0 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 Oc1ccnc2c1nccn2 271570a_203496583355_100010783457 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.1081 Oc1cncc2c1ccnc2 271570a_203496583355_100010134378 [0,0,0,0,0,0|3,0,0]=3 16 B12R2.1081 Oc1cncc2c1nccn2 271570a_203496583355_200010209543 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.1081 Oc1nccc2c1nccn2 271570a_203496583355_100010063732 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,0,0,0,0,0|3,0,0]=3 24 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [0,0,0,0,0,0|4,0,0]=4 26 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,1,0,0,0,0|0,0,0]=1 27 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,1,0,0,0,0|1,0,0]=2 28 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,1,0,0,0,0|1,0,0]=2 29 B13R2.32 Cc1c(ccc2c1nccn2)O 271570a_203496583355_100135414757 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,1,0,0,0,0|1,0,0]=2 31 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,1,0,0,0,0|1,0,0]=2 34 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.32 Nc1ccc2nccnc2c1O 271570a_203496583355_100000729981 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.32 Nc1cnc2cccnc2c1O 271570a_203496583355_100009889961 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,1,0,0,0,0|1,0,0]=2 48 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,1,0,0,0,0|1,0,0]=2 52 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,1,0,0,0,0|1,0,0]=2 54 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,1,0,0,0,0|1,0,0]=2 55 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.162 Cc1ccc2cncc(c2c1)O 271570a_203496583355_100009817139 [0,1,0,0,0,0|2,0,0]=3 63 B13R2.162 Cc1ccc2nccc(c2c1)O 271570a_203496583355_100000751279 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.162 Cc1ccc2nccc(c2n1)O 271570a_203496583355_100009889967 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.162 Cc1ccc2ncnc(c2c1)O 271570a_203496583355_100000743341 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [0,1,0,0,0,0|0,0,0]=1 67 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [0,1,0,0,0,0|1,0,0]=2 68 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [0,1,0,0,0,0|1,0,0]=2 69 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [0,1,0,0,0,0|1,0,0]=2 70 B13R2.162 Cc1ncnc2c1cc(cc2)O 271570a_203496583355_100000700471 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.162 Nc1ccc2nccc(c2c1)O 271570a_203496583355_100009879071 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [0,1,0,0,0,0|1,0,0]=2 74 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [0,1,0,0,0,0|2,0,0]=3 76 B13R2.162 Nc1ncc2cccc(c2n1)O 271570a_203496583355_200010988910 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.162 Nc1ncnc2c1cc(cc2)O 271570a_203496583355_100011390335 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.162 O=c1[nH]ccc2c1cc(cn2)O 271570a_203496583355_100010134370 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.162 O=c1[nH]cnc2c1cc(cc2)O 271570a_203496583355_100000755678 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.162 O=c1[nH]ncc2c1cc(cc2)O 271570a_203496583355_100015864262 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.162 O=c1ccnc2n1cc(cc2)O 271570a_203496583355_100010178973 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [0,1,0,0,0,0|2,0,0]=3 86 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [0,1,0,0,0,0|2,0,0]=3 93 B13R2.162 Oc1ccc2cncc(c2n1)O 271570a_203496583355_100009812673 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.162 Oc1ccc2ncnc(c2c1)Cl 271570a_203496583355_100000757566 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.162 Oc1ccc2nncc(c2c1)O 271570a_203496583355_100010074700 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.162 Oc1ccnc2c1cc(cc2)Br 271570a_203496583355_100010189052 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.162 Oc1ccnc2c1cc(cc2)F 271570a_203496583355_100011217270 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.162 Oc1ccnc2c1nc(cc2)F 271570a_203496583355_100000719316 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.162 Oc1ncc2cccc(c2n1)O 271570a_203496583355_100010674811 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.162 Oc1nccc2c1cc(cc2)F 271570a_203496583355_100010202866 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.162 Oc1ncnc2c1cc(cc2)F 271570a_203496583355_100000743340 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.328 Cc1cc(c2cccnc2n1)O 271570a_203496583355_100009885123 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [0,1,0,0,0,0|1,0,0]=2 109 B13R2.328 Cc1cc(cc2c1nccn2)O 271570a_203496583355_100010080486 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,1,0,0,0,0|1,0,0]=2 116 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.328 Nc1cc2cccnc2c(n1)O 271570a_203496583355_100010205410 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.328 Nc1cc2cnccc2c(n1)O 271570a_203496583355_100000690061 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,1,0,0,0,0|2,0,0]=3 123 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,1,0,0,0,0|2,0,0]=3 124 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,1,0,0,0,0|1,0,0]=2 128 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,1,0,0,0,0|1,0,0]=2 129 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.328 Oc1cc(c2nccnc2c1)F 271570a_203496583355_100010079260 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.328 Oc1cc(cc2c1nccn2)F 271570a_203496583355_100011083936 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.328 [O-][n+]1cc(c2ccccc2c1)O 271570a_203496583355_100009995557 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.342 Cc1cccc2c1nccc2O 271570a_203496583355_100000751276 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.342 Cc1cccc2c1ncnc2O 271570a_203496583355_100000751292 [0,1,0,0,0,0|2,0,0]=3 143 B13R2.342 Cc1ccnc2c1cccc2O 271570a_203496583355_100010254272 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.342 Cc1ccnc2c1nccc2O 271570a_203496583355_200013369187 [0,1,0,0,0,0|2,0,0]=3 145 B13R2.342 Cc1nccc2c1cccc2O 271570a_203496583355_100010137443 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [0,1,0,0,0,0|1,0,0]=2 147 B13R2.342 Nc1cccc2c1ccnc2O 271570a_203496583355_100000070072 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.342 Nc1cccc2c1nccc2O 271570a_203496583355_100009892510 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.342 Nc1ccnc2c1cccc2O 271570a_203496583355_100011620713 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.342 Nc1nccc2c1cccc2O 271570a_203496583355_103549770558 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.342 Nc1ncnc2c1cccc2O 271570a_203496583355_100010199759 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [0,1,0,0,0,0|2,0,0]=3 153 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.342 Oc1cccc2c1cccc2F 271570a_203496583355_100009817034 [0,1,0,0,0,0|1,0,0]=2 155 B13R2.342 Oc1cccc2c1cccc2O 271570a_203496583355_100010003857 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.342 Oc1cccc2c1ccnc2Cl 271570a_203496583355_100010080171 [0,1,0,0,0,0|2,0,0]=3 157 B13R2.342 Oc1ccnc2c1cccc2F 271570a_203496583355_100011934723 [0,1,0,0,0,0|2,0,0]=3 158 B13R2.342 Oc1ccnc2c1cccc2O 271570a_203496583355_100000703299 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.342 Oc1cncc2c1cccc2F 271570a_203496583355_100010740057 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.342 Oc1nccc2c1cccc2F 271570a_203496583355_100012180906 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.342 Oc1ncnc2c1cccc2F 271570a_203496583355_100000693626 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.342 Oc1ncnc2c1cccc2O 271570a_203496583355_100010201916 [0,1,0,0,0,0|3,0,0]=4 163 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [0,1,0,0,0,0|0,0,0]=1 164 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [0,1,0,0,0,0|1,0,0]=2 165 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [0,1,0,0,0,0|1,0,0]=2 166 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [0,1,0,0,0,0|1,0,0]=2 167 B13R2.371 Cc1nnc(c2c1cccc2)O 271570a_203496583355_100000189618 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [0,1,0,0,0,0|1,0,0]=2 169 B13R2.371 Nc1ccc(c2c1cccn2)O 271570a_203496583355_100012360041 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.371 Nc1ccc(c2c1ccnc2)O 271570a_203496583355_200012344021 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.371 Nc1ccc(c2c1cncc2)O 271570a_203496583355_100011218454 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.371 Nc1ccc(c2c1nccc2)O 271570a_203496583355_100000726955 [0,1,0,0,0,0|2,0,0]=3 173 B13R2.371 Nc1cnc(c2c1cccc2)O 271570a_203496583355_200009868590 [0,1,0,0,0,0|2,0,0]=3 174 B13R2.371 Nc1ncc(c2c1cccc2)O 271570a_203496583355_100010158575 [0,1,0,0,0,0|2,0,0]=3 175 B13R2.371 Nc1ncc(c2c1cccn2)O 271570a_203496583355_100010383929 [0,1,0,0,0,0|3,0,0]=4 176 B13R2.371 O=c1[nH]cc(c2c1cncc2)O 271570a_203496583355_100010090797 [0,1,0,0,0,0|3,0,0]=4 177 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [0,1,0,0,0,0|3,0,0]=4 178 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [0,1,0,0,0,0|1,0,0]=2 179 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [0,1,0,0,0,0|1,0,0]=2 180 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [0,1,0,0,0,0|1,0,0]=2 181 B13R2.371 Oc1ccc(c2c1cccn2)F 271570a_203496583355_100010245834 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.371 Oc1ccc(c2c1cccn2)O 271570a_203496583355_100011934063 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.371 Oc1ccc(c2c1ccnc2)F 271570a_203496583355_100000698020 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.371 Oc1ccc(c2c1cncc2)F 271570a_203496583355_100010244717 [0,1,0,0,0,0|2,0,0]=3 185 B13R2.371 Oc1ccc(c2c1nccc2)F 271570a_203496583355_100010214461 [0,1,0,0,0,0|2,0,0]=3 186 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [0,1,0,0,0,0|2,0,0]=3 187 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.371 [O-][n+]1ccc(c2c1cccc2)O 271570a_203496583355_100020656173 [0,1,0,0,0,0|2,0,0]=3 189 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [0,1,0,0,0,0|0,0,1]=2 190 B13R2.1613 C=Cc1cccc2c1cccn2 271570a_100011290941_100011290932 [0,1,0,0,0,0|1,0,1]=3 191 B13R2.1613 C=Cc1cccc2c1ccnc2 271570a_100011290941_100000186358 [0,1,0,0,0,0|1,0,1]=3 192 B13R2.1613 C=Cc1cccc2c1cncc2 271570a_100011290941_100000685578 [0,1,0,0,0,0|1,0,1]=3 193 B13R2.1613 C=Cc1cccc2c1cncn2 271570a_100011290941_100009814520 [0,1,0,0,0,0|2,0,1]=4 194 B13R2.1613 C=Cc1cccc2c1nccc2 271570a_100011290941_100011215545 [0,1,0,0,0,0|1,0,1]=3 195 B13R2.1613 C=Cc1cccc2c1nccn2 271570a_100011290941_100010003881 [0,1,0,0,0,0|2,0,1]=4 196 B13R2.1613 C=Cc1cccc2c1ncnc2 271570a_100011290941_100010246313 [0,1,0,0,0,0|2,0,1]=4 197 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [0,1,0,0,0,0|1,0,1]=3 198 B13R2.1613 C=Cc1ccnc2c1cccn2 271570a_100011290941_100000087570 [0,1,0,0,0,0|2,0,1]=4 199 B13R2.1613 C=Cc1ccnc2c1cncc2 271570a_100011290941_100000095135 [0,1,0,0,0,0|2,0,1]=4 200 B13R2.1613 C=Cc1cncc2c1cccc2 271570a_100011290941_100000187577 [0,1,0,0,0,0|1,0,1]=3 201 B13R2.1613 C=Cc1cncc2c1cccn2 271570a_100011290941_100010211308 [0,1,0,0,0,0|2,0,1]=4 202 B13R2.1613 C=Cc1cncc2c1ccnc2 271570a_100011290941_100010134378 [0,1,0,0,0,0|2,0,1]=4 203 B13R2.1613 C=Cc1cnnc2c1cccc2 271570a_100011290941_100000063506 [0,1,0,0,0,0|2,0,1]=4 204 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [0,1,0,0,0,0|1,0,1]=3 205 B13R2.1613 C=Cc1nccc2c1cccn2 