]=3 3296 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 34a_100000081888_100000210327 [0,1,0,1,0,0|1,0,0]=3 3297 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 34a_100000182618_100009814027 [0,1,0,1,0,0|1,0,0]=3 3298 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 34a_100000038209_100000210327 [0,1,0,1,0,0|1,0,0]=3 3299 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 34a_100000210231_100009814027 [0,1,0,1,0,0|1,0,0]=3 3300 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 7a_100000038209_100000210327 [0,1,0,1,0,0|1,0,0]=3 3301 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 7a_100000210231_100009814027 [0,1,0,1,0,0|1,0,0]=3 3302 B18R1.1261 C=CCCCCCCCCCOC1CCCSC1 7a_100015962668_100009814027 [0,1,0,1,0,0|2,0,0]=4 3303 B18R1.1261 C=CCCCCCCCCCOC1CCSCC1 34a_100000038209_100000069128 [0,1,0,1,0,0|2,0,0]=4 3304 B18R1.1261 C=CCCCCCCCCCOC1CCSCC1 34a_100000731022_100009814027 [0,1,0,1,0,0|2,0,0]=4 3305 B18R1.1261 C=CCCCCCCCCCOC1CCSCC1 7a_100000038209_100011500858 [0,1,0,1,0,0|2,0,0]=4 3306 B18R1.1261 C=CCCCCCCCCCOC1CCSCC1 7a_100000731022_100009814027 [0,1,0,1,0,0|2,0,0]=4 3307 B18R1.1261 C=CCCCCCCCCCSC1CCCOC1 62a_100009814027_100000693364 [0,1,0,1,0,0|2,0,0]=4 3308 B18R1.1261 C=CCCCCCCCCCSC1CCOCC1 62a_100009814027_100011324220 [0,1,0,1,0,0|2,0,0]=4 3309 B18R1.1261 C=CCCCCCCCCCSC1CCSCC1 62a_100009814027_100000069128 [0,1,0,1,0,0|2,0,0]=4 3310 B18R1.1261 C=CCCCCCCCCNCC1CCCCC1 2230a_100000210473_100011933949 [0,1,0,1,0,0|1,0,0]=3 3311 B18R1.1261 C=CCCCCCCCCNCC1CCCCC1 34a_100000210473_100011933949 [0,1,0,1,0,0|1,0,0]=3 3312 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 34a_100000212181_100011933949 [0,1,0,1,0,0|1,0,0]=3 3313 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 34a_100011215194_100000211423 [0,1,0,1,0,0|1,0,0]=3 3314 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 7a_100000212181_100011933949 [0,1,0,1,0,0|1,0,0]=3 3315 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 7a_100011215194_100000211423 [0,1,0,1,0,0|1,0,0]=3 3316 B18R1.1261 C=CCCCCCCCCOCC1CCSCC1 34a_100000070558_100011933949 [0,1,0,1,0,0|2,0,0]=4 3317 B18R1.1261 C=CCCCCCCCCOCC1CCSCC1 7a_100000070558_100011933949 [0,1,0,1,0,0|2,0,0]=4 3318 B18R1.1261 C=CCCCCCCCCSCC1CCCCO1 62a_100000211543_100011933949 [0,1,0,1,0,0|2,0,0]=4 3319 B18R1.1261 C=CCCCCCCCCSCC1CCCCO1 62a_100011933949_100000211543 [0,1,0,1,0,0|2,0,0]=4 3320 B18R1.1261 C=CCCCCCCCCSCC1CCCOC1 62a_100000741521_100011933949 [0,1,0,1,0,0|2,0,0]=4 3321 B18R1.1261 C=CCCCCCCCCSCC1CCCOC1 62a_100011933949_100000741521 [0,1,0,1,0,0|2,0,0]=4 3322 B18R1.1261 C=CCCCCCCCCSCC1CCOCC1 62a_100000754603_100011933949 [0,1,0,1,0,0|2,0,0]=4 3323 B18R1.1261 C=CCCCCCCCCSCC1CCOCC1 62a_100011933949_100000749018 [0,1,0,1,0,0|2,0,0]=4 3324 B18R1.1261 C=CCCCCCCCNCCC1CCCCC1 2230a_100000738074_100012355270 [0,1,0,1,0,0|1,0,0]=3 3325 B18R1.1261 C=CCCCCCCCNCCC1CCCCC1 34a_100000738074_100012355270 [0,1,0,1,0,0|1,0,0]=3 3326 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 34a_100000730831_100011209188 [0,1,0,1,0,0|1,0,0]=3 3327 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 34a_100011217863_100012355270 [0,1,0,1,0,0|1,0,0]=3 3328 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 7a_100000730831_100011273959 [0,1,0,1,0,0|1,0,0]=3 3329 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 7a_100011217863_100012355270 [0,1,0,1,0,0|1,0,0]=3 3330 B18R1.1261 C=CCCCCCCCSCCC1CCOCC1 62a_100011934994_100012355270 [0,1,0,1,0,0|2,0,0]=4 3331 B18R1.1261 C=CCCCCCCCSCCC1CCOCC1 62a_100012355270_100011934994 [0,1,0,1,0,0|2,0,0]=4 3332 B18R1.1261 C=CCCCCCCCSCOC1CCCCC1 62a_100011935260_100012355270 [0,1,0,1,0,0|2,0,0]=4 3333 B18R1.1261 C=CCCCCCCCSCOC1CCCCC1 62a_100012355270_100011935260 [0,1,0,1,0,0|2,0,0]=4 3334 B18R1.1261 C=CCCCCCCNCCCC1CCCCC1 2230a_100011211642_100011215473 [0,1,0,1,0,0|1,0,0]=3 3335 B18R1.1261 C=CCCCCCCNCCCC1CCCCC1 34a_100011211642_100011215473 [0,1,0,1,0,0|1,0,0]=3 3336 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 34a_100000198086_100011215473 [0,1,0,1,0,0|1,0,0]=3 3337 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 34a_200011216477_100011713725 [0,1,0,1,0,0|1,0,0]=3 3338 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 7a_100000198086_100011215473 [0,1,0,1,0,0|1,0,0]=3 3339 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 7a_200011216477_100011713725 [0,1,0,1,0,0|1,0,0]=3 3340 B18R1.1261 C=CCCCCCCSCCOC1CCCCC1 62a_100011211530_100011215473 [0,1,0,1,0,0|2,0,0]=4 3341 B18R1.1261 C=CCCCCCCSCCOC1CCCCC1 62a_100011215473_100011211530 [0,1,0,1,0,0|2,0,0]=4 3342 B18R1.1261 C=CCCCCCOCCCCC1CCCCC1 34a_100011215267_100000700193 [0,1,0,1,0,0|1,0,0]=3 3343 B18R1.1261 C=CCCCCCOCCCCC1CCCCC1 7a_100011215267_100000700193 [0,1,0,1,0,0|1,0,0]=3 3344 B18R1.1261 CCCCCCCCCCCCN1CC=CCC1 2230a_100000698166_100011215052 [0,1,0,1,0,0|1,0,1]=4 3345 B18R1.1261 CCCCCCCCCCCCN1CC=CCC1 269982a_100000698166_100000759014 [0,1,0,1,0,0|1,0,1]=4 3346 B18R1.1261 CCCCCCCCCCCCN1CC=CCC1 270004a_100000698166_100011218549 [0,1,0,1,0,0|1,0,1]=4 3347 B18R1.1261 CCCCCCCCCCCCN1CC=CCC1 34a_100000698166_100000759014 [0,1,0,1,0,0|1,0,1]=4 3348 B18R1.1261 CCCCCCCCCCCNC1C=CCCC1 2230a_200011215754_100000751183 [0,1,0,1,0,0|1,0,0]=3 3349 B18R1.1261 CCCCCCCCCCCNC1CCCCC1 2230a_100000182618_100011215454 [0,1,0,1,0,0|1,0,1]=4 3350 B18R1.1261 CCCCCCCCCCCNC1CCCCC1 270004a_200011215754_100000210434 [0,1,0,1,0,0|1,0,1]=4 3351 B18R1.1261 CCCCCCCCCCCNC1CCCCC1 34a_100000182618_100011215454 [0,1,0,1,0,0|1,0,1]=4 3352 B18R1.1261 CCCCCCCCCCCNC1CCCCC1 34a_200011215754_100000210327 [0,1,0,1,0,0|1,0,1]=4 3353 B18R1.1261 CCCCCCCCCCCNC1CCCSC1 270004a_200011215754_100000057913 [0,1,0,1,0,0|2,0,0]=4 3354 B18R1.1261 CCCCCCCCCCCOC1C=CCCC1 34a_100011215024_100011215454 [0,1,0,1,0,0|1,0,0]=3 3355 B18R1.1261 CCCCCCCCCCCOC1C=CCCC1 7a_100000210809_100000751183 [0,1,0,1,0,0|1,0,0]=3 3356 B18R1.1261 