271570a_100011290941_100000077681 [0,1,0,0,0,0|2,0,1]=4 206 B13R2.1613 C=Cc1nccc2c1cncc2 271570a_100011290941_100000116921 [0,1,0,0,0,0|2,0,1]=4 207 B13R2.1613 C=Cc1nccc2c1nccc2 271570a_100011290941_100010063729 [0,1,0,0,0,0|2,0,1]=4 208 B13R2.1613 C=Cc1ncnc2c1cccc2 271570a_100011290941_100000217608 [0,1,0,0,0,0|2,0,1]=4 209 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [0,1,0,0,0,0|0,0,0]=1 210 B13R2.1613 CNc1cccc2c1cccn2 27a_100102657272_100011290932 [0,1,0,0,0,0|1,0,0]=2 211 B13R2.1613 CNc1cccc2c1cccn2 34a_100000183906_200000210301 [0,1,0,0,0,0|1,0,0]=2 212 B13R2.1613 CNc1cccc2c1cncn2 27a_100102657272_100009814520 [0,1,0,0,0,0|2,0,0]=3 213 B13R2.1613 CNc1cccc2c1nccc2 34a_100000181377_200000210301 [0,1,0,0,0,0|1,0,0]=2 214 B13R2.1613 CNc1cccc2c1nccn2 27a_100102657272_100010003881 [0,1,0,0,0,0|2,0,0]=3 215 B13R2.1613 CNc1cccc2c1ncnc2 27a_100102657272_100010246313 [0,1,0,0,0,0|2,0,0]=3 216 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [0,1,0,0,0,0|1,0,0]=2 217 B13R2.1613 CNc1ccnc2c1cccn2 27a_100102657272_100000087570 [0,1,0,0,0,0|2,0,0]=3 218 B13R2.1613 CNc1ccnc2c1cncc2 27a_100102657272_100000095135 [0,1,0,0,0,0|2,0,0]=3 219 B13R2.1613 CNc1ccnc2c1nccn2 27a_100102657272_100010783457 [0,1,0,0,0,0|3,0,0]=4 220 B13R2.1613 CNc1cncc2c1cccn2 27a_100102657272_100010211308 [0,1,0,0,0,0|2,0,0]=3 221 B13R2.1613 CNc1cncc2c1nccn2 27a_100102657272_200010209543 [0,1,0,0,0,0|3,0,0]=4 222 B13R2.1613 CNc1cnnc2c1cccc2 27a_100102657272_100000063506 [0,1,0,0,0,0|2,0,0]=3 223 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [0,1,0,0,0,0|1,0,0]=2 224 B13R2.1613 CNc1nccc2c1cccn2 27a_100102657272_100000077681 [0,1,0,0,0,0|2,0,0]=3 225 B13R2.1613 CNc1nccc2c1cncc2 27a_100102657272_100000116921 [0,1,0,0,0,0|2,0,0]=3 226 B13R2.1613 CNc1nccc2c1nccc2 27a_100102657272_100010063729 [0,1,0,0,0,0|2,0,0]=3 227 B13R2.1613 CNc1nccc2c1nccn2 27a_100102657272_100010063732 [0,1,0,0,0,0|3,0,0]=4 228 B13R2.1613 CNc1ncnc2c1cccc2 27a_100102657272_100000217608 [0,1,0,0,0,0|2,0,0]=3 229 B13R2.1613 CNc1ncnc2c1cccn2 27a_100102657272_100000026734 [0,1,0,0,0,0|3,0,0]=4 230 B13R2.1613 CNc1ncnc2c1ccnc2 27a_100102657272_100000098430 [0,1,0,0,0,0|3,0,0]=4 231 B13R2.1613 CNc1ncnc2c1nccc2 27a_100102657272_100000063688 [0,1,0,0,0,0|3,0,0]=4 232 B13R2.1613 COc1cccc2c1CC=CC2 34a_100000074931_200000210301 [0,1,0,0,0,0|0,0,2]=3 233 B13R2.1613 COc1cccc2c1CC=CC2 7a_100000074931_200000210301 [0,1,0,0,0,0|0,0,2]=3 234 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [0,1,0,0,0,0|0,0,0]=1 235 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [0,1,0,0,0,0|0,0,0]=1 236 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [0,1,0,0,0,0|1,0,0]=2 237 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [0,1,0,0,0,0|1,0,0]=2 238 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [0,1,0,0,0,0|1,0,0]=2 239 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [0,1,0,0,0,0|1,0,0]=2 240 B13R2.1613 COc1cccc2c1nccn2 34a_100000077048_200000210301 [0,1,0,0,0,0|2,0,0]=3 241 B13R2.1613 COc1cccc2c1ncnc2 34a_200000077003_200000210301 [0,1,0,0,0,0|2,0,0]=3 242 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [0,1,0,0,0,0|1,0,0]=2 243 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [0,1,0,0,0,0|1,0,0]=2 244 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [0,1,0,0,0,0|1,0,0]=2 245 B13R2.1613 CSc1cccc2c1CCN=C2 62a_100010982778_200000210301 [0,1,0,0,0,0|1,0,2]=4 246 B13R2.1613 CSc1cccc2c1CCN=C2 62a_200000210301_100010982778 [0,1,0,0,0,0|1,0,2]=4 247 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [0,1,0,0,0,0|0,0,0]=1 248 B13R2.1613 CSc1cccc2c1cccn2 62a_100011290932_200000210301 [0,1,0,0,0,0|1,0,0]=2 249 B13R2.1613 CSc1cccc2c1cccn2 62a_200000210301_100011290932 [0,1,0,0,0,0|1,0,0]=2 250 B13R2.1613 CSc1cccc2c1ccnc2 62a_100000186358_200000210301 [0,1,0,0,0,0|1,0,0]=2 251 B13R2.1613 CSc1cccc2c1ccnc2 62a_200000210301_100000186358 [0,1,0,0,0,0|1,0,0]=2 252 B13R2.1613 CSc1cccc2c1cncc2 62a_100000685578_200000210301 [0,1,0,0,0,0|1,0,0]=2 253 B13R2.1613 CSc1cccc2c1cncc2 62a_200000210301_100000685578 [0,1,0,0,0,0|1,0,0]=2 254 B13R2.1613 CSc1cccc2c1cncn2 62a_100009814520_200000210301 [0,1,0,0,0,0|2,0,0]=3 255 B13R2.1613 CSc1cccc2c1cncn2 62a_200000210301_100009814520 [0,1,0,0,0,0|2,0,0]=3 256 B13R2.1613 CSc1cccc2c1nccc2 62a_200000210301_100011215545 [0,1,0,0,0,0|1,0,0]=2 257 B13R2.1613 CSc1cccc2c1nccn2 62a_100010003881_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B13R2.1613 CSc1cccc2c1nccn2 62a_200000210301_100010003881 [0,1,0,0,0,0|2,0,0]=3 259 B13R2.1613 CSc1cccc2c1ncnc2 62a_100010246313_200000210301 [0,1,0,0,0,0|2,0,0]=3 260 B13R2.1613 CSc1cccc2c1ncnc2 62a_200000210301_100010246313 [0,1,0,0,0,0|2,0,0]=3 261 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [0,1,0,0,0,0|1,0,0]=2 262 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [0,1,0,0,0,0|1,0,0]=2 263 B13R2.1613 CSc1ccnc2c1cccn2 62a_100000087570_200000210301 [0,1,0,0,0,0|2,0,0]=3 264 B13R2.1613 CSc1ccnc2c1cccn2 62a_200000210301_100000087570 [0,1,0,0,0,0|2,0,0]=3 265 B13R2.1613 CSc1ccnc2c1cncc2 62a_100000095135_200000210301 [0,1,0,0,0,0|2,0,0]=3 266 B13R2.1613 CSc1ccnc2c1cncc2 62a_200000210301_100000095135 [0,1,0,0,0,0|2,0,0]=3 267 B13R2.1613 CSc1ccnc2c1nccn2 62a_100010783457_200000210301 [0,1,0,0,0,0|3,0,0]=4 268 B13R2.1613 CSc1ccnc2c1nccn2 62a_200000210301_100010783457 [0,1,0,0,0,0|3,0,0]=4 269 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [0,1,0,0,0,0|1,0,0]=2 270 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [0,1,0,0,0,0|1,0,0]=2 271 B13R2.1613 CSc1cncc2c1cccn2 62a_100010211308_200000210301 [0,1,0,0,0,0|2,0,0]=3 272 B13R2.1613 CSc1cncc2c1cccn2 62a_200000210301_100010211308 [0,1,0,0,0,0|2,0,0]=3 273 B13R2.1613 CSc1cncc2c1ccnc2 62a_100010134378_200000210301 [0,1,0,0,0,0|2,0,0]=3 274 B13R2.1613 CSc1cncc2c1ccnc2 62a_200000210301_100010134378 [0,1,0,0,0,0|2,0,0]=3 275 B13R2.1613 CSc1cncc2c1nccn2 62a_200000210301_200010209543 [0,1,0,0,0,0|3,0,0]=4 276 B13R2.1613 CSc1cncc2c1nccn2 62a_200010209543_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B13R2.1613 CSc1cnnc2c1cccc2 62a_200000210301_100000063506 [0,1,0,0,0,0|2,0,0]=3 278 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [0,1,0,0,0,0|1,0,0]=2 279 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [0,1,0,0,0,0|1,0,0]=2 280 B13R2.1613 CSc1nccc2c1cccn2 62a_200000210301_100000077681 [0,1,0,0,0,0|2,0,0]=3 281 B13R2.1613 CSc1nccc2c1cncc2 62a_200000210301_100000116921 [0,1,0,0,0,0|2,0,0]=3 282 B13R2.1613 CSc1nccc2c1cncc2 62a_200010063730_200000210301 [0,1,0,0,0,0|2,0,0]=3 283 B13R2.1613 CSc1nccc2c1nccc2 62a_200000210301_100010063729 [0,1,0,0,0,0|2,0,0]=3 284 B13R2.1613 CSc1nccc2c1nccn2 62a_100010063732_200000210301 [0,1,0,0,0,0|3,0,0]=4 285 B13R2.1613 CSc1nccc2c1nccn2 62a_200000210301_100010063732 [0,1,0,0,0,0|3,0,0]=4 286 B13R2.1613 CSc1ncnc2c1cccc2 62a_100000753007_200000210301 [0,1,0,0,0,0|2,0,0]=3 287 B13R2.1613 CSc1ncnc2c1cccc2 62a_200000210301_100000217608 [0,1,0,0,0,0|2,0,0]=3 288 B13R2.1613 CSc1ncnc2c1cccn2 62a_100000026734_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B13R2.1613 CSc1ncnc2c1cccn2 62a_200000210301_100000026734 [0,1,0,0,0,0|3,0,0]=4 290 B13R2.1613 CSc1ncnc2c1ccnc2 62a_200000210301_100000098430 [0,1,0,0,0,0|3,0,0]=4 291 B13R2.1613 CSc1ncnc2c1nccc2 62a_200000210301_100000063688 [0,1,0,0,0,0|3,0,0]=4 292 B13R2.1613 CSc1nncc2c1cccc2 62a_200000210301_100025712358 [0,1,0,0,0,0|2,0,0]=3 293 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [0,1,0,0,0,0|0,0,0]=1 294 B13R2.1613 [13CH3]Nc1cccc2c1cccn2 34a_100000183906_200025704644 [0,1,0,0,0,0|1,0,0]=2 295 B13R2.1613 [13CH3]Nc1cccc2c1nccc2 34a_100000181377_200025704644 [0,1,0,0,0,0|1,0,0]=2 296 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 34a_100000074931_200025704644 [0,1,0,0,0,0|0,0,2]=3 297 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 7a_100000074931_200025704644 [0,1,0,0,0,0|0,0,2]=3 298 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [0,1,0,0,0,0|0,0,0]=1 299 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [0,1,0,0,0,0|0,0,0]=1 300 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [0,1,0,0,0,0|1,0,0]=2 301 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [0,1,0,0,0,0|1,0,0]=2 302 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [0,1,0,0,0,0|1,0,0]=2 303 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [0,1,0,0,0,0|1,0,0]=2 304 B13R2.1613 [13CH3]Oc1cccc2c1nccn2 34a_100000077048_200025704644 [0,1,0,0,0,0|2,0,0]=3 305 B13R2.1613 [13CH3]Oc1cccc2c1ncnc2 34a_200000077003_200025704644 [0,1,0,0,0,0|2,0,0]=3 306 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [0,1,0,0,0,0|1,0,0]=2 307 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [0,1,0,0,0,0|1,0,0]=2 308 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [0,1,0,0,0,0|1,0,0]=2 309 B13R2.1613 [13CH3]Sc1cccc2c1CCN=C2 62a_100010982778_200025704644 [0,1,0,0,0,0|1,0,2]=4 310 B13R2.1613 [13CH3]Sc1cccc2c1CCN=C2 62a_200025704644_100010982778 [0,1,0,0,0,0|1,0,2]=4 311 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [0,1,0,0,0,0|0,0,0]=1 312 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_100011290932_200025704644 [0,1,0,0,0,0|1,0,0]=2 313 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_200025704644_100011290932 [0,1,0,0,0,0|1,0,0]=2 314 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_100000186358_200025704644 [0,1,0,0,0,0|1,0,0]=2 315 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_200025704644_100000186358 [0,1,0,0,0,0|1,0,0]=2 316 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_100000685578_200025704644 [0,1,0,0,0,0|1,0,0]=2 317 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_200025704644_100000685578 [0,1,0,0,0,0|1,0,0]=2 318 B13R2.1613 [13CH3]Sc1cccc2c1cncn2 62a_100009814520_200025704644 [0,1,0,0,0,0|2,0,0]=3 319 B13R2.1613 [13CH3]Sc1cccc2c1cncn2 62a_200025704644_100009814520 [0,1,0,0,0,0|2,0,0]=3 320 B13R2.1613 [13CH3]Sc1cccc2c1nccc2 62a_200025704644_100011215545 [0,1,0,0,0,0|1,0,0]=2 321 B13R2.1613 [13CH3]Sc1cccc2c1nccn2 62a_100010003881_200025704644 [0,1,0,0,0,0|2,0,0]=3 322 B13R2.1613 [13CH3]Sc1cccc2c1nccn2 62a_200025704644_100010003881 [0,1,0,0,0,0|2,0,0]=3 323 B13R2.1613 [13CH3]Sc1cccc2c1ncnc2 62a_100010246313_200025704644 [0,1,0,0,0,0|2,0,0]=3 324 B13R2.1613 [13CH3]Sc1cccc2c1ncnc2 62a_200025704644_100010246313 [0,1,0,0,0,0|2,0,0]=3 325 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [0,1,0,0,0,0|1,0,0]=2 326 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [0,1,0,0,0,0|1,0,0]=2 327 B13R2.1613 [13CH3]Sc1ccnc2c1cccn2 62a_100000087570_200025704644 [0,1,0,0,0,0|2,0,0]=3 328 B13R2.1613 [13CH3]Sc1ccnc2c1cccn2 62a_200025704644_100000087570 [0,1,0,0,0,0|2,0,0]=3 329 B13R2.1613 [13CH3]Sc1ccnc2c1cncc2 62a_100000095135_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B13R2.1613 [13CH3]Sc1ccnc2c1cncc2 62a_200025704644_100000095135 [0,1,0,0,0,0|2,0,0]=3 331 B13R2.1613 [13CH3]Sc1ccnc2c1nccn2 62a_100010783457_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B13R2.1613 [13CH3]Sc1ccnc2c1nccn2 62a_200025704644_100010783457 [0,1,0,0,0,0|3,0,0]=4 333 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [0,1,0,0,0,0|1,0,0]=2 334 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [0,1,0,0,0,0|1,0,0]=2 335 B13R2.1613 [13CH3]Sc1cncc2c1cccn2 62a_100010211308_200025704644 [0,1,0,0,0,0|2,0,0]=3 336 B13R2.1613 [13CH3]Sc1cncc2c1cccn2 62a_200025704644_100010211308 [0,1,0,0,0,0|2,0,0]=3 337 B13R2.1613 [13CH3]Sc1cncc2c1ccnc2 62a_100010134378_200025704644 [0,1,0,0,0,0|2,0,0]=3 338 B13R2.1613 [13CH3]Sc1cncc2c1ccnc2 62a_200025704644_100010134378 [0,1,0,0,0,0|2,0,0]=3 339 B13R2.1613 [13CH3]Sc1cncc2c1nccn2 62a_200010209543_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B13R2.1613 [13CH3]Sc1cncc2c1nccn2 62a_200025704644_200010209543 [0,1,0,0,0,0|3,0,0]=4 341 B13R2.1613 [13CH3]Sc1cnnc2c1cccc2 62a_200025704644_100000063506 [0,1,0,0,0,0|2,0,0]=3 342 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [0,1,0,0,0,0|1,0,0]=2 343 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [0,1,0,0,0,0|1,0,0]=2 344 B13R2.1613 [13CH3]Sc1nccc2c1cccn2 62a_200025704644_100000077681 [0,1,0,0,0,0|2,0,0]=3 345 B13R2.1613 [13CH3]Sc1nccc2c1cncc2 62a_200010063730_200025704644 [0,1,0,0,0,0|2,0,0]=3 346 B13R2.1613 [13CH3]Sc1nccc2c1cncc2 62a_200025704644_100000116921 [0,1,0,0,0,0|2,0,0]=3 347 B13R2.1613 [13CH3]Sc1nccc2c1nccc2 62a_200025704644_100010063729 [0,1,0,0,0,0|2,0,0]=3 348 B13R2.1613 [13CH3]Sc1nccc2c1nccn2 62a_100010063732_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B13R2.1613 [13CH3]Sc1nccc2c1nccn2 62a_200025704644_100010063732 [0,1,0,0,0,0|3,0,0]=4 350 B13R2.1613 [13CH3]Sc1ncnc2c1cccc2 62a_100000753007_200025704644 [0,1,0,0,0,0|2,0,0]=3 351 B13R2.1613 [13CH3]Sc1ncnc2c1cccc2 62a_200025704644_100000217608 [0,1,0,0,0,0|2,0,0]=3 352 B13R2.1613 [13CH3]Sc1ncnc2c1cccn2 62a_100000026734_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B13R2.1613 [13CH3]Sc1ncnc2c1cccn2 62a_200025704644_100000026734 [0,1,0,0,0,0|3,0,0]=4 354 B13R2.1613 [13CH3]Sc1ncnc2c1ccnc2 62a_200025704644_100000098430 [0,1,0,0,0,0|3,0,0]=4 355 B13R2.1613 [13CH3]Sc1ncnc2c1nccc2 62a_200025704644_100000063688 [0,1,0,0,0,0|3,0,0]=4 356 B13R2.1613 [13CH3]Sc1nncc2c1cccc2 62a_200025704644_100025712358 [0,1,0,0,0,0|2,0,0]=3 357 B13R2.4818 Cc1cccc2c1c(ccc2)O 271570a_203496583355_100009995290 [0,1,0,0,0,0|0,0,0]=1 358 B13R2.4818 Cc1cncc2c1c(ccc2)O 271570a_203496583355_100009817140 [0,1,0,0,0,0|1,0,0]=2 359 B13R2.4818 Nc1cccc2c1c(ccc2)O 271570a_203496583355_100010002837 [0,1,0,0,0,0|1,0,0]=2 360 B13R2.4818 Nc1cccc2c1c(ccn2)O 271570a_203496583355_100010263589 [0,1,0,0,0,0|2,0,0]=3 361 B13R2.4818 Nc1cccc2c1c(cnc2)O 271570a_203496583355_100000720362 [0,1,0,0,0,0|2,0,0]=3 362 B13R2.4818 Nc1nccc2c1c(ccc2)O 271570a_203496583355_100010291105 [0,1,0,0,0,0|2,0,0]=3 363 B13R2.4818 Nc1ncnc2c1c(ccc2)O 271570a_203496583355_100010171649 [0,1,0,0,0,0|3,0,0]=4 364 B13R2.4818 O=c1[nH]cnc2c1c(ccc2)O 271570a_203496583355_100000696754 [0,1,0,0,0,0|3,0,0]=4 365 B13R2.4818 Oc1cccc2c1c(ccc2)Br 271570a_203496583355_100010243825 [0,1,0,0,0,0|1,0,0]=2 366 B13R2.4818 Oc1cccc2c1c(ccc2)F 271570a_203496583355_100010177852 [0,1,0,0,0,0|1,0,0]=2 367 B13R2.4818 Oc1cccc2c1c(ccc2)O 271570a_203496583355_100010089961 [0,1,0,0,0,0|1,0,0]=2 368 B13R2.4818 Oc1cccc2c1c(ccn2)O 271570a_203496583355_100010187735 [0,1,0,0,0,0|2,0,0]=3 369 B13R2.4818 Oc1cccc2c1c(ncc2)O 271570a_203496583355_100010162479 [0,1,0,0,0,0|2,0,0]=3 370 B13R2.4818 Oc1ncnc2c1c(ccc2)F 271570a_203496583355_100000743342 [0,1,0,0,0,0|3,0,0]=4 371 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [0,1,0,0,0,0|2,0,0]=3 372 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [0,1,0,0,0,0|2,0,0]=3 373 B13R2.5179 Cc1ccc2c(ncnc2c1)O 271570a_203496583355_100000099684 [0,1,0,0,0,0|3,0,0]=4 374 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [0,1,0,0,0,0|1,0,0]=2 375 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [0,1,0,0,0,0|1,0,0]=2 376 B13R2.5179 Nc1cc2cccc(c2cn1)O 271570a_203496583355_100010201637 [0,1,0,0,0,0|2,0,0]=3 377 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [0,1,0,0,0,0|2,0,0]=3 378 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,1,0,0,0,0|1,0,0]=2 379 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,1,0,0,0,0|2,0,0]=3 380 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [0,1,0,0,0,0|2,0,0]=3 381 B13R2.5179 Nc1ncc2c(cccc2n1)O 271570a_203496583355_100010209551 [0,1,0,0,0,0|3,0,0]=4 382 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [0,1,0,0,0,0|2,0,0]=3 383 B13R2.5179 Nc1ncnc2c1ccc(c2)O 271570a_203496583355_100010199758 [0,1,0,0,0,0|3,0,0]=4 384 B13R2.5179 O=c1[nH]cnc2c1ccc(c2)O 271570a_203496583355_100000230960 [0,1,0,0,0,0|3,0,0]=4 385 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,1,0,0,0,0|2,0,0]=3 386 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,1,0,0,0,0|2,0,0]=3 387 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [0,1,0,0,0,0|2,0,0]=3 388 B13R2.5179 Oc1cc2ccnc(c2cn1)O 271570a_203496583355_100020669822 [0,1,0,0,0,0|3,0,0]=4 389 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,1,0,0,0,0|1,0,0]=2 390 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [0,1,0,0,0,0|2,0,0]=3 391 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [0,1,0,0,0,0|2,0,0]=3 392 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [0,1,0,0,0,0|2,0,0]=3 393 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [0,1,0,0,0,0|2,0,0]=3 394 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [0,1,0,0,0,0|2,0,0]=3 395 B13R2.5179 Oc1ccc2c(nncc2c1)O 271570a_203496583355_100000724280 [0,1,0,0,0,0|3,0,0]=4 396 B13R2.5179 Oc1ccnc2c1ccc(c2)Cl 271570a_203496583355_100012352046 [0,1,0,0,0,0|2,0,0]=3 397 B13R2.5179 Oc1ccnc2c1ccc(c2)F 271570a_203496583355_100000755548 [0,1,0,0,0,0|2,0,0]=3 398 B13R2.5179 Oc1ccnc2c1ncc(c2)F 271570a_203496583355_100011072215 [0,1,0,0,0,0|3,0,0]=4 399 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [0,1,0,0,0,0|2,0,0]=3 400 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [0,1,0,0,0,0|2,0,0]=3 401 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [0,1,0,0,0,0|2,0,0]=3 402 B13R2.5179 Oc1cnc2c(nccc2c1)O 271570a_203496583355_100010117065 [0,1,0,0,0,0|3,0,0]=4 403 B13R2.5179 Oc1nccc2c1ccc(c2)F 271570a_203496583355_100000097391 [0,1,0,0,0,0|2,0,0]=3 404 B13R2.5179 Oc1ncnc2c1ccc(c2)F 271570a_203496583355_100000230349 [0,1,0,0,0,0|3,0,0]=4 405 B13R2.5179 [O-][n+]1ccc2c(cccc2c1)O 271570a_203496583355_200010126733 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.13 C=C=Cc1cccc(c1Br)O 271570a_100015277604_100010187914 [0,0,1,0,0,0|2,0,1]=4 407 B11R1.13 C=C=Cc1cccc(c1C)Br 271570a_100015277604_100012353703 [0,0,1,0,0,0|1,0,2]=4 408 B11R1.13 C=C=Cc1cccc(c1C)C 271570a_100015277604_100011214922 [0,0,1,0,0,0|0,0,2]=3 409 B11R1.13 C=C=Cc1cccc(c1C)Cl 271570a_100015277604_100000726075 [0,0,1,0,0,0|1,0,2]=4 410 B11R1.13 C=C=Cc1cccc(c1C)F 271570a_100015277604_100011216893 [0,0,1,0,0,0|1,0,2]=4 411 B11R1.13 C=C=Cc1cccc(c1C)N 271570a_100015277604_100000761887 [0,0,1,0,0,0|1,0,2]=4 412 B11R1.13 C=C=Cc1cccc(c1C)O 271570a_100015277604_100012002258 [0,0,1,0,0,0|1,0,2]=4 413 B11R1.13 C=C=Cc1cccc(c1Cl)Br 271570a_100015277604_100010142854 [0,0,1,0,0,0|2,0,1]=4 414 B11R1.13 C=C=Cc1cccc(c1Cl)C 271570a_100015277604_200012352035 [0,0,1,0,0,0|1,0,1]=3 415 B11R1.13 C=C=Cc1cccc(c1Cl)Cl 271570a_100015277604_100011215384 [0,0,1,0,0,0|2,0,1]=4 416 B11R1.13 C=C=Cc1cccc(c1Cl)F 271570a_100015277604_200010234923 [0,0,1,0,0,0|2,0,1]=4 417 B11R1.13 C=C=Cc1cccc(c1Cl)O 271570a_100015277604_100000049636 [0,0,1,0,0,0|2,0,1]=4 418 B11R1.13 C=C=Cc1cccc(c1F)Br 271570a_100015277604_100000702267 [0,0,1,0,0,0|2,0,1]=4 419 B11R1.13 C=C=Cc1cccc(c1F)C 271570a_100015277604_100000717567 [0,0,1,0,0,0|1,0,1]=3 420 B11R1.13 C=C=Cc1cccc(c1F)Cl 271570a_100015277604_100011217346 [0,0,1,0,0,0|2,0,1]=4 421 B11R1.13 C=C=Cc1cccc(c1F)F 271570a_100015277604_100000694657 [0,0,1,0,0,0|2,0,1]=4 422 B11R1.13 C=C=Cc1cccc(c1F)N 271570a_100015277604_100011935091 [0,0,1,0,0,0|2,0,1]=4 423 B11R1.13 C=C=Cc1cccc(c1F)O 271570a_100015277604_100009817021 [0,0,1,0,0,0|2,0,1]=4 424 B11R1.13 C=C=Cc1cccc(c1N)Br 271570a_100015277604_100010146558 [0,0,1,0,0,0|2,0,1]=4 425 B11R1.13 C=C=Cc1cccc(c1N)C 271570a_100015277604_100011834072 [0,0,1,0,0,0|1,0,1]=3 426 B11R1.13 C=C=Cc1cccc(c1N)Cl 271570a_100015277604_100010190421 [0,0,1,0,0,0|2,0,1]=4 427 B11R1.13 C=C=Cc1cccc(c1N)F 271570a_100015277604_100000042321 [0,0,1,0,0,0|2,0,1]=4 428 B11R1.13 C=C=Cc1cccc(c1N)N 271570a_100015277604_100015191791 [0,0,1,0,0,0|2,0,1]=4 429 B11R1.13 C=C=Cc1cccc(c1N)O 271570a_100015277604_100011934926 [0,0,1,0,0,0|2,0,1]=4 430 B11R1.13 C=C=Cc1cccc(c1O)Br 271570a_100015277604_100010084509 [0,0,1,0,0,0|2,0,1]=4 431 B11R1.13 C=C=Cc1cccc(c1O)C 271570a_100015277604_100009817157 [0,0,1,0,0,0|1,0,1]=3 432 B11R1.13 C=C=Cc1cccc(c1O)Cl 271570a_100015277604_100010202889 [0,0,1,0,0,0|2,0,1]=4 433 B11R1.13 C=C=Cc1cccc(c1O)F 271570a_100015277604_100009813666 [0,0,1,0,0,0|2,0,1]=4 434 B11R1.13 C=C=Cc1cccc(c1O)N 271570a_100015277604_100011934915 [0,0,1,0,0,0|2,0,1]=4 435 B11R1.13 C=C=Cc1cccc(c1O)O 271570a_100015277604_100009815950 [0,0,1,0,0,0|2,0,1]=4 436 B11R1.13 C=C=Cc1cccn(c1=O)C 271570a_100015277604_100000687173 [0,0,1,0,0,0|2,0,1]=4 437 B11R1.13 C=C=Cc1ccnc(c1C)C 271570a_100015277604_100009846815 [0,0,1,0,0,0|1,0,2]=4 438 B11R1.13 C=C=Cc1ccnc(c1Cl)C 271570a_100015277604_100000698670 [0,0,1,0,0,0|2,0,1]=4 439 B11R1.13 C=C=Cc1ccnc(c1F)C 271570a_100015277604_100009849794 [0,0,1,0,0,0|2,0,1]=4 440 B11R1.13 C=C=Cc1ccnc(c1N)C 271570a_100015277604_100009885578 [0,0,1,0,0,0|2,0,1]=4 441 B11R1.13 C=C=Cc1cncc(c1C)C 271570a_100015277604_100009864703 [0,0,1,0,0,0|1,0,2]=4 442 B11R1.13 C=C=Cc1cncc(c1N)C 271570a_100015277604_100009818025 [0,0,1,0,0,0|2,0,1]=4 443 B11R1.13 C=C=Cc1nccc(c1C)C 271570a_100015277604_100009847204 [0,0,1,0,0,0|1,0,2]=4 444 B11R1.13 C=C=Cc1nccc(c1F)C 271570a_100015277604_100009817629 [0,0,1,0,0,0|2,0,1]=4 445 B11R1.13 C=C=Cc1nccc(c1N)C 271570a_100015277604_100000763560 [0,0,1,0,0,0|2,0,1]=4 446 B11R1.13 C=C=Cc1nccc(c1O)C 271570a_100015277604_100000696282 [0,0,1,0,0,0|2,0,1]=4 447 B11R1.13 CC=Cc1cccc(c1Br)O 271570a_100016259895_100010187914 [0,0,1,0,0,0|2,0,1]=4 448 B11R1.13 CC=Cc1cccc(c1C)Br 271570a_100016259895_100012353703 [0,0,1,0,0,0|1,0,2]=4 449 B11R1.13 CC=Cc1cccc(c1C)C 271570a_100016259895_100011214922 [0,0,1,0,0,0|0,0,2]=3 450 B11R1.13 CC=Cc1cccc(c1C)Cl 271570a_100016259895_100000726075 [0,0,1,0,0,0|1,0,2]=4 451 B11R1.13 CC=Cc1cccc(c1C)F 271570a_100016259895_100011216893 [0,0,1,0,0,0|1,0,2]=4 452 B11R1.13 CC=Cc1cccc(c1C)N 271570a_100016259895_100000761887 [0,0,1,0,0,0|1,0,2]=4 453 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [0,0,1,0,0,0|1,0,2]=4 454 B11R1.13 CC=Cc1cccc(c1Cl)Br 271570a_100016259895_100010142854 [0,0,1,0,0,0|2,0,1]=4 455 B11R1.13 CC=Cc1cccc(c1Cl)C 271570a_100016259895_200012352035 [0,0,1,0,0,0|1,0,1]=3 456 B11R1.13 CC=Cc1cccc(c1Cl)Cl 271570a_100016259895_100011215384 [0,0,1,0,0,0|2,0,1]=4 457 B11R1.13 CC=Cc1cccc(c1Cl)F 271570a_100016259895_200010234923 [0,0,1,0,0,0|2,0,1]=4 458 B11R1.13 CC=Cc1cccc(c1Cl)O 271570a_100016259895_100000049636 [0,0,1,0,0,0|2,0,1]=4 459 B11R1.13 CC=Cc1cccc(c1F)Br 271570a_100016259895_100000702267 [0,0,1,0,0,0|2,0,1]=4 460 B11R1.13 CC=Cc1cccc(c1F)C 271570a_100016259895_100000717567 [0,0,1,0,0,0|1,0,1]=3 461 B11R1.13 CC=Cc1cccc(c1F)Cl 271570a_100016259895_100011217346 [0,0,1,0,0,0|2,0,1]=4 462 B11R1.13 CC=Cc1cccc(c1F)F 271570a_100016259895_100000694657 [0,0,1,0,0,0|2,0,1]=4 463 B11R1.13 CC=Cc1cccc(c1F)N 271570a_100016259895_100011935091 [0,0,1,0,0,0|2,0,1]=4 464 B11R1.13 CC=Cc1cccc(c1F)O 271570a_100016259895_100009817021 [0,0,1,0,0,0|2,0,1]=4 465 B11R1.13 CC=Cc1cccc(c1N)Br 271570a_100016259895_100010146558 [0,0,1,0,0,0|2,0,1]=4 466 B11R1.13 CC=Cc1cccc(c1N)C 271570a_100016259895_100011834072 [0,0,1,0,0,0|1,0,1]=3 467 B11R1.13 CC=Cc1cccc(c1N)Cl 271570a_100016259895_100010190421 [0,0,1,0,0,0|2,0,1]=4 468 B11R1.13 CC=Cc1cccc(c1N)F 271570a_100016259895_100000042321 [0,0,1,0,0,0|2,0,1]=4 469 B11R1.13 CC=Cc1cccc(c1N)N 271570a_100016259895_100015191791 [0,0,1,0,0,0|2,0,1]=4 470 B11R1.13 CC=Cc1cccc(c1N)O 271570a_100016259895_100011934926 [0,0,1,0,0,0|2,0,1]=4 471 B11R1.13 CC=Cc1cccc(c1O)Br 271570a_100016259895_100010084509 [0,0,1,0,0,0|2,0,1]=4 472 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [0,0,1,0,0,0|1,0,1]=3 473 B11R1.13 CC=Cc1cccc(c1O)Cl 271570a_100016259895_100010202889 [0,0,1,0,0,0|2,0,1]=4 474 B11R1.13 CC=Cc1cccc(c1O)F 271570a_100016259895_100009813666 [0,0,1,0,0,0|2,0,1]=4 475 B11R1.13 CC=Cc1cccc(c1O)N 271570a_100016259895_100011934915 [0,0,1,0,0,0|2,0,1]=4 476 B11R1.13 CC=Cc1cccc(c1O)O 271570a_100016259895_100009815950 [0,0,1,0,0,0|2,0,1]=4 477 B11R1.13 CC=Cc1cccn(c1=O)C 271570a_100016259895_100000687173 [0,0,1,0,0,0|2,0,1]=4 478 B11R1.13 CC=Cc1ccnc(c1C)C 271570a_100016259895_100009846815 [0,0,1,0,0,0|1,0,2]=4 479 B11R1.13 CC=Cc1ccnc(c1Cl)C 271570a_100016259895_100000698670 [0,0,1,0,0,0|2,0,1]=4 480 B11R1.13 CC=Cc1ccnc(c1F)C 271570a_100016259895_100009849794 [0,0,1,0,0,0|2,0,1]=4 481 B11R1.13 CC=Cc1ccnc(c1N)C 271570a_100016259895_100009885578 [0,0,1,0,0,0|2,0,1]=4 482 B11R1.13 CC=Cc1cncc(c1C)C 271570a_100016259895_100009864703 [0,0,1,0,0,0|1,0,2]=4 483 B11R1.13 CC=Cc1cncc(c1N)C 271570a_100016259895_100009818025 [0,0,1,0,0,0|2,0,1]=4 484 B11R1.13 CC=Cc1nccc(c1C)C 271570a_100016259895_100009847204 [0,0,1,0,0,0|1,0,2]=4 485 B11R1.13 CC=Cc1nccc(c1F)C 271570a_100016259895_100009817629 [0,0,1,0,0,0|2,0,1]=4 486 B11R1.13 CC=Cc1nccc(c1N)C 271570a_100016259895_100000763560 [0,0,1,0,0,0|2,0,1]=4 487 B11R1.13 CC=Cc1nccc(c1O)C 271570a_100016259895_100000696282 [0,0,1,0,0,0|2,0,1]=4 488 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,0,1,0,0,0|1,0,1]=3 489 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,0,1,0,0,0|1,0,1]=3 490 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,0,1,0,0,0|1,0,1]=3 491 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,0,1,0,0,0|1,0,1]=3 492 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,0,1,0,0,0|1,0,1]=3 493 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,0,1,0,0,0|1,0,1]=3 494 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,0,1,0,0,0|1,0,1]=3 495 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,0,1,0,0,0|1,0,1]=3 496 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,0,1,0,0,0|1,0,1]=3 497 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,0,1,0,0,0|1,0,1]=3 498 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,0,1,0,0,0|2,0,1]=4 499 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,0,1,0,0,0|2,0,1]=4 500 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,0,1,0,0,0|2,0,1]=4 501 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,0,1,0,0,0|2,0,1]=4 502 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,0,1,0,0,0|1,0,1]=3 503 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,0,1,0,0,0|2,0,1]=4 504 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,0,1,0,0,0|2,0,1]=4 505 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,0,1,0,0,0|2,0,1]=4 506 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,0,1,0,0,0|2,0,1]=4 507 B11R1.17 C=CCNc1ccncc1C 27a_100020586998_100000765111 [0,0,1,0,0,0|2,0,1]=4 508 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,0,1,0,0,0|2,0,1]=4 509 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,0,1,0,0,0|2,0,1]=4 510 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,0,1,0,0,0|1,0,1]=3 511 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,0,1,0,0,0|1,0,1]=3 512 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,0,1,0,0,0|2,0,1]=4 513 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,0,1,0,0,0|2,0,1]=4 514 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,0,1,0,0,0|2,0,1]=4 515 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,0,1,0,0,0|2,0,1]=4 516 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,0,1,0,0,0|2,0,1]=4 517 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,0,1,0,0,0|2,0,1]=4 518 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,0,1,0,0,0|2,0,1]=4 519 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,0,1,0,0,0|2,0,1]=4 520 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [0,0,1,0,0,0|2,0,1]=4 521 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [0,0,1,0,0,0|2,0,1]=4 522 B11R1.17 C=CCOc1ccncc1C 34a_100000694293_100015514636 [0,0,1,0,0,0|2,0,1]=4 523 B11R1.17 C=CCOc1cnccc1C 34a_100011997053_100015514636 [0,0,1,0,0,0|2,0,1]=4 524 B11R1.17 C=CCOc1cnccc1C 7a_100011997053_100015514636 [0,0,1,0,0,0|2,0,1]=4 525 B11R1.17 C=CCSc1cccc[n+]1C 62a_100000210623_100000212160 [0,0,1,0,0,0|2,0,1]=4 526 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,0,1,0,0,0|2,0,1]=4 527 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,0,1,0,0,0|2,0,1]=4 528 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,0,1,0,0,0|1,0,1]=3 529 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,0,1,0,0,0|1,0,1]=3 530 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,0,1,0,0,0|2,0,1]=4 531 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,0,1,0,0,0|2,0,1]=4 532 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,0,1,0,0,0|2,0,1]=4 533 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,0,1,0,0,0|2,0,1]=4 534 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,0,1,0,0,0|2,0,1]=4 535 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,0,1,0,0,0|2,0,1]=4 536 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,0,1,0,0,0|2,0,1]=4 537 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,0,1,0,0,0|2,0,1]=4 538 B11R1.17 C=CCSc1cccnc1C 62a_100000210623_100000751574 [0,0,1,0,0,0|2,0,1]=4 539 B11R1.17 C=CCSc1cccnc1C 62a_100000751574_100000210623 [0,0,1,0,0,0|2,0,1]=4 540 B11R1.17 C=CCSc1ccncc1C 62a_100000210623_100000765111 [0,0,1,0,0,0|2,0,1]=4 541 B11R1.17 C=CCSc1ccncc1C 62a_100000765111_100000210623 [0,0,1,0,0,0|2,0,1]=4 542 B11R1.17 C=CCSc1cnccc1C 62a_100000210623_100000761580 [0,0,1,0,0,0|2,0,1]=4 543 B11R1.17 C=CCSc1cnccc1C 62a_100000761580_100000210623 [0,0,1,0,0,0|2,0,1]=4 544 B11R1.17 C=CCSc1ncccc1C 62a_100000210623_100000751373 [0,0,1,0,0,0|2,0,1]=4 545 B11R1.17 C=CCSc1ncccc1C 62a_100000751373_100000210623 [0,0,1,0,0,0|2,0,1]=4 546 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,0,1,0,0,0|2,0,1]=4 547 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,0,1,0,0,0|2,0,1]=4 548 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,0,1,0,0,0|2,0,1]=4 549 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,0,1,0,0,0|2,0,1]=4 550 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,0,1,0,0,0|2,0,1]=4 551 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,0,1,0,0,0|2,0,1]=4 552 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,0,1,0,0,0|2,0,1]=4 553 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,0,1,0,0,0|1,0,1]=3 554 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,0,1,0,0,0|1,0,1]=3 555 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,0,1,0,0,0|2,0,1]=4 556 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,0,1,0,0,0|2,0,1]=4 557 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,0,1,0,0,0|2,0,1]=4 558 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,0,1,0,0,0|2,0,1]=4 559 B11R1.24 C=CCNc1ccnc(c1)C 27a_100020586998_100000758586 [0,0,1,0,0,0|2,0,1]=4 560 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,0,1,0,0,0|2,0,1]=4 561 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,0,1,0,0,0|2,0,1]=4 562 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,0,1,0,0,0|1,0,1]=3 563 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,0,1,0,0,0|1,0,1]=3 564 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,0,1,0,0,0|2,0,1]=4 565 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,0,1,0,0,0|2,0,1]=4 566 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,0,1,0,0,0|2,0,1]=4 567 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,0,1,0,0,0|2,0,1]=4 568 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,0,1,0,0,0|2,0,1]=4 569 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,0,1,0,0,0|2,0,1]=4 570 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,0,1,0,0,0|2,0,1]=4 571 B11R1.24 C=CCOc1ccnc(c1)C 34a_100000688365_100015514636 [0,0,1,0,0,0|2,0,1]=4 572 B11R1.24 C=CCOc1cncc(c1)C 34a_100011830280_100015514636 [0,0,1,0,0,0|2,0,1]=4 573 B11R1.24 C=CCOc1cncc(c1)C 7a_100011830280_100015514636 [0,0,1,0,0,0|2,0,1]=4 574 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000210623_100000750283 [0,0,1,0,0,0|2,0,1]=4 575 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000750283_100000210623 [0,0,1,0,0,0|2,0,1]=4 576 B11R1.24 C=CCSc1ccc[n+](c1)C 62a_100000210623_100009996589 [0,0,1,0,0,0|2,0,1]=4 577 B11R1.24 C=CCSc1ccc[n+](c1)C 62a_100009996589_100000210623 [0,0,1,0,0,0|2,0,1]=4 578 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,0,1,0,0,0|2,0,1]=4 579 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,0,1,0,0,0|2,0,1]=4 580 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,0,1,0,0,0|1,0,1]=3 581 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,0,1,0,0,0|1,0,1]=3 582 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,0,1,0,0,0|2,0,1]=4 583 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,0,1,0,0,0|2,0,1]=4 584 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,0,1,0,0,0|2,0,1]=4 585 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,0,1,0,0,0|2,0,1]=4 586 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,0,1,0,0,0|2,0,1]=4 587 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,0,1,0,0,0|2,0,1]=4 588 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,0,1,0,0,0|2,0,1]=4 589 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,0,1,0,0,0|2,0,1]=4 590 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,0,1,0,0,0|2,0,1]=4 591 B11R1.24 C=CCSc1cccc(n1)C 62a_100000210623_100000742759 [0,0,1,0,0,0|2,0,1]=4 592 B11R1.24 C=CCSc1cccc(n1)C 62a_100000742759_100000210623 [0,0,1,0,0,0|2,0,1]=4 593 B11R1.24 C=CCSc1ccnc(c1)C 62a_100000210623_100000758586 [0,0,1,0,0,0|2,0,1]=4 594 B11R1.24 C=CCSc1ccnc(c1)C 62a_100000758586_100000210623 [0,0,1,0,0,0|2,0,1]=4 595 B11R1.24 C=CCSc1cncc(c1)C 62a_100000210623_100000760492 [0,0,1,0,0,0|2,0,1]=4 596 B11R1.24 C=CCSc1cncc(c1)C 62a_100000760492_100000210623 [0,0,1,0,0,0|2,0,1]=4 597 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [0,0,1,0,0,0|2,0,1]=4 598 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,0,1,0,0,0|2,0,1]=4 599 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,0,1,0,0,0|2,0,1]=4 600 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,0,1,0,0,0|2,0,1]=4 601 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,0,1,0,0,0|2,0,1]=4 602 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,0,1,0,0,0|2,0,1]=4 603 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,0,1,0,0,0|2,0,1]=4 604 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,0,1,0,0,0|1,0,1]=3 605 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,0,1,0,0,0|1,0,1]=3 606 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,0,1,0,0,0|1,0,1]=3 607 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,0,1,0,0,0|2,0,1]=4 608 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,0,1,0,0,0|2,0,1]=4 609 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,0,1,0,0,0|2,0,1]=4 610 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,0,1,0,0,0|1,0,1]=3 