CCCCCCCCCCCOC1CC=CCC1 34a_100000073881_100011215454 [0,1,0,1,0,0|1,0,1]=4 3357 B18R1.1261 CCCCCCCCCCCOC1CCCCC1 34a_100000210231_100011215454 [0,1,0,1,0,0|1,0,1]=4 3358 B18R1.1261 CCCCCCCCCCCOC1CCCCC1 34a_100000210809_100000210327 [0,1,0,1,0,0|1,0,1]=4 3359 B18R1.1261 CCCCCCCCCCCOC1CCCCC1 7a_100000210231_100011215454 [0,1,0,1,0,0|1,0,1]=4 3360 B18R1.1261 CCCCCCCCCCCOC1CCCCC1 7a_100000210809_100000210327 [0,1,0,1,0,0|1,0,1]=4 3361 B18R1.1261 CCCCCCCCCCCOC1CCCCO1 34a_100000033831_100011215454 [0,1,0,1,0,0|0,0,2]=4 3362 B18R1.1261 CCCCCCCCCCCOC1CCCSC1 7a_100015962668_100011215454 [0,1,0,1,0,0|2,0,0]=4 3363 B18R1.1261 CCCCCCCCCCNCC1CC=CCC1 270004a_100000684558_100000189434 [0,1,0,1,0,0|1,0,1]=4 3364 B18R1.1261 CCCCCCCCCCNCC1CCCCC1 2230a_100000210473_100000210320 [0,1,0,1,0,0|1,0,1]=4 3365 B18R1.1261 CCCCCCCCCCNCC1CCCCC1 2230a_100000684558_100000211423 [0,1,0,1,0,0|1,0,1]=4 3366 B18R1.1261 CCCCCCCCCCNCC1CCCCC1 269862a_100000684558_100000211278 [0,1,0,1,0,0|1,0,1]=4 3367 B18R1.1261 CCCCCCCCCCNCC1CCCCC1 34a_100000210473_100000210320 [0,1,0,1,0,0|1,0,1]=4 3368 B18R1.1261 CCCCCCCCCCNCC1CCCCC1 34a_100000684558_100000211423 [0,1,0,1,0,0|1,0,1]=4 3369 B18R1.1261 CCCCCCCCCCOCC1CC=CCC1 34a_100000210713_100000210320 [0,1,0,1,0,0|1,0,1]=4 3370 B18R1.1261 CCCCCCCCCCOCC1CCCCC1 34a_100000210711_100000211423 [0,1,0,1,0,0|1,0,1]=4 3371 B18R1.1261 CCCCCCCCCCOCC1CCCCC1 34a_100000212181_100000210320 [0,1,0,1,0,0|1,0,1]=4 3372 B18R1.1261 CCCCCCCCCCOCC1CCCCC1 7a_100000210711_100000211423 [0,1,0,1,0,0|1,0,1]=4 3373 B18R1.1261 CCCCCCCCCCOCC1CCCCC1 7a_100000212181_100000210320 [0,1,0,1,0,0|1,0,1]=4 3374 B18R1.1261 CCCCCCCCCCSCC1CCCCO1 62a_100000211543_100000210320 [0,1,0,1,0,0|0,0,2]=4 3375 B18R1.1261 CCCCCCCCCCSCC1CCCOC1 62a_100000741521_100000210320 [0,1,0,1,0,0|2,0,0]=4 3376 B18R1.1261 CCCCCCCCCNCCC1CCCCC1 2230a_100000212291_100012355289 [0,1,0,1,0,0|1,0,1]=4 3377 B18R1.1261 CCCCCCCCCNCCC1CCCCC1 2230a_100000738074_100011214924 [0,1,0,1,0,0|1,0,1]=4 3378 B18R1.1261 CCCCCCCCCNCCC1CCCCC1 270004a_100000212291_100011713444 [0,1,0,1,0,0|1,0,1]=4 3379 B18R1.1261 CCCCCCCCCNCCC1CCCCC1 34a_100000212291_100011209188 [0,1,0,1,0,0|1,0,1]=4 3380 B18R1.1261 CCCCCCCCCNCCC1CCCCC1 34a_100000738074_100011214924 [0,1,0,1,0,0|1,0,1]=4 3381 B18R1.1261 CCCCCCCCCOCCC1CCCCC1 34a_100000210712_100011209188 [0,1,0,1,0,0|1,0,1]=4 3382 B18R1.1261 CCCCCCCCCOCCC1CCCCC1 34a_100011217863_100011214924 [0,1,0,1,0,0|1,0,1]=4 3383 B18R1.1261 CCCCCCCCCOCCC1CCCCC1 7a_100000210712_100011273959 [0,1,0,1,0,0|1,0,1]=4 3384 B18R1.1261 CCCCCCCCCOCCC1CCCCC1 7a_100011217863_100000210328 [0,1,0,1,0,0|1,0,1]=4 3385 B18R1.1261 CCCCCCCCNCCCC1CCCCC1 2230a_100000229939_100011713725 [0,1,0,1,0,0|1,0,1]=4 3386 B18R1.1261 CCCCCCCCNCCCC1CCCCC1 2230a_100011211642_100000210759 [0,1,0,1,0,0|1,0,1]=4 3387 B18R1.1261 CCCCCCCCNCCCC1CCCCC1 34a_100000229939_100011713725 [0,1,0,1,0,0|1,0,1]=4 3388 B18R1.1261 CCCCCCCCNCCCC1CCCCC1 34a_100011211642_100000210759 [0,1,0,1,0,0|1,0,1]=4 3389 B18R1.1261 CCCCCCCCOCCCC1CCCCC1 34a_100000198086_100000210759 [0,1,0,1,0,0|1,0,1]=4 3390 B18R1.1261 CCCCCCCCOCCCC1CCCCC1 34a_100000210232_100011713725 [0,1,0,1,0,0|1,0,1]=4 3391 B18R1.1261 CCCCCCCCOCCCC1CCCCC1 7a_100000198086_100000210759 [0,1,0,1,0,0|1,0,1]=4 3392 B18R1.1261 CCCCCCCCOCCCC1CCCCC1 7a_100000210232_100011713725 [0,1,0,1,0,0|1,0,1]=4 3393 B18R1.1261 CCCCCCCOCCCCC1CCCCC1 34a_100011215267_100000210614 [0,1,0,1,0,0|1,0,1]=4 3394 B18R1.1261 CCCCCCCOCCCCC1CCCCC1 7a_100011215267_100000210614 [0,1,0,1,0,0|1,0,1]=4 3395 B18R1.1261 COCCCCCCSCCCC1CCCCC1 62a_100011713725_100011998445 [0,1,0,1,0,0|2,0,0]=4 3396 B18R1.1261 COCCCCCCSCCCC1CCCCC1 62a_100011998445_100011713725 [0,1,0,1,0,0|2,0,0]=4 3397 B18R1.1261 ClCCCCCCCCCCOC1C=CCCC1 7a_200000033068_100000751183 [0,1,0,1,0,0|2,0,0]=4 3398 B18R1.1261 ClCCCCCCCCCCOC1CCCCC1 34a_200000033068_100000210327 [0,1,0,1,0,0|1,0,1]=4 3399 B18R1.1261 ClCCCCCCCCCCOC1CCCCC1 7a_200000033068_100000210327 [0,1,0,1,0,0|1,0,1]=4 3400 B18R1.1261 ClCCCCCCCCCOCC1CCCCC1 34a_100009868337_100000211423 [0,1,0,1,0,0|1,0,1]=4 3401 B18R1.1261 ClCCCCCCCCCOCC1CCCCC1 7a_100009868337_100000211423 [0,1,0,1,0,0|1,0,1]=4 3402 B18R1.1261 ClCCCCCCCCOCCC1CCCCC1 34a_100000033203_100011209188 [0,1,0,1,0,0|1,0,1]=4 3403 B18R1.1261 ClCCCCCCCCOCCC1CCCCC1 7a_100000033203_100011273959 [0,1,0,1,0,0|1,0,1]=4 3404 B18R1.1261 FCCCCCCOCCCCC1CCCCC1 34a_100011215267_100015922095 [0,1,0,1,0,0|1,0,1]=4 3405 B18R1.1261 FCCCCCCOCCCCC1CCCCC1 7a_100011215267_100015922095 [0,1,0,1,0,0|1,0,1]=4 3406 B18R1.1261 N#CCCCCCCSCCCC1CCCCC1 62a_100009813337_100011713725 [0,1,0,1,0,0|1,0,1]=4 3407 B18R1.1261 N#CCCCCCCSCCCC1CCCCC1 62a_100011713725_100009813337 [0,1,0,1,0,0|1,0,1]=4 3408 B18R1.1261 OCCCCCCCCCCSC1CCCCC1 62a_100000210327_200000033068 [0,1,0,1,0,0|0,0,2]=4 3409 B18R1.1261 OCCCCCCCCCCSC1CCCCC1 62a_100009813290_100000210327 [0,1,0,1,0,0|0,0,2]=4 3410 B18R1.1261 OCCCCCCCCCSCC1CCCCC1 62a_100000211423_100009813782 [0,1,0,1,0,0|0,0,2]=4 3411 B18R1.1261 OCCCCCCCCCSCC1CCCCC1 62a_100009813782_100000211423 [0,1,0,1,0,0|0,0,2]=4 3412 B18R1.1261 OCCCCCCCCSCCC1CCCCC1 62a_100000033203_100012355289 [0,1,0,1,0,0|0,0,2]=4 3413 B18R1.1261 OCCCCCCCCSCCC1CCCCC1 62a_100012355289_100000033203 [0,1,0,1,0,0|0,0,2]=4 3414 B18R1.1261 OCCCCCCCSCCCC1CCCCC1 62a_100000760002_100011713725 [0,1,0,1,0,0|0,0,2]=4 3415 B18R1.1261 OCCCCCCCSCCCC1CCCCC1 62a_100011713725_100000760002 [0,1,0,1,0,0|0,0,2]=4 3416 B18R1.1280 C=CCCCCCCCSC1CCCCCC1=O 62a_100000243696_100012355270 [0,1,0,1,0,0|0,0,2]=4 3417 B18R1.1280 C=CCCCCCCCSC1CCCCCC1=O 62a_100012355270_100000243696 [0,1,0,1,0,0|0,0,2]=4 3418 B18R1.1280 CCCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210670 [0,1,0,1,0,0|0,0,0]=2 3419 B18R1.4113 C=CCCCCCCCCN1CCCCC1CC 2230a_100000210034_100011933949 [0,1,0,1,0,0|1,0,0]=3 3420 B18R1.4113 C=CCCCCCCCCN1CCCCC1CC 269982a_100000210034_100011933949 [0,1,0,1,0,0|1,0,0]=3 3421 B18R1.4113 