611 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,0,1,0,0,0|1,0,1]=3 612 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,0,1,0,0,0|2,0,1]=4 613 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,0,1,0,0,0|2,0,1]=4 614 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [0,0,1,0,0,0|2,0,1]=4 615 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [0,0,1,0,0,0|2,0,1]=4 616 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [0,0,1,0,0,0|2,0,1]=4 617 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [0,0,1,0,0,0|2,0,1]=4 618 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,0,1,0,0,0|1,0,1]=3 619 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,0,1,0,0,0|1,0,1]=3 620 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,0,1,0,0,0|1,0,1]=3 621 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,0,1,0,0,0|2,0,1]=4 622 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,0,1,0,0,0|2,0,1]=4 623 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,0,1,0,0,0|2,0,1]=4 624 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,0,1,0,0,0|1,0,1]=3 625 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,0,1,0,0,0|1,0,1]=3 626 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,0,1,0,0,0|2,0,1]=4 627 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,0,1,0,0,0|2,0,1]=4 628 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [0,0,1,0,0,0|2,0,1]=4 629 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [0,0,1,0,0,0|2,0,1]=4 630 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [0,0,1,0,0,0|2,0,1]=4 631 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [0,0,1,0,0,0|2,0,1]=4 632 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,0,1,0,0,0|2,0,1]=4 633 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,0,1,0,0,0|2,0,1]=4 634 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,0,1,0,0,0|0,0,2]=3 635 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,0,1,0,0,0|1,0,2]=4 636 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,0,1,0,0,0|1,0,2]=4 637 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,0,1,0,0,0|1,0,2]=4 638 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,0,1,0,0,0|2,0,1]=4 639 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,0,1,0,0,0|1,0,1]=3 640 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [0,0,1,0,0,0|2,0,1]=4 641 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [0,0,1,0,0,0|2,0,1]=4 642 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [0,0,1,0,0,0|2,0,1]=4 643 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,0,1,0,0,0|1,0,1]=3 644 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,0,1,0,0,0|1,0,1]=3 645 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,0,1,0,0,0|1,0,1]=3 646 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,0,1,0,0,0|1,0,1]=3 647 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,0,1,0,0,0|1,0,1]=3 648 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,0,1,0,0,0|1,0,1]=3 649 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,0,1,0,0,0|1,0,1]=3 650 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,0,1,0,0,0|1,0,1]=3 651 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [0,0,1,0,0,0|2,0,1]=4 652 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,0,1,0,0,0|1,0,1]=3 653 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,0,1,0,0,0|2,0,1]=4 654 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [0,0,1,0,0,0|2,0,1]=4 655 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [0,0,1,0,0,0|2,0,1]=4 656 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,0,1,0,0,0|1,0,1]=3 657 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,0,1,0,0,0|1,0,1]=3 658 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,0,1,0,0,0|1,0,1]=3 659 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,0,1,0,0,0|1,0,1]=3 660 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,0,1,0,0,0|1,0,1]=3 661 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [0,0,1,0,0,0|2,0,1]=4 662 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,0,1,0,0,0|1,0,1]=3 663 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,0,1,0,0,0|1,0,1]=3 664 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,0,1,0,0,0|1,0,1]=3 665 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,0,1,0,0,0|1,0,1]=3 666 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,0,1,0,0,0|1,0,1]=3 667 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,0,1,0,0,0|1,0,1]=3 668 B11R1.41 C=C=Cc1ccccc1C#N 271570a_100015277604_100000188569 [0,0,1,0,0,0|1,0,2]=4 669 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [0,0,1,0,0,0|1,0,1]=3 670 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [0,0,1,0,0,0|0,0,2]=3 671 B11R1.41 C=C=Cc1ccccc1CN 271570a_100015277604_100000689332 [0,0,1,0,0,0|1,0,2]=4 672 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [0,0,1,0,0,0|1,0,2]=4 673 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [0,0,1,0,0,0|1,0,1]=3 674 B11R1.41 C=C=Cc1ccccc1NN 271570a_100015277604_100000241748 [0,0,1,0,0,0|2,0,1]=4 675 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [0,0,1,0,0,0|1,0,1]=3 676 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [0,0,1,0,0,0|1,0,1]=3 677 B11R1.41 C=C=Cc1cccnc1C=O 271570a_100015277604_100011934733 [0,0,1,0,0,0|2,0,1]=4 678 B11R1.41 C=C=Cc1cccnc1CC 271570a_100015277604_100009877225 [0,0,1,0,0,0|1,0,2]=4 679 B11R1.41 C=C=Cc1cccnc1NC 271570a_100015277604_100000700899 [0,0,1,0,0,0|2,0,1]=4 680 B11R1.41 C=C=Cc1cccnc1OC 271570a_100015277604_100000047025 [0,0,1,0,0,0|2,0,1]=4 681 B11R1.41 C=C=Cc1cccnc1SC 271570a_100015277604_100011465278 [0,0,1,0,0,0|2,0,1]=4 682 B11R1.41 C=C=Cc1ccncc1C=O 271570a_100015277604_100000050567 [0,0,1,0,0,0|2,0,1]=4 683 B11R1.41 C=C=Cc1ccncc1CC 271570a_100015277604_100025704421 [0,0,1,0,0,0|1,0,2]=4 684 B11R1.41 C=C=Cc1ccncc1OC 271570a_100015277604_100016988167 [0,0,1,0,0,0|2,0,1]=4 685 B11R1.41 C=C=Cc1cnccc1C=O 271570a_100015277604_100011934409 [0,0,1,0,0,0|2,0,1]=4 686 B11R1.41 C=C=Cc1cnccc1CC 271570a_100015277604_100009819861 [0,0,1,0,0,0|1,0,2]=4 687 B11R1.41 C=C=Cc1cnccc1NC 271570a_100015277604_100010069531 [0,0,1,0,0,0|2,0,1]=4 688 B11R1.41 C=C=Cc1cnccc1OC 271570a_100015277604_100011997281 [0,0,1,0,0,0|2,0,1]=4 689 B11R1.41 C=C=Cc1ncccc1C=O 271570a_100015277604_100009816751 [0,0,1,0,0,0|2,0,1]=4 690 B11R1.41 C=C=Cc1ncccc1NC 271570a_100015277604_200011806188 [0,0,1,0,0,0|2,0,1]=4 691 B11R1.41 C=C=Cc1ncccc1OC 271570a_100015277604_100000690851 [0,0,1,0,0,0|2,0,1]=4 692 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [0,0,1,0,0,0|0,0,2]=3 693 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [0,0,1,0,0,0|1,0,1]=3 694 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [0,0,1,0,0,0|1,0,1]=3 695 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [0,0,1,0,0,0|1,0,1]=3 696 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [0,0,1,0,0,0|1,0,1]=3 697 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [0,0,1,0,0,0|1,0,1]=3 698 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [0,0,1,0,0,0|1,0,1]=3 699 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [0,0,1,0,0,0|1,0,1]=3 700 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [0,0,1,0,0,0|1,0,1]=3 701 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [0,0,1,0,0,0|1,0,1]=3 702 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [0,0,1,0,0,0|1,0,1]=3 703 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [0,0,1,0,0,0|1,0,1]=3 704 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [0,0,1,0,0,0|1,0,1]=3 705 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [0,0,1,0,0,0|1,0,2]=4 706 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,0,1,0,0,0|1,0,1]=3 707 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,0,1,0,0,0|0,0,2]=3 708 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [0,0,1,0,0,0|1,0,2]=4 709 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,0,1,0,0,0|1,0,2]=4 710 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,0,1,0,0,0|1,0,1]=3 711 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [0,0,1,0,0,0|2,0,1]=4 712 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,0,1,0,0,0|1,0,1]=3 713 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,0,1,0,0,0|1,0,1]=3 714 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [0,0,1,0,0,0|2,0,1]=4 715 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,0,1,0,0,0|1,0,2]=4 716 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,0,1,0,0,0|2,0,1]=4 717 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,0,1,0,0,0|2,0,1]=4 718 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,0,1,0,0,0|2,0,1]=4 719 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [0,0,1,0,0,0|2,0,1]=4 720 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [0,0,1,0,0,0|1,0,2]=4 721 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [0,0,1,0,0,0|2,0,1]=4 722 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [0,0,1,0,0,0|2,0,1]=4 723 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [0,0,1,0,0,0|1,0,2]=4 724 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [0,0,1,0,0,0|2,0,1]=4 725 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [0,0,1,0,0,0|2,0,1]=4 726 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [0,0,1,0,0,0|2,0,1]=4 727 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,0,1,0,0,0|2,0,1]=4 728 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,0,1,0,0,0|2,0,1]=4 729 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,0,1,0,0,0|3,0,0]=4 730 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,0,1,0,0,0|3,0,0]=4 731 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,0,1,0,0,0|3,0,0]=4 732 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,0,1,0,0,0|3,0,0]=4 733 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,0,1,0,0,0|1,0,2]=4 734 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,0,1,0,0,0|1,0,2]=4 735 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,0,1,0,0,0|1,0,1]=3 736 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,0,1,0,0,0|1,0,0]=2 737 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,0,1,0,0,0|0,0,2]=3 738 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,0,1,0,0,0|1,0,1]=3 739 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,0,1,0,0,0|1,0,1]=3 740 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,0,1,0,0,0|1,0,1]=3 741 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,0,1,0,0,0|1,0,1]=3 742 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,0,1,0,0,0|2,0,0]=3 743 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,0,1,0,0,0|1,0,1]=3 744 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,0,1,0,0,0|1,0,1]=3 745 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,0,1,0,0,0|1,0,1]=3 746 B11R1.53 C=C(C)c1cccnc1C#N 271570a_100000694244_100000685805 [0,0,1,0,0,0|2,0,1]=4 747 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [0,0,1,0,0,0|2,0,0]=3 748 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,0,1,0,0,0|1,0,2]=4 749 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,0,1,0,0,0|2,0,1]=4 750 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,0,1,0,0,0|2,0,1]=4 751 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,0,1,0,0,0|2,0,1]=4 752 B11R1.53 C=C(C)c1cccnc1NN 271570a_100000694244_100011464834 [0,0,1,0,0,0|3,0,0]=4 753 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,0,1,0,0,0|2,0,1]=4 754 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,0,1,0,0,0|2,0,1]=4 