C=CCCCCCCCCN1CCCCC1CC 34a_100000210034_100011933949 [0,1,0,1,0,0|1,0,0]=3 3422 B18R1.4113 C=CCCCCCCCOC1CCCCC1CC 34a_100000210738_100012355270 [0,1,0,1,0,0|1,0,0]=3 3423 B18R1.4113 C=CCCCCCCCOC1CCCCC1CC 7a_100000210738_100012355270 [0,1,0,1,0,0|1,0,0]=3 3424 B18R1.4113 CCCCCCCCCCN1CCCCC1CC 2230a_100000210034_100000210320 [0,1,0,1,0,0|1,0,1]=4 3425 B18R1.4113 CCCCCCCCCCN1CCCCC1CC 269982a_100000210034_100000210320 [0,1,0,1,0,0|1,0,1]=4 3426 B18R1.4113 CCCCCCCCCCN1CCCCC1CC 34a_100000210034_100000210320 [0,1,0,1,0,0|1,0,1]=4 3427 B18R1.4113 CCCCCCCCCNC1CCCCC1CC 269862a_100000212291_100000757040 [0,1,0,1,0,0|1,0,1]=4 3428 B18R1.4113 CCCCCCCCCNC1CCCCC1CC 270004a_100000212291_100000757040 [0,1,0,1,0,0|1,0,1]=4 3429 B18R1.4113 CCCCCCCCCOC1CCCCC1CC 34a_100000210738_100011214924 [0,1,0,1,0,0|1,0,1]=4 3430 B18R1.4113 CCCCCCCCCOC1CCCCC1CC 7a_100000210738_100000210328 [0,1,0,1,0,0|1,0,1]=4 3431 B18R1.4139 C=CCCCCNC1CCCC1CCCCCC 269862a_100000703577_100000189428 [0,1,0,1,0,0|1,0,0]=3 3432 B18R1.4139 C=CCCCCNC1CCCC1CCCCCC 270004a_100000703577_100000189428 [0,1,0,1,0,0|1,0,0]=3 3433 B18R1.4139 C=CCCCNC1CCCC1CCCCCCC 269862a_100000700776_200011216720 [0,1,0,1,0,0|1,0,0]=3 3434 B18R1.4139 C=CCCCNC1CCCC1CCCCCCC 270004a_100000700776_200011216720 [0,1,0,1,0,0|1,0,0]=3 3435 B18R1.4139 CCCCCCCC1CCCC1NCCCCC 269862a_100000209983_200011216720 [0,1,0,1,0,0|1,0,1]=4 3436 B18R1.4139 CCCCCCCC1CCCC1NCCCCC 270004a_100000209983_200011216720 [0,1,0,1,0,0|1,0,1]=4 3437 B18R1.4139 CCCCCCNC1CCCC1CCCCCC 269862a_100000210581_100000189428 [0,1,0,1,0,0|1,0,1]=4 3438 B18R1.4139 CCCCCCNC1CCCC1CCCCCC 270004a_100000210581_100000189428 [0,1,0,1,0,0|1,0,1]=4 3439 B18R1.5429 BrCCCCCCCCCCCCOC1CCC1 34a_100009813331_100000749161 [0,1,0,1,0,0|1,0,1]=4 3440 B18R1.5429 BrCCCCCCCCCCCOCC1CCC1 34a_100009812471_100000763275 [0,1,0,1,0,0|1,0,1]=4 3441 B18R1.5429 BrCCCCCCCCCCCOCC1CCC1 7a_100009812471_100000763275 [0,1,0,1,0,0|1,0,1]=4 3442 B18R1.5429 C=CCCCCCCCCCCCNC1CCC1 2230a_100000749019_102130925996 [0,1,0,1,0,0|1,0,0]=3 3443 B18R1.5429 C=CCCCCCCCCCCCNC1CCC1 34a_100000749019_102130925996 [0,1,0,1,0,0|1,0,0]=3 3444 B18R1.5429 C=CCCCCCCCCCCCOC1CCC1 34a_100000748187_102130925996 [0,1,0,1,0,0|1,0,0]=3 3445 B18R1.5429 C=CCCCCCCCCCCCOC1CSC1 7a_100000072292_102130925996 [0,1,0,1,0,0|2,0,0]=4 3446 B18R1.5429 C=CCCCCCCCCCCCSC1COC1 62a_102130925996_100009818527 [0,1,0,1,0,0|2,0,0]=4 3447 B18R1.5429 C=CCCCCCCCCCCNCC1CCC1 2230a_100000738700_100011093070 [0,1,0,1,0,0|1,0,0]=3 3448 B18R1.5429 C=CCCCCCCCCCCNCC1CCC1 34a_100000738700_100011093070 [0,1,0,1,0,0|1,0,0]=3 3449 B18R1.5429 C=CCCCCCCCCCCOCC1CCC1 34a_100000760304_100011093070 [0,1,0,1,0,0|1,0,0]=3 3450 B18R1.5429 C=CCCCCCCCCCCSCC1CCO1 62a_100000103362_100011093070 [0,1,0,1,0,0|2,0,0]=4 3451 B18R1.5429 C=CCCCCCCCCCCSCC1CCO1 62a_100011093070_100000103362 [0,1,0,1,0,0|2,0,0]=4 3452 B18R1.5429 C=CCCCCCCCCCCSCC1COC1 62a_100010264016_100011093070 [0,1,0,1,0,0|2,0,0]=4 3453 B18R1.5429 C=CCCCCCCCCCCSCC1COC1 62a_100011093070_100010264016 [0,1,0,1,0,0|2,0,0]=4 3454 B18R1.5429 CCCCCCCCCCCCCCN1CCC1 269982a_100000754969_100011215471 [0,1,0,1,0,0|1,0,1]=4 3455 B18R1.5429 CCCCCCCCCCCCCNC1CCC1 2230a_100000749019_100000210684 [0,1,0,1,0,0|1,0,1]=4 3456 B18R1.5429 CCCCCCCCCCCCCNC1CCC1 270004a_100011215765_100000241760 [0,1,0,1,0,0|1,0,1]=4 3457 B18R1.5429 CCCCCCCCCCCCCNC1CCC1 34a_100000749019_100000210684 [0,1,0,1,0,0|1,0,1]=4 3458 B18R1.5429 CCCCCCCCCCCCCNC1CCC1 34a_100011215765_100000749161 [0,1,0,1,0,0|1,0,1]=4 3459 B18R1.5429 CCCCCCCCCCCCCNC1CSC1 270004a_100016994217_200011215488 [0,1,0,1,0,0|2,0,0]=4 3460 B18R1.5429 CCCCCCCCCCCCCOC1CCC1 34a_100000185773_100000749161 [0,1,0,1,0,0|1,0,1]=4 3461 B18R1.5429 CCCCCCCCCCCCCOC1CCC1 34a_100000748187_100000210684 [0,1,0,1,0,0|1,0,1]=4 3462 B18R1.5429 CCCCCCCCCCCCCOC1CSC1 7a_100000072292_100000210684 [0,1,0,1,0,0|2,0,0]=4 3463 B18R1.5429 CCCCCCCCCCCCNCC1CCC1 2230a_100000210451_100000763275 [0,1,0,1,0,0|1,0,1]=4 3464 B18R1.5429 CCCCCCCCCCCCNCC1CCC1 2230a_100000738700_100011215052 [0,1,0,1,0,0|1,0,1]=4 3465 B18R1.5429 CCCCCCCCCCCCNCC1CCC1 269862a_100000210451_100000753134 [0,1,0,1,0,0|1,0,1]=4 3466 B18R1.5429 CCCCCCCCCCCCNCC1CCC1 270004a_100000738700_100011218549 [0,1,0,1,0,0|1,0,1]=4 3467 B18R1.5429 CCCCCCCCCCCCNCC1CCC1 34a_100000210451_100000763275 [0,1,0,1,0,0|1,0,1]=4 3468 B18R1.5429 CCCCCCCCCCCCNCC1CCC1 34a_100000738700_100000759014 [0,1,0,1,0,0|1,0,1]=4 3469 B18R1.5429 CCCCCCCCCCCCOCC1CCC1 34a_100000210810_100000763275 [0,1,0,1,0,0|1,0,1]=4 3470 B18R1.5429 CCCCCCCCCCCCOCC1CCC1 34a_100000760304_100000759014 [0,1,0,1,0,0|1,0,1]=4 3471 B18R1.5429 CCCCCCCCCCCCOCC1CCC1 7a_100000210810_100000763275 [0,1,0,1,0,0|1,0,1]=4 3472 B18R1.5429 CCCCCCCCCCCCSCC1CCO1 62a_100000103362_100000759014 [0,1,0,1,0,0|0,0,2]=4 3473 B18R1.5429 CCCCCCCCCCCCSCC1COC1 62a_100010264016_100000759014 [0,1,0,1,0,0|2,0,0]=4 3474 B18R1.5429 OCCCCCCCCCCCCSC1CCC1 62a_100009813331_100000749161 [0,1,0,1,0,0|0,0,2]=4 3475 B18R1.5429 OCCCCCCCCCCCSCC1CCC1 62a_100009812471_100000763275 [0,1,0,1,0,0|0,0,2]=4 3476 B18R1.5443 CCCCCCCCNC1CCCC1CCCC 269862a_100000229939_100000750825 [0,1,0,1,0,0|1,0,1]=4 3477 B18R1.5443 CCCCCCCCNC1CCCC1CCCC 270004a_100000229939_100000750825 [0,1,0,1,0,0|1,0,1]=4 3478 B18R1.8770 CCCCCCCNC1CCCC1CCCCC 269862a_100000229938_200000198059 [0,1,0,1,0,0|1,0,1]=4 3479 B18R1.8770 CCCCCCCNC1CCCC1CCCCC 270004a_100000229938_200000198059 [0,1,0,1,0,0|1,0,1]=4 3480 B18R1.13144 BrCCCCCCCCCOC1CCCCCC1 34a_100009813782_100011217769 [0,1,0,1,0,0|1,0,1]=4 3481 B18R1.13144 BrCCCCCCCCOCC1CCCCCC1 34a_100009813846_200000696569 [0,1,0,1,0,0|1,0,1]=4 3482 B18R1.13144 BrCCCCCCCCOCC1CCCCCC1 7a_100009813846_200000696569 [0,1,0,1,0,0|1,0,1]=4 3483 B18R1.13144 C#CCCCCCCCCOC1CCCCCC1 34a_100000065265_100011217769 [0,1,0,1,0,0|1,0,1]=4 3484 B18R1.13144 C#CCCCCCCCSCC1CCCCCC1 62a_100153394163_200000696569 [0,1,0,1,0,0|1,0,1]=4 3485 B18R1.13144 