755 B11R1.53 C=C(C)c1ccncc1C#N 271570a_100000694244_100000687039 [0,0,1,0,0,0|2,0,1]=4 756 B11R1.53 C=C(C)c1ccncc1C=O 271570a_100000694244_100000050567 [0,0,1,0,0,0|2,0,0]=3 757 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,0,1,0,0,0|1,0,2]=4 758 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,0,1,0,0,0|2,0,1]=4 759 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,0,1,0,0,0|2,0,1]=4 760 B11R1.53 C=C(C)c1cnccc1C#N 271570a_100000694244_100000684818 [0,0,1,0,0,0|2,0,1]=4 761 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [0,0,1,0,0,0|2,0,0]=3 762 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,0,1,0,0,0|1,0,2]=4 763 B11R1.53 C=C(C)c1cnccc1CN 271570a_100000694244_100020640021 [0,0,1,0,0,0|2,0,1]=4 764 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,0,1,0,0,0|2,0,1]=4 765 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,0,1,0,0,0|2,0,1]=4 766 B11R1.53 C=C(C)c1cnccc1NN 271570a_100000694244_100013404636 [0,0,1,0,0,0|3,0,0]=4 767 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,0,1,0,0,0|2,0,1]=4 768 B11R1.53 C=C(C)c1ncccc1C#N 271570a_100000694244_100000211984 [0,0,1,0,0,0|2,0,1]=4 769 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,0,1,0,0,0|2,0,0]=3 770 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,0,1,0,0,0|2,0,1]=4 771 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,0,1,0,0,0|2,0,1]=4 772 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,0,1,0,0,0|2,0,1]=4 773 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,0,1,0,0,0|2,0,1]=4 774 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [0,0,1,0,0,0|3,0,0]=4 775 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,0,1,0,0,0|1,0,0]=2 776 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,0,1,0,0,0|1,0,0]=2 777 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,0,1,0,0,0|2,0,0]=3 778 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,0,1,0,0,0|1,0,0]=2 779 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [0,0,1,0,0,0|0,0,2]=3 780 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [0,0,1,0,0,0|1,0,1]=3 781 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,0,1,0,0,0|1,0,1]=3 782 B11R1.53 C=Cc1ccccc1C(F)F 271570a_100011290941_100010169824 [0,0,1,0,0,0|2,0,1]=4 783 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [0,0,1,0,0,0|1,0,1]=3 784 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,0,1,0,0,0|2,0,0]=3 785 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,0,1,0,0,0|2,0,0]=3 786 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,0,1,0,0,0|3,0,0]=4 787 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,0,1,0,0,0|2,0,1]=4 788 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [0,0,1,0,0,0|2,0,1]=4 789 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,0,1,0,0,0|2,0,1]=4 790 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,0,1,0,0,0|2,0,0]=3 791 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,0,1,0,0,0|3,0,0]=4 792 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,0,1,0,0,0|2,0,0]=3 793 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,0,1,0,0,0|3,0,0]=4 794 B11R1.53 C=Cc1cnccc1N(C)C 271570a_100011290941_100012355995 [0,0,1,0,0,0|2,0,1]=4 795 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,0,1,0,0,0|2,0,0]=3 796 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,0,1,0,0,0|3,0,0]=4 797 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,0,1,0,0,0|1,0,2]=4 798 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [0,0,1,0,0,0|2,0,1]=4 799 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,0,1,0,0,0|3,0,0]=4 800 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,0,1,0,0,0|2,0,1]=4 801 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,0,1,0,0,0|2,0,1]=4 802 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,0,1,0,0,0|3,0,0]=4 803 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,0,1,0,0,0|2,0,1]=4 804 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,0,1,0,0,0|1,0,2]=4 805 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,0,1,0,0,0|1,0,2]=4 806 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,0,1,0,0,0|2,0,1]=4 807 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,0,1,0,0,0|2,0,1]=4 808 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,0,1,0,0,0|2,0,1]=4 809 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,0,1,0,0,0|2,0,1]=4 810 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,0,1,0,0,0|2,0,1]=4 811 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,0,1,0,0,0|2,0,1]=4 812 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,0,1,0,0,0|2,0,1]=4 813 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,0,1,0,0,0|3,0,0]=4 814 B11R1.265 C=Cc1c(cccc1C#N)Br 271570a_100011290941_100000703783 [0,0,1,0,0,0|2,0,1]=4 815 B11R1.265 C=Cc1c(cccc1C#N)C 271570a_100011290941_100011934862 [0,0,1,0,0,0|1,0,1]=3 816 B11R1.265 C=Cc1c(cccc1C#N)Cl 271570a_100011290941_100010134094 [0,0,1,0,0,0|2,0,1]=4 817 B11R1.265 C=Cc1c(cccc1C#N)F 271570a_100011290941_100011219237 [0,0,1,0,0,0|2,0,1]=4 818 B11R1.265 C=Cc1c(cccc1C#N)N 271570a_100011290941_100009877206 [0,0,1,0,0,0|2,0,1]=4 819 B11R1.265 C=Cc1c(cccc1C#N)O 271570a_100011290941_100009818990 [0,0,1,0,0,0|2,0,1]=4 820 B11R1.265 C=Cc1c(cccc1C=O)F 271570a_100011290941_100011998484 [0,0,1,0,0,0|2,0,0]=3 821 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [0,0,1,0,0,0|2,0,0]=3 822 B11R1.265 C=Cc1c(cccc1CC)C 271570a_100011290941_100000036235 [0,0,1,0,0,0|0,0,2]=3 823 B11R1.265 C=Cc1c(cccc1CO)Br 271570a_100011290941_100010146604 [0,0,1,0,0,0|2,0,1]=4 824 B11R1.265 C=Cc1c(cccc1CO)C 271570a_100011290941_100011659289 [0,0,1,0,0,0|1,0,1]=3 825 B11R1.265 C=Cc1c(cccc1CO)F 271570a_100011290941_100000692438 [0,0,1,0,0,0|2,0,1]=4 826 B11R1.265 C=Cc1c(cccc1OC)Br 271570a_100011290941_100010131421 [0,0,1,0,0,0|2,0,1]=4 827 B11R1.265 C=Cc1c(cccc1OC)F 271570a_100011290941_100000041735 [0,0,1,0,0,0|2,0,1]=4 828 B11R1.265 C=Cc1c(cccc1OC)N 271570a_100011290941_100000703447 [0,0,1,0,0,0|2,0,1]=4 829 B11R1.265 C=Cc1c(cccc1OC)O 271570a_100011290941_100010202623 [0,0,1,0,0,0|2,0,1]=4 830 B11R1.265 C=Cc1c(ccnc1C#N)C 271570a_100011290941_100009878727 [0,0,1,0,0,0|2,0,1]=4 831 B11R1.265 C=Cc1c(ccnc1F)C=O 271570a_100011290941_100009856171 [0,0,1,0,0,0|3,0,0]=4 832 B11R1.265 C=Cc1c(ccnc1OC)C 271570a_100011290941_100012353928 [0,0,1,0,0,0|2,0,1]=4 833 B11R1.265 C=Cc1cccc(c1C#N)Br 271570a_100011290941_100010071968 [0,0,1,0,0,0|2,0,1]=4 834 B11R1.265 C=Cc1cccc(c1C#N)C 271570a_100011290941_100009819585 [0,0,1,0,0,0|1,0,1]=3 835 B11R1.265 C=Cc1cccc(c1C#N)Cl 271570a_100011290941_200000049503 [0,0,1,0,0,0|2,0,1]=4 836 B11R1.265 C=Cc1cccc(c1C#N)F 271570a_100011290941_100000699744 [0,0,1,0,0,0|2,0,1]=4 837 B11R1.265 C=Cc1cccc(c1C#N)N 271570a_100011290941_100011935054 [0,0,1,0,0,0|2,0,1]=4 838 B11R1.265 C=Cc1cccc(c1C#N)O 271570a_100011290941_100012180507 [0,0,1,0,0,0|2,0,1]=4 839 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [0,0,1,0,0,0|1,0,0]=2 840 B11R1.265 C=Cc1cccc(c1C=O)Cl 271570a_100011290941_100010147682 [0,0,1,0,0,0|2,0,0]=3 841 B11R1.265 C=Cc1cccc(c1C=O)F 271570a_100011290941_100000210083 [0,0,1,0,0,0|2,0,0]=3 842 B11R1.265 C=Cc1cccc(c1C=O)N 271570a_100011290941_100010232536 [0,0,1,0,0,0|2,0,0]=3 843 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [0,0,1,0,0,0|2,0,0]=3 844 B11R1.265 C=Cc1cccc(c1CN)F 271570a_100011290941_100012349121 [0,0,1,0,0,0|2,0,1]=4 845 B11R1.265 C=Cc1cccc(c1CO)F 271570a_100011290941_100012355691 [0,0,1,0,0,0|2,0,1]=4 846 B11R1.265 C=Cc1cccc(c1CO)N 271570a_100011290941_100000747656 [0,0,1,0,0,0|2,0,1]=4 847 B11R1.265 C=Cc1cccc(c1NC)N 271570a_100011290941_100010510394 [0,0,1,0,0,0|2,0,1]=4 848 B11R1.265 C=Cc1cccc(c1NN)F 271570a_100011290941_100016994982 [0,0,1,0,0,0|3,0,0]=4 849 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [0,0,1,0,0,0|2,0,1]=4 850 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,0,1,0,0,0|1,0,1]=3 851 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [0,0,1,0,0,0|2,0,1]=4 852 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [0,0,1,0,0,0|2,0,1]=4 853 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [0,0,1,0,0,0|2,0,1]=4 854 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,0,1,0,0,0|2,0,1]=4 855 B11R1.265 C=Cc1cccc(c1SC)F 271570a_100011290941_200010709249 [0,0,1,0,0,0|2,0,1]=4 856 B11R1.265 C=Cc1ccnc(c1C=O)Cl 271570a_100011290941_100000047006 [0,0,1,0,0,0|3,0,0]=4 857 B11R1.265 C=Cc1ccnc(c1C=O)F 271570a_100011290941_100009828249 [0,0,1,0,0,0|3,0,0]=4 858 B11R1.265 C=Cc1ccnc(c1C=O)N 271570a_100011290941_100009843235 [0,0,1,0,0,0|3,0,0]=4 859 B11R1.265 C=Cc1ccnc(c1OC)C 271570a_100011290941_100000685116 [0,0,1,0,0,0|2,0,1]=4 860 B11R1.265 C=Cc1cncc(c1C#N)C 271570a_100011290941_200009887794 [0,0,1,0,0,0|2,0,1]=4 861 B11R1.265 C=Cc1cncc(c1C=O)F 271570a_100011290941_100010064882 [0,0,1,0,0,0|3,0,0]=4 862 B11R1.265 C=Cc1nccc(c1C#N)C 271570a_100011290941_100000691447 [0,0,1,0,0,0|2,0,1]=4 863 B11R1.265 C=Cc1nccc(c1C=O)O 271570a_100011290941_200010729673 [0,0,1,0,0,0|3,0,0]=4 864 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [0,0,1,0,0,0|2,0,1]=4 865 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [0,0,1,0,0,0|2,0,1]=4 866 B11R1.265 CSc1cccc(c1C=O)C 62a_100000041122_200000210301 [0,0,1,0,0,0|2,0,1]=4 867 B11R1.265 CSc1cccc(c1C=O)C 62a_200000210301_100000041122 [0,0,1,0,0,0|2,0,1]=4 868 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_100000041122_200025704644 [0,0,1,0,0,0|2,0,1]=4 869 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_200025704644_100000041122 [0,0,1,0,0,0|2,0,1]=4 870 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [0,0,1,0,0,0|2,0,1]=4 871 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [0,0,1,0,0,0|2,0,1]=4 872 B11R1.605 C=C=Cc1c(ccc[n+]1[O-])C 271570a_100015277604_100116209805 [0,0,1,0,0,0|2,0,1]=4 873 B11R1.605 C=C=Cc1c(cccc1Br)Br 271570a_100015277604_100009994525 [0,0,1,0,0,0|2,0,1]=4 874 B11R1.605 C=C=Cc1c(cccc1Br)Cl 271570a_100015277604_100010214488 [0,0,1,0,0,0|2,0,1]=4 875 B11R1.605 C=C=Cc1c(cccc1Br)F 271570a_100015277604_100011219512 [0,0,1,0,0,0|2,0,1]=4 876 B11R1.605 C=C=Cc1c(cccc1Br)N 271570a_100015277604_100020590159 [0,0,1,0,0,0|2,0,1]=4 877 B11R1.605 C=C=Cc1c(cccc1Br)O 271570a_100015277604_100010187912 [0,0,1,0,0,0|2,0,1]=4 878 B11R1.605 C=C=Cc1c(cccc1C)C 271570a_100015277604_100000033847 [0,0,1,0,0,0|0,0,2]=3 879 B11R1.605 C=C=Cc1c(cccc1Cl)C 271570a_100015277604_100000043165 [0,0,1,0,0,0|1,0,1]=3 880 B11R1.605 C=C=Cc1c(cccc1Cl)Cl 271570a_100015277604_100000034237 [0,0,1,0,0,0|2,0,1]=4 881 B11R1.605 C=C=Cc1c(cccc1Cl)F 271570a_100015277604_100000050007 [0,0,1,0,0,0|2,0,1]=4 882 B11R1.605 C=C=Cc1c(cccc1Cl)N 271570a_100015277604_100000049713 [0,0,1,0,0,0|2,0,1]=4 883 B11R1.605 C=C=Cc1c(cccc1Cl)O 271570a_100015277604_100000050174 [0,0,1,0,0,0|2,0,1]=4 884 B11R1.605 C=C=Cc1c(cccc1F)C 271570a_100015277604_100012349962 [0,0,1,0,0,0|1,0,1]=3 885 B11R1.605 C=C=Cc1c(cccc1F)F 271570a_100015277604_100000693133 [0,0,1,0,0,0|2,0,1]=4 886 B11R1.605 C=C=Cc1c(cccc1F)N 271570a_100015277604_100011934729 [0,0,1,0,0,0|2,0,1]=4 887 B11R1.605 C=C=Cc1c(cccc1F)O 271570a_100015277604_100009820682 [0,0,1,0,0,0|2,0,1]=4 888 B11R1.605 C=C=Cc1c(cccc1N)C 271570a_100015277604_100000684715 [0,0,1,0,0,0|1,0,1]=3 889 B11R1.605 C=C=Cc1c(cccc1O)C 271570a_100015277604_100000686692 [0,0,1,0,0,0|1,0,1]=3 890 B11R1.605 C=C=Cc1c(cccc1O)N 271570a_100015277604_100012183704 [0,0,1,0,0,0|2,0,1]=4 891 