C#CCCCCCCCSCC1CCCCCC1 62a_200000696569_100153394163 [0,1,0,1,0,0|1,0,1]=4 3486 B18R1.13144 C=CCCCCCCCCCN1CCCCCC1 2230a_100000185865_100009814027 [0,1,0,1,0,0|1,0,0]=3 3487 B18R1.13144 C=CCCCCCCCCCN1CCCCCC1 269982a_100000185865_100009814027 [0,1,0,1,0,0|1,0,0]=3 3488 B18R1.13144 C=CCCCCCCCCCN1CCCCCC1 34a_100000185865_100009814027 [0,1,0,1,0,0|1,0,0]=3 3489 B18R1.13144 C=CCCCCCCCCNC1CCCCCC1 2230a_100000210984_100011933949 [0,1,0,1,0,0|1,0,0]=3 3490 B18R1.13144 C=CCCCCCCCCNC1CCCCCC1 34a_100000210984_100011933949 [0,1,0,1,0,0|1,0,0]=3 3491 B18R1.13144 C=CCCCCCCCCOC1CCCCCC1 34a_100000210887_100011933949 [0,1,0,1,0,0|1,0,0]=3 3492 B18R1.13144 C=CCCCCCCCCOC1CCCCCC1 34a_100011215194_100011217769 [0,1,0,1,0,0|1,0,0]=3 3493 B18R1.13144 C=CCCCCCCCCOC1CCCCCC1 7a_100000210887_100011933949 [0,1,0,1,0,0|1,0,0]=3 3494 B18R1.13144 C=CCCCCCCCNCC1CCCCCC1 2230a_100015204231_100012355270 [0,1,0,1,0,0|1,0,0]=3 3495 B18R1.13144 C=CCCCCCCCNCC1CCCCCC1 34a_100015204231_100012355270 [0,1,0,1,0,0|1,0,0]=3 3496 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 34a_100000699130_100012355270 [0,1,0,1,0,0|1,0,0]=3 3497 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 34a_100000730831_200000696569 [0,1,0,1,0,0|1,0,0]=3 3498 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 7a_100000699130_100012355270 [0,1,0,1,0,0|1,0,0]=3 3499 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 7a_100000730831_200000696569 [0,1,0,1,0,0|1,0,0]=3 3500 B18R1.13144 C=CCCCCCCNCCC1CCCCCC1 2230a_100011532351_100011215473 [0,1,0,1,0,0|1,0,0]=3 3501 B18R1.13144 C=CCCCCCCNCCC1CCCCCC1 34a_100011532351_100011215473 [0,1,0,1,0,0|1,0,0]=3 3502 B18R1.13144 CCCCCCCCCCCN1CCCCCC1 2230a_100000185865_100011215454 [0,1,0,1,0,0|1,0,1]=4 3503 B18R1.13144 CCCCCCCCCCCN1CCCCCC1 269982a_100000185865_100011215454 [0,1,0,1,0,0|1,0,1]=4 3504 B18R1.13144 CCCCCCCCCCCN1CCCCCC1 34a_100000185865_100011215454 [0,1,0,1,0,0|1,0,1]=4 3505 B18R1.13144 CCCCCCCCCCNC1CCCCCC1 2230a_100000210984_100000210320 [0,1,0,1,0,0|1,0,1]=4 3506 B18R1.13144 CCCCCCCCCCNC1CCCCCC1 270004a_100000684558_100000210131 [0,1,0,1,0,0|1,0,1]=4 3507 B18R1.13144 CCCCCCCCCCNC1CCCCCC1 34a_100000210984_100000210320 [0,1,0,1,0,0|1,0,1]=4 3508 B18R1.13144 CCCCCCCCCCNC1CCCCCC1 34a_100000684558_100011217769 [0,1,0,1,0,0|1,0,1]=4 3509 B18R1.13144 CCCCCCCCCCOC1CCCCCC1 34a_100000210711_100011217769 [0,1,0,1,0,0|1,0,1]=4 3510 B18R1.13144 CCCCCCCCCCOC1CCCCCC1 34a_100000210887_100000210320 [0,1,0,1,0,0|1,0,1]=4 3511 B18R1.13144 CCCCCCCCCCOC1CCCCCC1 7a_100000210887_100000210320 [0,1,0,1,0,0|1,0,1]=4 3512 B18R1.13144 CCCCCCCCCNCC1CCCCCC1 2230a_100000212291_200000696569 [0,1,0,1,0,0|1,0,1]=4 3513 B18R1.13144 CCCCCCCCCNCC1CCCCCC1 2230a_100015204231_100011214924 [0,1,0,1,0,0|1,0,1]=4 3514 B18R1.13144 CCCCCCCCCNCC1CCCCCC1 269862a_100000212291_200000763224 [0,1,0,1,0,0|1,0,1]=4 3515 B18R1.13144 CCCCCCCCCNCC1CCCCCC1 34a_100000212291_200000696569 [0,1,0,1,0,0|1,0,1]=4 3516 B18R1.13144 CCCCCCCCCNCC1CCCCCC1 34a_100015204231_100011214924 [0,1,0,1,0,0|1,0,1]=4 3517 B18R1.13144 CCCCCCCCCOCC1CCCCCC1 34a_100000210712_200000696569 [0,1,0,1,0,0|1,0,1]=4 3518 B18R1.13144 CCCCCCCCCOCC1CCCCCC1 34a_100000699130_100011214924 [0,1,0,1,0,0|1,0,1]=4 3519 B18R1.13144 CCCCCCCCCOCC1CCCCCC1 7a_100000210712_200000696569 [0,1,0,1,0,0|1,0,1]=4 3520 B18R1.13144 CCCCCCCCCOCC1CCCCCC1 7a_100000699130_100000210328 [0,1,0,1,0,0|1,0,1]=4 3521 B18R1.13144 CCCCCCCCNCCC1CCCCCC1 2230a_100011532351_100000210759 [0,1,0,1,0,0|1,0,1]=4 3522 B18R1.13144 CCCCCCCCNCCC1CCCCCC1 34a_100011532351_100000210759 [0,1,0,1,0,0|1,0,1]=4 3523 B18R1.13144 ClCCCCCCCCCOC1CCCCCC1 34a_100009868337_100011217769 [0,1,0,1,0,0|1,0,1]=4 3524 B18R1.13144 ClCCCCCCCCOCC1CCCCCC1 34a_100000033203_200000696569 [0,1,0,1,0,0|1,0,1]=4 3525 B18R1.13144 ClCCCCCCCCOCC1CCCCCC1 7a_100000033203_200000696569 [0,1,0,1,0,0|1,0,1]=4 3526 B18R1.13144 OCCCCCCCCCSC1CCCCCC1 62a_100009813782_100011217769 [0,1,0,1,0,0|0,0,2]=4 3527 B18R1.13144 OCCCCCCCCCSC1CCCCCC1 62a_100011217769_100009813782 [0,1,0,1,0,0|0,0,2]=4 3528 B18R1.13144 OCCCCCCCCSCC1CCCCCC1 62a_100000033203_200000696569 [0,1,0,1,0,0|0,0,2]=4 3529 B18R1.13144 OCCCCCCCCSCC1CCCCCC1 62a_200000696569_100000033203 [0,1,0,1,0,0|0,0,2]=4 3530 B18R1.14770 CCNC1CCCCCCCCCCCCCC1 270004a_100015525214_100000040017 [0,1,0,1,0,0|1,0,1]=4 3531 B18R1.14770 CCOC1CCCCCCCCCCCCCC1 34a_200000037640_100000210202 [0,1,0,1,0,0|1,0,1]=4 3532 B18R1.14770 CCOC1CCCCCCCCCCCCCC1 7a_200000037640_100000210202 [0,1,0,1,0,0|1,0,1]=4 3533 B18R1.14770 FCOC1CCCCCCCCCCCCCC1 34a_200000037640_100015361967 [0,1,0,1,0,0|1,0,1]=4 3534 B18R1.14770 FCOC1CCCCCCCCCCCCCC1 7a_200000037640_100015361967 [0,1,0,1,0,0|1,0,1]=4 3535 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011093070 [0,1,0,1,0,0|1,0,0]=3 3536 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011093070 [0,1,0,1,0,0|1,0,0]=3 3537 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011093070 [0,1,0,1,0,0|1,0,0]=3 3538 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011093070 [0,1,0,1,0,0|1,0,0]=3 3539 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011093070 [0,1,0,1,0,0|1,0,0]=3 3540 B18R1.21916 C=CCCCCCCCCCCN1CCSC1C 2230a_200011216479_100011093070 [0,1,0,1,0,0|2,0,0]=4 3541 B18R1.21916 C=CCCCCCCCCCCN1CCSC1C 269982a_200011216479_100011093070 [0,1,0,1,0,0|2,0,0]=4 3542 B18R1.21916 C=CCCCCCCCCCCN1CCSC1C 34a_200011216479_100011093070 [0,1,0,1,0,0|2,0,0]=4 3543 B18R1.21916 C=CCCCCCCCCCNC1CCCC1C 269862a_100000081888_100000752053 [0,1,0,1,0,0|1,0,0]=3 3544 B18R1.21916 C=CCCCCCCCCCOC1CCCC1C 34a_100011216460_100009814027 [0,1,0,1,0,0|1,0,0]=3 3545 B18R1.21916 C=CCCCCCCCCCOC1CCCC1C 7a_100011216460_100009814027 [0,1,0,1,0,0|1,0,0]=3 3546 B18R1.21916 C=CCCCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009814027 [0,1,0,1,0,0|2,0,0]=4 3547 B18R1.21916 C=CCCCCCCCCCSC1CCCC1=O 62a_100000211823_100009814027 [0,1,0,1,0,0|0,0,2]=4 3548 B18R1.21916 C=CCCCCCCCCCSC1CCCC1=O 62a_100009814027_100000211823 [0,1,0,1,0,0|0,0,2]=4 3549 B18R1.21916 CCCCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215052 [0,1,0,1,0,0|1,0,1]=4 3550 B18R1.21916 CCCCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000759014 [0,1,0,1,0,0|1,0,1]=4 3551 B18R1.21916 CCCCCCCCCCCCN1CCC[C@@H]1C 270004a_100020605311_100011218549 [0,1,0,1,0,0|1,0,1]=4 3552 B18R1.21916 CCCCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215052 [0,1,0,1,0,0|1,0,1]=4 3553 B18R1.21916 CCCCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000759014 [0,1,0,1,0,0|1,0,1]=4 3554 B18R1.21916 CCCCCCCCCCCCN1CCC[C@H]1C 270004a_100015189458_100011218549 [0,1,0,1,0,0|1,0,1]=4 3555 B18R1.21916 CCCCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100000759014 [0,1,0,1,0,0|1,0,1]=4 3556 B18R1.21916 CCCCCCCCCCCNC1CCCC1C 269862a_200011215754_100000752053 [0,1,0,1,0,0|1,0,1]=4 3557 B18R1.21916 CCCCCCCCCCCOC1CCCC1C 34a_100011216460_100011215454 [0,1,0,1,0,0|1,0,1]=4 3558 B18R1.21916 CCCCCCCCCCCOC1CCCC1C 7a_100011216460_100011215454 [0,1,0,1,0,0|1,0,1]=4 3559 B18R1.21916 CCCCCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215454 [0,1,0,1,0,0|1,0,1]=4 3560 B18R1.21916 CCCCCCCCCCCSC1CCCC1=O 62a_100000211823_100011215454 [0,1,0,1,0,0|0,0,0]=2 3561 B18R1.21916 CCCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215454 [0,1,0,1,0,0|0,0,2]=4 3562 B18R1.21926 C=CCCCCCCCCCCCN1CCC1C 269982a_100000755817_102130925996 [0,1,0,1,0,0|1,0,0]=3 3563 B18R1.21926 C=CCCCCCCCCCCCN1CCC1C 34a_100000755817_102130925996 [0,1,0,1,0,0|1,0,0]=3 3564 B18R1.21926 C=CCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011093070 [0,1,0,1,0,0|0,0,2]=4 3565 B18R1.21926 C=CCCCCCCCCCCSC1CCC1=O 62a_100011093070_100009892977 [0,1,0,1,0,0|0,0,2]=4 3566 B18R1.21926 C=CCCCCCCCCSCCC1CCC1=O 62a_100011933949_200016118888 [0,1,0,1,0,0|0,0,2]=4 3567 B18R1.21926 C=CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100011933949 [0,1,0,1,0,0|0,0,2]=4 3568 B18R1.21926 CCCCCCCCCCCCCN1CCC1C 269982a_100000755817_100000210684 [0,1,0,1,0,0|1,0,1]=4 3569 B18R1.21926 CCCCCCCCCCCCCN1CCC1C 34a_100000755817_100000210684 [0,1,0,1,0,0|1,0,1]=4 3570 B18R1.21926 CCCCCCCCCCCCSC1CCC1=O 62a_100009892977_100000759014 [0,1,0,1,0,0|0,0,0]=2 3571 B18R1.21926 CCCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210320 [0,1,0,1,0,0|0,0,0]=2 3572 B18R1.21949 C/C=C/CSC1CCCCCCCCCCC1=O 62a_100102629194_200009990614 [0,1,0,1,0,0|0,0,2]=4 3573 B18R1.21949 C/C=C/CSC1CCCCCCCCCCC1=O 62a_200009990614_100102629194 [0,1,0,1,0,0|0,0,2]=4 3574 B18R1.21949 C=CCCSC1CCCCCCCCCCC1=O 62a_100000754431_200009990614 [0,1,0,1,0,0|0,0,2]=4 3575 B18R1.21949 C=CCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000754431 [0,1,0,1,0,0|0,0,2]=4 3576 B18R1.21949 CC=CCSC1CCCCCCCCCCC1=O 62a_100000070051_200009990614 [0,1,0,1,0,0|0,0,2]=4 3577 B18R1.21949 CC=CCSC1CCCCCCCCCCC1=O 62a_200009990614_100000070051 [0,1,0,1,0,0|0,0,2]=4 3578 B18R1.21949 CCCCSC1CCCCCCCCCCC1=O 62a_100000210211_200009990614 [0,1,0,1,0,0|0,0,0]=2 3579 B18R1.21949 CCCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210210 [0,1,0,1,0,0|0,0,0]=2 3580 B18R1.23376 C#CCCCOC1CCCCCCCCCCC1 34a_100000211378_100000695029 [0,1,0,1,0,0|1,0,1]=4 3581 B18R1.23376 C#CCCCOC1CCCCCCCCCCC1 7a_100000211378_100011215417 [0,1,0,1,0,0|1,0,1]=4 3582 B18R1.23376 C=CCCCNC1CCCCCCCCCCC1 2230a_100011194316_100011713584 [0,1,0,1,0,0|1,0,0]=3 3583 B18R1.23376 C=CCCCNC1CCCCCCCCCCC1 270004a_100000700776_100000210130 [0,1,0,1,0,0|1,0,0]=3 3584 B18R1.23376 C=CCCCNC1CCCCCCCCCCC1 34a_100011194316_100000757094 [0,1,0,1,0,0|1,0,0]=3 3585 B18R1.23376 C=CCCCOC1CCCCCCCCCCC1 34a_100000211378_100000757094 [0,1,0,1,0,0|1,0,0]=3 3586 B18R1.23376 C=CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000757094 [0,1,0,1,0,0|1,0,0]=3 3587 B18R1.23376 CCCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000210326 [0,1,0,1,0,0|1,0,1]=4 3588 B18R1.23376 CCCCCNC1CCCCCCCCCCC1 270004a_100000209983_100000210130 [0,1,0,1,0,0|1,0,1]=4 3589 B18R1.23376 CCCCCNC1CCCCCCCCCCC1 34a_100011194316_100000718602 [0,1,0,1,0,0|1,0,1]=4 3590 B18R1.23376 CCCCCOC1CCCCCCCCCCC1 34a_100000211378_100000718602 [0,1,0,1,0,0|1,0,1]=4 3591 B18R1.23376 CCCCCOC1CCCCCCCCCCC1 7a_100000211378_100000210326 [0,1,0,1,0,0|1,0,1]=4 3592 B18R1.23376 CSCCCNC1CCCCCCCCCCC1 270004a_100000749238_100000210130 [0,1,0,1,0,0|2,0,0]=4 3593 B18R1.23376 FCCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000729493 [0,1,0,1,0,0|1,0,1]=4 3594 B18R1.23376 FCCCCNC1CCCCCCCCCCC1 34a_100011194316_100000729493 [0,1,0,1,0,0|1,0,1]=4 3595 B18R1.23376 FCCCCOC1CCCCCCCCCCC1 34a_100000211378_100000729493 [0,1,0,1,0,0|1,0,1]=4 3596 B18R1.23376 FCCCCOC1CCCCCCCCCCC1 7a_100000211378_100000729493 [0,1,0,1,0,0|1,0,1]=4 3597 B18R1.35414 C=CCC1CCCCC1NCCCCCCCC 269862a_100000229939_100011214939 [0,1,0,1,0,0|1,0,0]=3 3598 B18R1.35414 C=CCC1CCCCC1NCCCCCCCC 270004a_100000229939_100011214939 [0,1,0,1,0,0|1,0,0]=3 3599 B18R1.35414 C=CCCCCCCCN1CCCCC1CCC 2230a_100000701414_100012355270 [0,1,0,1,0,0|1,0,0]=3 3600 B18R1.35414 C=CCCCCCCCN1CCCCC1CCC 269982a_100000701414_100012355270 [0,1,0,1,0,0|1,0,0]=3 3601 B18R1.35414 C=CCCCCCCCN1CCCCC1CCC 34a_100000701414_100012355270 [0,1,0,1,0,0|1,0,0]=3 3602 B18R1.35414 C=CCCCCCCOC1CCCCC1CCC 34a_100011217265_100011215473 [0,1,0,1,0,0|1,0,0]=3 3603 B18R1.35414 C=CCCCCCCOC1CCCCC1CCC 7a_100011217265_100011215473 [0,1,0,1,0,0|1,0,0]=3 3604 B18R1.35414 CCCCCCCCCN1CCCCC1CCC 2230a_100000701414_100011214924 [0,1,0,1,0,0|1,0,1]=4 3605 B18R1.35414 CCCCCCCCCN1CCCCC1CCC 269982a_100000701414_100000210670 [0,1,0,1,0,0|1,0,1]=4 3606 B18R1.35414 CCCCCCCCCN1CCCCC1CCC 34a_100000701414_100011214924 [0,1,0,1,0,0|1,0,1]=4 3607 B18R1.35414 CCCCCCCCNC1CCCCC1CCC 269862a_100000229939_100011218038 [0,1,0,1,0,0|1,0,1]=4 3608 B18R1.35414 CCCCCCCCNC1CCCCC1CCC 270004a_100000229939_100011218038 [0,1,0,1,0,0|1,0,1]=4 