B11R1.605 C=C=Cc1c(cccc1O)O 271570a_100015277604_100010205330 [0,0,1,0,0,0|2,0,1]=4 892 B11R1.605 C=C=Cc1c(ccnc1C)C 271570a_100015277604_100012000501 [0,0,1,0,0,0|1,0,2]=4 893 B11R1.605 C=C=Cc1c(ccnc1C)N 271570a_100015277604_100010243816 [0,0,1,0,0,0|2,0,1]=4 894 B11R1.605 C=C=Cc1c(ccnc1F)C 271570a_100015277604_100009818256 [0,0,1,0,0,0|2,0,1]=4 895 B11R1.605 C=C=Cc1c(ccnc1N)C 271570a_100015277604_100011998619 [0,0,1,0,0,0|2,0,1]=4 896 B11R1.605 C=C=Cc1c(ccnc1O)C 271570a_100015277604_100012000493 [0,0,1,0,0,0|2,0,1]=4 897 B11R1.605 C=C=Cc1c(cncc1C)C 271570a_100015277604_100009817138 [0,0,1,0,0,0|1,0,2]=4 898 B11R1.605 CC=Cc1c(ccc[n+]1[O-])C 271570a_100016259895_100116209805 [0,0,1,0,0,0|2,0,1]=4 899 B11R1.605 CC=Cc1c(cccc1Br)Br 271570a_100016259895_100009994525 [0,0,1,0,0,0|2,0,1]=4 900 B11R1.605 CC=Cc1c(cccc1Br)Cl 271570a_100016259895_100010214488 [0,0,1,0,0,0|2,0,1]=4 901 B11R1.605 CC=Cc1c(cccc1Br)F 271570a_100016259895_100011219512 [0,0,1,0,0,0|2,0,1]=4 902 B11R1.605 CC=Cc1c(cccc1Br)N 271570a_100016259895_100020590159 [0,0,1,0,0,0|2,0,1]=4 903 B11R1.605 CC=Cc1c(cccc1Br)O 271570a_100016259895_100010187912 [0,0,1,0,0,0|2,0,1]=4 904 B11R1.605 CC=Cc1c(cccc1C)C 271570a_100016259895_100000033847 [0,0,1,0,0,0|0,0,2]=3 905 B11R1.605 CC=Cc1c(cccc1Cl)C 271570a_100016259895_100000043165 [0,0,1,0,0,0|1,0,1]=3 906 B11R1.605 CC=Cc1c(cccc1Cl)Cl 271570a_100016259895_100000034237 [0,0,1,0,0,0|2,0,1]=4 907 B11R1.605 CC=Cc1c(cccc1Cl)F 271570a_100016259895_100000050007 [0,0,1,0,0,0|2,0,1]=4 908 B11R1.605 CC=Cc1c(cccc1Cl)N 271570a_100016259895_100000049713 [0,0,1,0,0,0|2,0,1]=4 909 B11R1.605 CC=Cc1c(cccc1Cl)O 271570a_100016259895_100000050174 [0,0,1,0,0,0|2,0,1]=4 910 B11R1.605 CC=Cc1c(cccc1F)C 271570a_100016259895_100012349962 [0,0,1,0,0,0|1,0,1]=3 911 B11R1.605 CC=Cc1c(cccc1F)F 271570a_100016259895_100000693133 [0,0,1,0,0,0|2,0,1]=4 912 B11R1.605 CC=Cc1c(cccc1F)N 271570a_100016259895_100011934729 [0,0,1,0,0,0|2,0,1]=4 913 B11R1.605 CC=Cc1c(cccc1F)O 271570a_100016259895_100009820682 [0,0,1,0,0,0|2,0,1]=4 914 B11R1.605 CC=Cc1c(cccc1N)C 271570a_100016259895_100000684715 [0,0,1,0,0,0|1,0,1]=3 915 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [0,0,1,0,0,0|1,0,1]=3 916 B11R1.605 CC=Cc1c(cccc1O)N 271570a_100016259895_100012183704 [0,0,1,0,0,0|2,0,1]=4 917 B11R1.605 CC=Cc1c(cccc1O)O 271570a_100016259895_100010205330 [0,0,1,0,0,0|2,0,1]=4 918 B11R1.605 CC=Cc1c(ccnc1C)C 271570a_100016259895_100012000501 [0,0,1,0,0,0|1,0,2]=4 919 B11R1.605 CC=Cc1c(ccnc1C)N 271570a_100016259895_100010243816 [0,0,1,0,0,0|2,0,1]=4 920 B11R1.605 CC=Cc1c(ccnc1F)C 271570a_100016259895_100009818256 [0,0,1,0,0,0|2,0,1]=4 921 B11R1.605 CC=Cc1c(ccnc1N)C 271570a_100016259895_100011998619 [0,0,1,0,0,0|2,0,1]=4 922 B11R1.605 CC=Cc1c(ccnc1O)C 271570a_100016259895_100012000493 [0,0,1,0,0,0|2,0,1]=4 923 B11R1.605 CC=Cc1c(cncc1C)C 271570a_100016259895_100009817138 [0,0,1,0,0,0|1,0,2]=4 924 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,0,0,0,1,0|3,0,0]=4 925 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [0,0,0,0,1,0|3,0,0]=4 926 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,0,0,0,1,0|3,0,0]=4 927 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,0,0,0,1,0|3,0,0]=4 928 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [0,0,0,0,1,0|3,0,0]=4 929 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [0,0,0,0,1,0|3,0,0]=4 930 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,0,1,0|2,0,0]=3 931 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,0,1,0|3,0,0]=4 932 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,0,1,0|2,0,0]=3 933 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,0,0,0,1,0|3,0,0]=4 934 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [0,0,0,0,1,0|3,0,0]=4 935 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,0,0,0,1,0|3,0,0]=4 936 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,0,0,0,1,0|3,0,0]=4 937 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,0,1,0|3,0,0]=4 938 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [0,0,0,0,1,0|3,0,0]=4 939 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [0,0,0,0,1,0|1,0,1]=3 940 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [0,0,0,0,1,0|2,0,0]=3 941 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [0,0,0,0,1,0|3,0,0]=4 942 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [0,0,0,0,1,0|2,0,0]=3 943 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [0,0,0,0,1,0|2,0,0]=3 944 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [0,0,0,0,1,0|2,0,0]=3 945 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [0,0,0,0,1,0|3,0,0]=4 946 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [0,0,0,0,1,0|3,0,0]=4 947 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [0,0,0,0,1,0|3,0,0]=4 948 B11R2.106 Oc1cccc2c1nco2 271570a_203496583355_100009816834 [0,0,0,0,1,0|3,0,0]=4 949 B11R2.106 Oc1cccc2c1ncs2 271570a_203496583355_100000726125 [0,0,0,0,1,0|3,0,0]=4 950 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [0,0,0,0,1,0|2,0,0]=3 951 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [0,0,0,0,1,0|3,0,0]=4 952 B11R2.106 Oc1cccc2c1onc2 271570a_203496583355_100000765530 [0,0,0,0,1,0|3,0,0]=4 953 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [0,0,0,0,1,0|2,0,0]=3 954 B11R2.106 Oc1cccc2c1scn2 271570a_203496583355_100010246326 [0,0,0,0,1,0|3,0,0]=4 955 B11R2.106 Oc1cccc2n1ccn2 271570a_203496583355_100000762677 [0,0,0,0,1,0|3,0,0]=4 956 B11R2.106 Oc1cccc2n1cnc2 271570a_203496583355_100009817730 [0,0,0,0,1,0|3,0,0]=4 957 B11R2.106 Oc1cccc2n1ncc2 271570a_203496583355_100009817731 [0,0,0,0,1,0|3,0,0]=4 958 B11R2.106 Oc1cccn2c1ccn2 271570a_203496583355_100010767162 [0,0,0,0,1,0|3,0,0]=4 959 B11R2.106 Oc1cccn2c1cnc2 271570a_203496583355_100009857155 [0,0,0,0,1,0|3,0,0]=4 960 B11R2.106 Oc1cccn2c1ncc2 271570a_203496583355_100011934911 [0,0,0,0,1,0|3,0,0]=4 961 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,0,0,0,1,0|3,0,0]=4 962 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [0,0,0,0,1,0|3,0,0]=4 963 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [0,0,0,0,1,0|3,0,0]=4 964 B11R2.106 Oc1ccnc2c1occ2 271570a_203496583355_100009853057 [0,0,0,0,1,0|3,0,0]=4 965 B11R2.106 Oc1ccnc2c1scc2 271570a_203496583355_100000723842 [0,0,0,0,1,0|3,0,0]=4 966 B11R2.106 Oc1cncc2c1[nH]cc2 271570a_203496583355_100000217057 [0,0,0,0,1,0|3,0,0]=4 967 B11R2.106 Oc1cncc2c1cc[nH]2 271570a_203496583355_100009840476 [0,0,0,0,1,0|3,0,0]=4 968 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [0,0,0,0,1,0|3,0,0]=4 969 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [0,0,0,0,1,0|3,0,0]=4 970 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,0,0,0,1,0|3,0,0]=4 971 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [0,0,0,0,1,0|3,0,0]=4 972 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [0,0,0,0,1,0|3,0,0]=4 973 B11R2.106 Oc1nccn2c1ccc2 271570a_203496583355_100000094558 [0,0,0,0,1,0|3,0,0]=4 974 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,0,1,0,0,0|2,0,0]=4 975 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,0,1,0,0,0|1,0,1]=4 976 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,0,1,0,0,0|0,0,1]=3 977 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,0,1,0,0,0|1,0,1]=4 978 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,0,1,0,0,0|1,0,1]=4 979 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,0,1,0,0,0|1,0,1]=4 980 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,0,1,0,0,0|1,0,1]=4 981 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [1,0,1,0,0,0|2,0,0]=4 982 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,0,1,0,0,0|1,0,0]=3 983 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [1,0,1,0,0,0|2,0,0]=4 984 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [1,0,1,0,0,0|2,0,0]=4 985 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,0,1,0,0,0|2,0,0]=4 986 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [1,0,1,0,0,0|2,0,0]=4 987 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,0,1,0,0,0|1,0,0]=3 988 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [1,0,1,0,0,0|2,0,0]=4 989 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [1,0,1,0,0,0|2,0,0]=4 990 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,0,1,0,0,0|2,0,0]=4 991 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,0,1,0,0,0|2,0,0]=4 992 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [1,0,1,0,0,0|2,0,0]=4 993 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,0,1,0,0,0|1,0,0]=3 994 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [1,0,1,0,0,0|2,0,0]=4 995 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [1,0,1,0,0,0|2,0,0]=4 996 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,0,1,0,0,0|2,0,0]=4 997 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,0,1,0,0,0|2,0,0]=4 998 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,0,1,0,0,0|2,0,0]=4 999 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,0,1,0,0,0|1,0,0]=3 1000 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,0,1,0,0,0|2,0,0]=4 1001 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,0,1,0,0,0|2,0,0]=4 1002 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,0,1,0,0,0|2,0,0]=4 1003 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,0,1,0,0,0|2,0,0]=4 1004 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [1,0,1,0,0,0|2,0,0]=4 1005 B10R1.2 C=Cc1ccnc(c1C)C 271570a_100011290941_100009846815 [1,0,1,0,0,0|1,0,1]=4 1006 B10R1.2 C=Cc1ccnc(c1Cl)C 271570a_100011290941_100000698670 [1,0,1,0,0,0|2,0,0]=4 1007 B10R1.2 C=Cc1ccnc(c1F)C 271570a_100011290941_100009849794 [1,0,1,0,0,0|2,0,0]=4 1008 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [1,0,1,0,0,0|2,0,0]=4 1009 B10R1.2 C=Cc1cncc(c1C)C 271570a_100011290941_100009864703 [1,0,1,0,0,0|1,0,1]=4 1010 B10R1.2 C=Cc1cncc(c1N)C 271570a_100011290941_100009818025 [1,0,1,0,0,0|2,0,0]=4 1011 B10R1.2 C=Cc1nccc(c1C)C 271570a_100011290941_100009847204 [1,0,1,0,0,0|1,0,1]=4 1012 B10R1.2 C=Cc1nccc(c1F)C 271570a_100011290941_100009817629 [1,0,1,0,0,0|2,0,0]=4 1013 B10R1.2 C=Cc1nccc(c1N)C 271570a_100011290941_100000763560 [1,0,1,0,0,0|2,0,0]=4 1014 B10R1.2 C=Cc1nccc(c1O)C 271570a_100011290941_100000696282 [1,0,1,0,0,0|2,0,0]=4 1015 B10R1.4 C=C=Cc1cccc[n+]1C 271570a_100015277604_100000212160 [1,0,1,0,0,0|1,0,1]=4 1016 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,0,1,0,0,0|1,0,1]=4 1017 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,0,1,0,0,0|0,0,1]=3 1018 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,0,1,0,0,0|1,0,1]=4 1019 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,0,1,0,0,0|1,0,1]=4 1020 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,0,1,0,0,0|1,0,1]=4 1021 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,0,1,0,0,0|1,0,1]=4 1022 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [1,0,1,0,0,0|1,0,1]=4 1023 B10R1.4 C=C=Cc1ccncc1C 271570a_100015277604_100015191297 [1,0,1,0,0,0|1,0,1]=4 1024 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [1,0,1,0,0,0|1,0,1]=4 1025 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [1,0,1,0,0,0|1,0,1]=4 1026 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,1,0,0,0|1,0,1]=4 1027 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,0,1,0,0,0|1,0,1]=4 1028 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,1,0,0,0|1,0,1]=4 1029 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,1,0,0,0|0,0,1]=3 1030 