3609 B18R1.35414 CCCCCCCCOC1CCCCC1CCC 34a_100011217265_100000210759 [0,1,0,1,0,0|1,0,1]=4 3610 B18R1.35414 CCCCCCCCOC1CCCCC1CCC 7a_100011217265_100000210759 [0,1,0,1,0,0|1,0,1]=4 3611 B18R1.35418 C=CCCCCCCCN1CCCCCCCC1 2230a_100000039187_100012355270 [0,1,0,1,0,0|1,0,0]=3 3612 B18R1.35418 C=CCCCCCCCN1CCCCCCCC1 269982a_100000039187_100012355270 [0,1,0,1,0,0|1,0,0]=3 3613 B18R1.35418 C=CCCCCCCCN1CCCCCCCC1 34a_100000039187_100012355270 [0,1,0,1,0,0|1,0,0]=3 3614 B18R1.35418 CCCCCCCCCN1CCCCCCCC1 2230a_100000039187_100011214924 [0,1,0,1,0,0|1,0,1]=4 3615 B18R1.35418 CCCCCCCCCN1CCCCCCCC1 269982a_100000039187_100000210670 [0,1,0,1,0,0|1,0,1]=4 3616 B18R1.35418 CCCCCCCCCN1CCCCCCCC1 34a_100000039187_100011214924 [0,1,0,1,0,0|1,0,1]=4 3617 B18R1.35418 CCCCCCCCNC1CCCCCCCC1 270004a_100000229939_100000038600 [0,1,0,1,0,0|1,0,1]=4 3618 B18R1.40540 CCCCCCCCCNC1CCCC1CCC 269862a_100000212291_100000723119 [0,1,0,1,0,0|1,0,1]=4 3619 B18R1.40540 CCCCCCCCCNC1CCCC1CCC 270004a_100000212291_100000723119 [0,1,0,1,0,0|1,0,1]=4 3620 B18R1.40549 C#CCCCCCCCOC1CCCCCCC1 34a_100000210054_100153394163 [0,1,0,1,0,0|1,0,1]=4 3621 B18R1.40549 C#CCCCCCCCOC1CCCCCCC1 7a_100000210054_100153394163 [0,1,0,1,0,0|1,0,1]=4 3622 B18R1.40549 C=CCCCCCCCCN1CCCCCCC1 2230a_100000211400_100011933949 [0,1,0,1,0,0|1,0,0]=3 3623 B18R1.40549 C=CCCCCCCCCN1CCCCCCC1 269982a_100000211400_100011933949 [0,1,0,1,0,0|1,0,0]=3 3624 B18R1.40549 C=CCCCCCCCCN1CCCCCCC1 34a_100000211400_100011933949 [0,1,0,1,0,0|1,0,0]=3 3625 B18R1.40549 C=CCCCCCCCNC1CCCCCCC1 2230a_100000211152_100012355270 [0,1,0,1,0,0|1,0,0]=3 3626 B18R1.40549 C=CCCCCCCCNC1CCCCCCC1 34a_100000211152_100012355270 [0,1,0,1,0,0|1,0,0]=3 3627 B18R1.40549 C=CCCCCCCCOC1CCCCCCC1 34a_100000210054_100012355270 [0,1,0,1,0,0|1,0,0]=3 3628 B18R1.40549 C=CCCCCCCCOC1CCCCCCC1 7a_100000210054_100012355270 [0,1,0,1,0,0|1,0,0]=3 3629 B18R1.40549 C=CCCCCCCOCC1CCCCCCC1 34a_100011216312_100011215473 [0,1,0,1,0,0|1,0,0]=3 3630 B18R1.40549 C=CCCCCCCOCC1CCCCCCC1 7a_100011216312_100011215473 [0,1,0,1,0,0|1,0,0]=3 3631 B18R1.40549 C=CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000700193 [0,1,0,1,0,0|1,0,0]=3 3632 B18R1.40549 C=CCCCCCNCCC1CCCCCCC1 34a_100011532352_100000700193 [0,1,0,1,0,0|1,0,0]=3 3633 B18R1.40549 CCCCCCCCCCN1CCCCCCC1 2230a_100000211400_100000210320 [0,1,0,1,0,0|1,0,1]=4 3634 B18R1.40549 CCCCCCCCCCN1CCCCCCC1 269982a_100000211400_100000210320 [0,1,0,1,0,0|1,0,1]=4 3635 B18R1.40549 CCCCCCCCCCN1CCCCCCC1 34a_100000211400_100000210320 [0,1,0,1,0,0|1,0,1]=4 3636 B18R1.40549 CCCCCCCCCNC1CCCCCCC1 2230a_100000211152_100011214924 [0,1,0,1,0,0|1,0,1]=4 3637 B18R1.40549 CCCCCCCCCNC1CCCCCCC1 270004a_100000212291_100000210524 [0,1,0,1,0,0|1,0,1]=4 3638 B18R1.40549 CCCCCCCCCNC1CCCCCCC1 34a_100000211152_100011214924 [0,1,0,1,0,0|1,0,1]=4 3639 B18R1.40549 CCCCCCCCCOC1C=CCCCCC1 34a_100000688657_100011214924 [0,1,0,1,0,0|1,0,0]=3 3640 B18R1.40549 CCCCCCCCCOC1CCCCCCC1 34a_100000210054_100011214924 [0,1,0,1,0,0|1,0,1]=4 3641 B18R1.40549 CCCCCCCCCOC1CCCCCCC1 7a_100000210054_100000210328 [0,1,0,1,0,0|1,0,1]=4 3642 B18R1.40549 CCCCCCCCOCC1CCCCCCC1 34a_100011216312_100000210759 [0,1,0,1,0,0|1,0,1]=4 3643 B18R1.40549 CCCCCCCCOCC1CCCCCCC1 7a_100011216312_100000210759 [0,1,0,1,0,0|1,0,1]=4 3644 B18R1.40549 CCCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000210681 [0,1,0,1,0,0|1,0,1]=4 3645 B18R1.40549 CCCCCCCNCCC1CCCCCCC1 34a_100011532352_100000210614 [0,1,0,1,0,0|1,0,1]=4 3646 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)C 2230a_100000188429_100009814027 [0,1,0,1,0,0|2,0,0]=4 3647 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)C 269982a_100000188429_100009814027 [0,1,0,1,0,0|2,0,0]=4 3648 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)C 34a_100000188429_100009814027 [0,1,0,1,0,0|2,0,0]=4 3649 B18R1.27 C=CCCCCCCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011933949 [0,1,0,1,0,0|2,0,0]=4 3650 B18R1.27 C=CCCCCCCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011933949 [0,1,0,1,0,0|2,0,0]=4 3651 B18R1.27 C=CCCCCCCCCOC1CCC(CC1)C 34a_100000210714_100011933949 [0,1,0,1,0,0|2,0,0]=4 3652 B18R1.27 C=CCCCCCCCCOC1CCC(CC1)C 34a_100011215194_200011216234 [0,1,0,1,0,0|2,0,0]=4 3653 B18R1.27 C=CCCCCCCCCOC1CCC(CC1)C 7a_100000210714_100011933949 [0,1,0,1,0,0|2,0,0]=4 3654 B18R1.27 C=CCCCCCCCOCC1CCC(CC1)C 34a_100000701341_100012355270 [0,1,0,1,0,0|2,0,0]=4 3655 B18R1.681 C=CCCCCCCCOC1CCCC(C1C)C 34a_100011217532_100012355270 [0,1,0,1,0,0|2,0,0]=4 3656 B18R1.681 C=CCCCCCCCOC1CCCC(C1C)C 7a_100011217532_100012355270 [0,1,0,1,0,0|2,0,0]=4 3657 B18R1.21925 C=CCCCCCCCOC1CCCC(C1)CC 7a_100011985506_100012355270 [0,1,0,1,0,0|2,0,0]=4 3658 B18R1.34802 CCC(C)SC1CCCCCCCCCCC1=O 62a_100000758301_200009990614 [0,1,0,1,0,0|1,0,0]=3 3659 B18R1.34802 CCC(C)SC1CCCCCCCCCCC1=O 62a_200009990614_100000758301 [0,1,0,1,0,0|1,0,0]=3 3660 B18R1.40569 C=CCCCCCCCCN1CCCC(CC1)C 2230a_100025706717_100011933949 [0,1,0,1,0,0|2,0,0]=4 3661 B18R1.40569 C=CCCCCCCCCN1CCCC(CC1)C 269982a_100025706717_100011933949 [0,1,0,1,0,0|2,0,0]=4 3662 B18R1.40569 C=CCCCCCCCCN1CCCC(CC1)C 34a_100025706717_100011933949 [0,1,0,1,0,0|2,0,0]=4 3663 B18R1.49463 C=CCCCCCCCCCCCNC1(CC1)C 2230a_100000757604_102130925996 [0,1,0,1,0,0|2,0,0]=4 3664 B18R1.49463 C=CCCCCCCCCCCCOC1(CC1)C 7a_100011725673_102130925996 [0,1,0,1,0,0|2,0,0]=4 3665 B18R1.49463 C=CCCCCCCCCCCNCC1(CC1)C 2230a_100000766693_100011093070 [0,1,0,1,0,0|2,0,0]=4 3666 B18R1.49463 C=CCCCCCCCCCCOCC1(CC1)C 7a_100000698024_100011093070 [0,1,0,1,0,0|2,0,0]=4 3667 B18R1.49463 C=CCCCCCCCCCCOCC1(CC1)F 34a_200000703853_100011093070 [0,1,0,1,0,0|2,0,0]=4 3668 B18R1.49463 C=CCCCCCCCCCCOCC1(CC1)F 7a_200000703853_100011093070 [0,1,0,1,0,0|2,0,0]=4 3669 B18R1.180549 C=CCCCCCCCCCCN1CC(C1)CC 2230a_100015205115_100011093070 [0,1,0,1,0,0|2,0,0]=4 3670 B18R1.180549 C=CCCCCCCCCCCN1CC(C1)CC 269982a_100015205115_100011093070 [0,1,0,1,0,0|2,0,0]=4 3671 B18R1.6258 C=CCCN(C)C1CCCC1CCCCCCC 270004a_100020639649_200011216720 [0,1,0,1,0,0|2,0,0]=4 3672 B18R1.13739 C=CCCCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100011093070 [0,1,0,1,0,0|1,0,1]=4 3673 B18R1.13739 C=CCCCCCCCCCCN(C)C1CCC1 2230a_100000758072_100011093070 [0,1,0,1,0,0|2,0,0]=4 3674 B18R1.13739 C=CCCCCCCCCCCN(C)C1CCC1 269982a_100000758072_100011093070 [0,1,0,1,0,0|2,0,0]=4 3675 B18R1.13739 C=CCCCCCCCCCCN(C)C1CCC1 34a_100000758072_100011093070 [0,1,0,1,0,0|2,0,0]=4 3676 B18R1.13739 C=CCCCCCCCCCNC(C)C1CCC1 2230a_100016994624_100009814027 [0,1,0,1,0,0|2,0,0]=4 3677 B18R1.13739 C=CCCCCCCCCCNC(C)C1CCC1 269862a_100000081888_100000760154 [0,1,0,1,0,0|2,0,0]=4 3678 B18R1.13739 C=CCCCCCCCCCNC(C)C1CCC1 34a_100016994624_100009814027 [0,1,0,1,0,0|2,0,0]=4 3679 B18R1.13739 C=CCCCCCCCCCOC(C)C1CCC1 34a_100000766398_100009814027 [0,1,0,1,0,0|2,0,0]=4 3680 B18R1.13739 C=CCCCCCCCCCOC(C)C1CCC1 7a_100000766398_100009814027 [0,1,0,1,0,0|2,0,0]=4 3681 B18R1.13741 C=CCCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100011093070 [0,1,0,1,0,0|1,0,1]=4 3682 B18R1.13741 C=CCCCCCCCCCCN(C)CC1CC1 2230a_100000741881_100011093070 [0,1,0,1,0,0|2,0,0]=4 3683 B18R1.13741 C=CCCCCCCCCCCN(C)CC1CC1 269982a_100000741881_100011093070 [0,1,0,1,0,0|2,0,0]=4 3684 B18R1.13741 C=CCCCCCCCCCNC(C)CC1CC1 270004a_100000081888_200000686933 [0,1,0,1,0,0|2,0,0]=4 3685 B18R1.21918 C=CCCCCCCCOC1CC(CCC1C)C 34a_100011217446_100012355270 [0,1,0,1,0,0|2,0,0]=4 3686 B18R1.21918 C=CCCCCCCCOC1CC(CCC1C)C 7a_100011217446_100012355270 [0,1,0,1,0,0|2,0,0]=4 3687 B18R1.42477 C=CCCN(C)C1CCCCCCCCCCC1 270004a_100020639649_100000210130 [0,1,0,1,0,0|2,0,0]=4 3688 B18R1.94597 C=CCCCCCCCCCN1C(CCC1C)C 2230a_100000687148_100009814027 [0,1,0,1,0,0|2,0,0]=4 3689 B18R1.94597 C=CCCCCCCCCCN1C(CCC1C)C 269982a_100000687148_100009814027 [0,1,0,1,0,0|2,0,0]=4 3690 B18R1.94597 C=CCCCCCCCCCN1C(CCC1C)C 34a_100000687148_100009814027 [0,1,0,1,0,0|2,0,0]=4 3691 B18R1.122414 C=CCCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100011093070 [0,1,0,1,0,0|1,0,1]=4 3692 B18R1.180546 C=CCCCCCCCCCOC1(CCCC1)C 34a_100000751722_100009814027 [0,1,0,1,0,0|2,0,0]=4 3693 B18R1.180546 C=CCCCCCCCCCOC1(CCCC1)C 7a_100000751722_100009814027 [0,1,0,1,0,0|2,0,0]=4 3694 B18R1.8751 C=CCCCCCCCOC1CCC(CC1C)C 34a_100011539931_100012355270 [0,1,0,1,0,0|2,0,0]=4 3695 B18R1.8751 C=CCCCCCCCOC1CCC(CC1C)C 7a_100011539931_100012355270 [0,1,0,1,0,0|2,0,0]=4 3696 B18R1.49730 C=CCCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_102130925996 [0,1,0,1,0,0|1,0,1]=4 3697 B18R1.49730 C=CCCCCCCCCCCCN(C)C1CC1 2230a_100000226674_102130925996 [0,1,0,1,0,0|2,0,0]=4 3698 B18R1.49730 C=CCCCCCCCCCCCN(C)C1CC1 269982a_100000226674_102130925996 [0,1,0,1,0,0|2,0,0]=4 3699 B18R1.49730 C=CCCCCCCCCCCNC(C)C1CC1 2230a_100000700016_100011093070 [0,1,0,1,0,0|2,0,0]=4 3700 B18R1.49730 C=CCCCCCCCCCCNC(C)C1CC1 34a_100000700016_100011093070 [0,1,0,1,0,0|2,0,0]=4 3701 B18R1.49730 C=CCCCCCCCCCCOC(C)C1CC1 34a_100000744524_100011093070 [0,1,0,1,0,0|2,0,0]=4 3702 B18R1.49730 C=CCCCCCCCCCCOC(C)C1CC1 7a_100000744524_100011093070 [0,1,0,1,0,0|2,0,0]=4 3703 B18R1.252902 C=CCCCCCCCCCCNC1(CCC1)C 2230a_100000692455_100011093070 [0,1,0,1,0,0|2,0,0]=4 3704 B18R1.252902 C=CCCCCCCCCCCNC1(CCC1)C 34a_100000692455_100011093070 [0,1,0,1,0,0|2,0,0]=4 3705 B18R1.252902 C=CCCCCCCCCCCOC1(CCC1)C 34a_100000759064_100011093070 [0,1,0,1,0,0|2,0,0]=4 3706 B18R1.252902 C=CCCCCCCCCCCOC1(CCC1)C 7a_100000759064_100011093070 [0,1,0,1,0,0|2,0,0]=4 3707 B18R1.252902 C=CCCCCCCCCCNCC1(CCC1)C 2230a_100000081888_100000726658 [0,1,0,1,0,0|2,0,0]=4 3708 B18R1.252902 C=CCCCCCCCCCNCC1(CCC1)C 2230a_100000706607_100009814027 [0,1,0,1,0,0|2,0,0]=4 3709 B18R1.252902 C=CCCCCCCCCCNCC1(CCC1)C 34a_100000081888_100000726658 [0,1,0,1,0,0|2,0,0]=4 3710 B18R1.252902 C=CCCCCCCCCCOCC1(CCC1)C 34a_100000038209_100000726658 [0,1,0,1,0,0|2,0,0]=4 3711 B18R1.252902 C=CCCCCCCCCCOCC1(CCC1)C 7a_100000038209_100000726658 [0,1,0,1,0,0|2,0,0]=4 3712 B18R1.1327 C=CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100009814027 [0,1,0,1,0,0|1,0,1]=4 3713 B18R1.1327 C=CCCCCCCCCCN(C)C1CCCC1 2230a_100000207505_100009814027 [0,1,0,1,0,0|2,0,0]=4 3714 B18R1.1327 C=CCCCCCCCCCN(C)C1CCCC1 269982a_100000207505_100009814027 [0,1,0,1,0,0|2,0,0]=4 3715 B18R1.1327 C=CCCCCCCCCCN(C)C1CCCC1 34a_100000207505_100009814027 [0,1,0,1,0,0|2,0,0]=4 3716 B18R1.1327 C=CCCCCCCCCNC(C)C1CCCC1 2230a_100015185923_100011933949 [0,1,0,1,0,0|2,0,0]=4 3717 B18R1.1327 C=CCCCCCCCCNC(C)C1CCCC1 34a_100015185923_100011933949 [0,1,0,1,0,0|2,0,0]=4 3718 B18R1.1327 C=CCCCCCCCCOC(C)C1CCCC1 34a_100011216366_100011933949 [0,1,0,1,0,0|2,0,0]=4 3719 B18R1.1327 C=CCCCCCCCCOC(C)C1CCCC1 7a_100011216366_100011933949 [0,1,0,1,0,0|2,0,0]=4 3720 B18R1.41511 C=CCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100009814027 [0,1,0,1,0,0|1,0,1]=4 3721 B18R1.41513 C=CCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100009814027 [0,1,0,1,0,0|1,0,1]=4 3722 B18R1.41513 C=CCCCCCCCCCN(C)CC1CCC1 2230a_200000750244_100009814027 [0,1,0,1,0,0|2,0,0]=4 3723 B18R1.41513 C=CCCCCCCCCCN(C)CC1CCC1 269982a_200000750244_100009814027 [0,1,0,1,0,0|2,0,0]=4 3724 B18R1.41513 C=CCCCCCCCCCN(C)CC1CCC1 34a_200000750244_100009814027 [0,1,0,1,0,0|2,0,0]=4 3725 B18R1.41514 C=CCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100009814027 [0,1,0,1,0,0|1,0,1]=4 3726 B18R1.252903 C=CCCCCCCCCNC1(CCCCC1)C 2230a_100000741114_100011933949 [0,1,0,1,0,0|2,0,0]=4 3727 B18R1.252903 C=CCCCCCCCCNC1(CCCCC1)C 34a_100000741114_100011933949 [0,1,0,1,0,0|2,0,0]=4 3728 B18R1.252903 C=CCCCCCCCCOC1(CCCCC1)C 34a_100011215885_100011933949 [0,1,0,1,0,0|2,0,0]=4 3729 B18R1.252903 C=CCCCCCCCCOC1(CCCCC1)C 7a_100011215885_100011933949 [0,1,0,1,0,0|2,0,0]=4 3730 B18R1.252903 C=CCCCCCCCNCC1(CCCCC1)C 2230a_100000706052_100012355270 [0,1,0,1,0,0|2,0,0]=4 3731 B18R1.252903 C=CCCCCCCCNCC1(CCCCC1)C 34a_100000706052_100012355270 [0,1,0,1,0,0|2,0,0]=4 3732 B18R1.252903 C=CCCCCCCCOCC1(CCCCC1)C 34a_100000688186_100012355270 [0,1,0,1,0,0|2,0,0]=4 3733 B18R1.252903 C=CCCCCCCCOCC1(CCCCC1)C 7a_100000688186_100012355270 [0,1,0,1,0,0|2,0,0]=4 3734 B18R1.252903 C=CCCCCCCCOCC1(CCCCC1)F 34a_100000090305_100012355270 [0,1,0,1,0,0|2,0,0]=4 3735 B18R1.252903 C=CCCCCCCCOCC1(CCCCC1)F 7a_100000090305_100012355270 [0,1,0,1,0,0|2,0,0]=4 3736 B18R1.293864 C=CCCCCCCCCN1C(CCCC1C)C 2230a_100000210447_100011933949 [0,1,0,1,0,0|2,0,0]=4 3737 B18R1.293864 C=CCCCCCCCCN1C(CCCC1C)C 269982a_100000210447_100011933949 [0,1,0,1,0,0|2,0,0]=4 3738 B18R1.293864 C=CCCCCCCCCN1C(CCCC1C)C 34a_100000210447_100011933949 [0,1,0,1,0,0|2,0,0]=4 3739 B18R1.293864 C=CCCCCCCCOC1C(CCCC1C)C 34a_100011218088_100012355270 [0,1,0,1,0,0|2,0,0]=4 3740 B18R1.293864 C=CCCCCCCCOC1C(CCCC1C)C 7a_100011218088_100012355270 [0,1,0,1,0,0|2,0,0]=4 3741 B18R1.346 C=CCCCCCCCC(=O)CCC1CCCC1 1458a_100000211120_100012355270 [0,1,0,1,0,0|1,0,1]=4 3742 B18R1.346 C=CCCCCCCCC(=O)CCC1CCCC1 1458a_100011216160_100000760354 [0,1,0,1,0,0|1,0,1]=4 3743 B18R1.1311 C=CCCCCCCCC(=O)CC1CCCCC1 1458a_100000211666_100012355270 [0,1,0,1,0,0|1,0,1]=4 3744 B18R1.1311 C=CCCCCCCCC(=O)CC1CCCCC1 1458a_100011216160_100000211423 [0,1,0,1,0,0|1,0,1]=4 3745 B18R1.1311 C=CCCCCCCCN(C)CC1CCCCC1 2230a_100000736448_100012355270 [0,1,0,1,0,0|2,0,0]=4 3746 B18R1.1311 C=CCCCCCCCN(C)CC1CCCCC1 269982a_100000736448_100012355270 [0,1,0,1,0,0|2,0,0]=4 3747 B18R1.1311 C=CCCCCCCCN(C)CC1CCCCC1 34a_100000736448_100012355270 [0,1,0,1,0,0|2,0,0]=4 3748 B18R1.1311 CCCCCCCCCC(C)OC1C=CCCC1 7a_100011218016_100000751183 [0,1,0,1,0,0|2,0,0]=4 3749 B18R1.5357 C=CCCCCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000700193 [0,1,0,1,0,0|1,0,1]=4 3750 B18R1.5357 C=CCCCCCC(=O)CCCC1CCCCC1 1458a_100011934241_100011713725 [0,1,0,1,0,0|1,0,1]=4 3751 B18R1.10541 CCCCCCCC(C)SC1CCCCCC1=O 62a_100000243696_200011218727 [0,1,0,1,0,0|1,0,0]=3 3752 B18R1.10541 CCCCCCCC(C)SC1CCCCCC1=O 62a_200011218727_100000243696 [0,1,0,1,0,0|1,0,0]=3 3753 B18R1.10574 C=CCC1CCCCC1N(C)CCCCCCC 270004a_100000228206_100011214939 [0,1,0,1,0,0|2,0,0]=4 3754 B18R1.24263 C=CCCCCCCCC(=O)C1CCCCC1C 1458a_100011215568_100012355270 [0,1,0,1,0,0|1,0,1]=4 3755 B18R1.105813 CCCCCCCC(C)OC1C=CCCCCC1 34a_100000688657_200011218727 [0,1,0,1,0,0|2,0,0]=4 3756 B18R1.195344 C=CCCCCCCCC(=O)C1CCCCCC1 1458a_100000749507_100012355270 [0,1,0,1,0,0|1,0,1]=4 3757 B18R1.195344 C=CCCCCCCCC(=O)C1CCCCCC1 1458a_100011216160_100011217769 [0,1,0,1,0,0|1,0,1]=4 3758 B18R1.195344 C=CCCCCCCCN(C)C1CCCCCC1 2230a_100015185097_100012355270 [0,1,0,1,0,0|2,0,0]=4 3759 B18R1.195344 C=CCCCCCCCN(C)C1CCCCCC1 269982a_100015185097_100012355270 [0,1,0,1,0,0|2,0,0]=4 3760 B18R1.195344 C=CCCCCCCCN(C)C1CCCCCC1 34a_100015185097_100012355270 [0,1,0,1,0,0|2,0,0]=4 3761 B18R1.352 C=CCCCCCCCCC(=O)CC1CCCC1 1458a_100000210891_100011933949 [0,1,0,1,0,0|1,0,1]=4 3762 B18R1.352 C=CCCCCCCCCC(=O)CC1CCCC1 1458a_100000211349_100000740388 [0,1,0,1,0,0|1,0,1]=4 3763 B18R1.352 CCCCCCCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210319 [0,1,0,1,0,0|1,0,1]=4 3764 B18R1.352 CCCCCCCCCNC(C)CC1C=CCC1 270004a_100000212291_100000116859 [0,1,0,1,0,0|2,0,0]=4 3765 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCCC1 1458a_100000210647_100011933949 [0,1,0,1,0,0|1,0,1]=4 3766 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCCC1 1458a_100000211349_100000210327 [0,1,0,1,0,0|1,0,1]=4 3767 B18R1.1146 C=CCCCCCCCCN(C)C1CCCCC1 2230a_100000207522_100011933949 [0,1,0,1,0,0|2,0,0]=4 3768 B18R1.1146 C=CCCCCCCCCN(C)C1CCCCC1 269982a_100000207522_100011933949 [0,1,0,1,0,0|2,0,0]=4 3769 B18R1.1146 C=CCCCCCCCCN(C)C1CCCCC1 34a_100000207522_100011933949 [0,1,0,1,0,0|2,0,0]=4 3770 B18R1.1146 C=CCCCCCCCN[C@H](C)C1CCCCC1 2230a_100025707633_100012355270 [0,1,0,1,0,0|2,0,0]=4 3771 B18R1.1146 C=CCCCCCCCN[C@H](C)C1CCCCC1 34a_100025707633_100012355270 [0,1,0,1,0,0|2,0,0]=4 3772 B18R1.1146 C=CCCCCCCCOC(C)C1CCCCC1 34a_100011216961_100012355270 [0,1,0,1,0,0|2,0,0]=4 3773 B18R1.1146 C=CCCCCCCCOC(C)C1CCCCC1 7a_100011216961_100012355270 [0,1,0,1,0,0|2,0,0]=4 3774 B18R1.1146 CCCCCCCCCCC(=O)C1C=CCCC1 1458a_100000210375_100000751183 [0,1,0,1,0,0|1,0,1]=4 3775 B18R1.1146 CCCCCCCCCCN(C)C1C=CCCC1 2230a_100000207566_100000751183 [0,1,0,1,0,0|2,0,0]=4 3776 B18R1.1146 CCCCCCCCCCN(C)C1C=CCCC1 269982a_100000207566_100000751183 [0,1,0,1,0,0|2,0,0]=4 3777 B18R1.5198 C=CCCCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100011215482 [0,1,0,1,0,0|1,0,1]=4 3778 B18R1.5247 C=CCCCCN(C)C1CCCC1CCCCC 270004a_100012000471_200000198059 [0,1,0,1,0,0|2,0,0]=4 3779 B18R1.7236 C=CCC1CCCCC1NC(C)CCCCCC 269862a_100000210919_100011214939 [0,1,0,1,0,0|2,0,0]=4 3780 B18R1.7236 C=CCC1CCCCC1NC(C)CCCCCC 270004a_100000210919_100011214939 [0,1,0,1,0,0|2,0,0]=4 3781 B18R1.36734 C=CCCCCCCCCC(=O)C1CCCC1C 1458a_100000690547_100011933949 [0,1,0,1,0,0|1,0,1]=4 3782 B18R1.180574 C=CCCCCCCCNC1(CCCCCC1)C 2230a_100000704638_100012355270 [0,1,0,1,0,0|2,0,0]=4 3783 B18R1.180574 C=CCCCCCCCNC1(CCCCCC1)C 34a_100000704638_100012355270 [0,1,0,1,0,0|2,0,0]=4 3784 B18R1.180574 C=CCCCCCCCOC1(CCCCCC1)C 34a_100000708895_100012355270 [0,1,0,1,0,0|2,0,0]=4 3785 B18R1.180574 C=CCCCCCCCOC1(CCCCCC1)C 7a_100000708895_100012355270 [0,1,0,1,0,0|2,0,0]=4 3786 B18R2.122002 C=CCCCCCCCSC1C2CCC1CC2 62a_100009813300_100012355270 [0,0,0,2,0,0|2,0,0]=4 3787 B18R2.122002 C=CCCCCCCCSC1C2CCC1CC2 62a_100012355270_100009813300 [0,0,0,2,0,0|2,0,0]=4 3788 B18R2.133712 C=CCCCCCCCSC1CC2CCC1C2 62a_100000727232_100012355270 [0,0,0,2,0,0|2,0,0]=4 3789 B18R2.133712 C=CCCCCCCCSC1CC2CCC1C2 62a_100012355270_100000727232 [0,0,0,2,0,0|2,0,0]=4 3790 B18R2.133712 CCCCCCCCSCC1CC2C=CC1C2 62a_100000139495_100000210317 [0,0,0,2,0,0|2,0,0]=4 3791 B18R2.133712 CCCCCCCCSCC1CC2C=CC1C2 62a_100000210759_100000139495 [0,0,0,2,0,0|2,0,0]=4