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,1,0,0,0|1,0,1]=4 1031 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,1,0,0,0|1,0,1]=4 1032 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,1,0,0,0|1,0,1]=4 1033 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,1,0,0,0|1,0,1]=4 1034 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,0,1,0,0,0|1,0,1]=4 1035 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,0,1,0,0,0|1,0,1]=4 1036 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,0,1,0,0,0|1,0,1]=4 1037 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,0,1,0,0,0|1,0,1]=4 1038 B10R1.10 C=C=Cc1cc(ccn1)C 271570a_100015277604_100000750283 [1,0,1,0,0,0|1,0,1]=4 1039 B10R1.10 C=C=Cc1ccc[n+](c1)C 271570a_100015277604_100009996589 [1,0,1,0,0,0|1,0,1]=4 1040 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,0,1,0,0,0|1,0,1]=4 1041 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,0,1,0,0,0|0,0,1]=3 1042 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,0,1,0,0,0|1,0,1]=4 1043 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,0,1,0,0,0|1,0,1]=4 1044 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,0,1,0,0,0|1,0,1]=4 1045 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,0,1,0,0,0|1,0,1]=4 1046 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,0,1,0,0,0|1,0,1]=4 1047 B10R1.10 C=C=Cc1cccc(n1)C 271570a_100015277604_100000742759 [1,0,1,0,0,0|1,0,1]=4 1048 B10R1.10 C=C=Cc1ccnc(c1)C 271570a_100015277604_100000758586 [1,0,1,0,0,0|1,0,1]=4 1049 B10R1.10 C=C=Cc1cncc(c1)C 271570a_100015277604_100000760492 [1,0,1,0,0,0|1,0,1]=4 1050 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,0,1,0,0,0|1,0,1]=4 1051 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,0,1,0,0,0|1,0,1]=4 1052 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,0,1,0,0,0|1,0,1]=4 1053 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,0,1,0,0,0|1,0,1]=4 1054 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,0,1,0,0,0|0,0,1]=3 1055 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,0,1,0,0,0|1,0,1]=4 1056 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,0,1,0,0,0|1,0,1]=4 1057 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,0,1,0,0,0|1,0,1]=4 1058 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,0,1,0,0,0|1,0,1]=4 1059 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,0,1,0,0,0|1,0,1]=4 1060 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,0,1,0,0,0|1,0,1]=4 1061 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,0,1,0,0,0|1,0,1]=4 1062 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,0,1,0,0,0|1,0,1]=4 1063 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,1,0,0,0|1,0,1]=4 1064 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,1,0,0,0|1,0,1]=4 1065 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,1,0,0,0|1,0,1]=4 1066 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,1,0,0,0|1,0,1]=4 1067 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,1,0,0,0|1,0,1]=4 1068 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,1,0,0,0|2,0,0]=4 1069 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [1,0,1,0,0,0|1,0,1]=4 1070 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [1,0,1,0,0,0|1,0,0]=3 1071 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,0,1,0,0,0|0,0,1]=3 1072 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [1,0,1,0,0,0|1,0,1]=4 1073 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [1,0,1,0,0,0|1,0,1]=4 1074 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,0,1,0,0,0|1,0,0]=3 1075 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,0,1,0,0,0|1,0,0]=3 1076 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [1,0,1,0,0,0|2,0,0]=4 1077 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,0,1,0,0,0|1,0,0]=3 1078 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,0,1,0,0,0|1,0,0]=3 1079 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [1,0,1,0,0,0|1,0,0]=3 1080 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [1,0,1,0,0,0|1,0,0]=3 1081 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [1,0,1,0,0,0|1,0,0]=3 1082 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [1,0,1,0,0,0|1,0,0]=3 1083 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [1,0,1,0,0,0|1,0,0]=3 1084 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [1,0,1,0,0,0|2,0,0]=4 1085 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,0,1,0,0,0|1,0,1]=4 1086 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [1,0,1,0,0,0|2,0,0]=4 1087 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,0,1,0,0,0|2,0,0]=4 1088 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [1,0,1,0,0,0|2,0,0]=4 1089 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [1,0,1,0,0,0|2,0,0]=4 1090 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [1,0,1,0,0,0|1,0,1]=4 1091 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [1,0,1,0,0,0|2,0,0]=4 1092 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [1,0,1,0,0,0|2,0,0]=4 1093 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [1,0,1,0,0,0|1,0,1]=4 1094 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [1,0,1,0,0,0|2,0,0]=4 1095 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [1,0,1,0,0,0|2,0,0]=4 1096 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [1,0,1,0,0,0|2,0,0]=4 1097 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [1,0,1,0,0,0|2,0,0]=4 1098 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,0,1,0,0,0|2,0,0]=4 1099 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,1,0,0,0|2,0,0]=4 1100 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,1,0,0,0|2,0,0]=4 1101 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,1,0,0,0|2,0,0]=4 1102 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,1,0,0,0|2,0,0]=4 1103 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,0,1,0,0,0|2,0,0]=4 1104 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,0,1,0,0,0|2,0,0]=4 1105 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,0,1,0,0,0|2,0,0]=4 1106 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,0,1,0,0,0|1,0,1]=4 1107 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,0,1,0,0,0|2,0,0]=4 1108 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,1,0,0,0|1,0,0]=3 1109 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,1,0,0,0|0,0,1]=3 1110 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,1,0,0,0|1,0,0]=3 1111 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,1,0,0,0|1,0,0]=3 1112 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,1,0,0,0|1,0,0]=3 1113 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,1,0,0,0|1,0,0]=3 1114 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,0,1,0,0,0|2,0,0]=4 1115 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,0,1,0,0,0|1,0,1]=4 1116 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,0,1,0,0,0|2,0,0]=4 1117 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,0,1,0,0,0|2,0,0]=4 1118 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,0,1,0,0,0|2,0,0]=4 1119 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,0,1,0,0,0|2,0,0]=4 1120 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,0,1,0,0,0|1,0,1]=4 1121 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,0,1,0,0,0|2,0,0]=4 1122 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,0,1,0,0,0|2,0,0]=4 1123 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,0,1,0,0,0|2,0,0]=4 1124 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,0,1,0,0,0|2,0,0]=4 1125 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,0,1,0,0,0|2,0,0]=4 1126 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,0,1,0,0,0|1,0,1]=4 1127 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,0,1,0,0,0|2,0,0]=4 1128 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,0,1,0,0,0|2,0,0]=4 1129 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,0,1,0,0,0|2,0,0]=4 1130 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,0,1,0,0,0|2,0,0]=4 1131 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,0,1,0,0,0|1,0,1]=4 1132 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,0,1,0,0,0|2,0,0]=4 1133 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,0,1,0,0,0|2,0,0]=4 1134 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,0,1,0,0,0|2,0,0]=4 1135 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,1,0,0,0|2,0,0]=4 1136 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,1,0,0,0|2,0,0]=4 1137 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,1,0,0,0|1,0,1]=4 1138 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,1,0,0,0|2,0,0]=4 1139 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,1,0,0,0|2,0,0]=4 1140 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,1,0,0,0|2,0,0]=4 1141 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,1,0,0,0|2,0,0]=4 1142 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,1,0,0,0|2,0,0]=4 1143 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,1,0,0,0|2,0,0]=4 1144 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,1,0,0,0|1,0,1]=4 1145 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,1,0,0,0|2,0,0]=4 1146 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,1,0,0,0|2,0,0]=4 1147 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,1,0,0,0|2,0,0]=4 1148 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,1,0,0,0|2,0,0]=4 1149 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,1,0,0,0|2,0,0]=4 1150 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,1,0,0,0|2,0,0]=4 1151 B10R1.245 C=Cc1c(ccc[n+]1[O-])C 271570a_100011290941_100116209805 [1,0,1,0,0,0|2,0,0]=4 1152 B10R1.245 C=Cc1c(cccc1Br)Br 271570a_100011290941_100009994525 [1,0,1,0,0,0|2,0,0]=4 1153 B10R1.245 C=Cc1c(cccc1Br)Cl 271570a_100011290941_100010214488 [1,0,1,0,0,0|2,0,0]=4 1154 B10R1.245 C=Cc1c(cccc1Br)F 271570a_100011290941_100011219512 [1,0,1,0,0,0|2,0,0]=4 1155 B10R1.245 C=Cc1c(cccc1Br)N 271570a_100011290941_100020590159 [1,0,1,0,0,0|2,0,0]=4 1156 B10R1.245 C=Cc1c(cccc1Br)O 271570a_100011290941_100010187912 [1,0,1,0,0,0|2,0,0]=4 1157 B10R1.245 C=Cc1c(cccc1C)C 271570a_100011290941_100000033847 [1,0,1,0,0,0|0,0,1]=3 1158 B10R1.245 C=Cc1c(cccc1Cl)C 271570a_100011290941_100000043165 [1,0,1,0,0,0|1,0,0]=3 1159 B10R1.245 C=Cc1c(cccc1Cl)Cl 271570a_100011290941_100000034237 [1,0,1,0,0,0|2,0,0]=4 1160 B10R1.245 C=Cc1c(cccc1Cl)F 271570a_100011290941_100000050007 [1,0,1,0,0,0|2,0,0]=4 1161 B10R1.245 C=Cc1c(cccc1Cl)N 271570a_100011290941_100000049713 [1,0,1,0,0,0|2,0,0]=4 1162 B10R1.245 C=Cc1c(cccc1Cl)O 271570a_100011290941_100000050174 [1,0,1,0,0,0|2,0,0]=4 1163 B10R1.245 C=Cc1c(cccc1F)C 271570a_100011290941_100012349962 [1,0,1,0,0,0|1,0,0]=3 1164 B10R1.245 C=Cc1c(cccc1F)F 271570a_100011290941_100000693133 [1,0,1,0,0,0|2,0,0]=4 1165 B10R1.245 C=Cc1c(cccc1F)N 271570a_100011290941_100011934729 [1,0,1,0,0,0|2,0,0]=4 1166 B10R1.245 C=Cc1c(cccc1F)O 271570a_100011290941_100009820682 [1,0,1,0,0,0|2,0,0]=4 1167 B10R1.245 C=Cc1c(cccc1N)C 271570a_100011290941_100000684715 [1,0,1,0,0,0|1,0,0]=3 1168 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [1,0,1,0,0,0|1,0,0]=3 1169 B10R1.245 C=Cc1c(cccc1O)N 271570a_100011290941_100012183704 [1,0,1,0,0,0|2,0,0]=4 1170 B10R1.245 C=Cc1c(cccc1O)O 271570a_100011290941_100010205330 [1,0,1,0,0,0|2,0,0]=4 1171 B10R1.245 C=Cc1c(ccnc1C)C 271570a_100011290941_100012000501 [1,0,1,0,0,0|1,0,1]=4 1172 B10R1.245 C=Cc1c(ccnc1C)N 271570a_100011290941_100010243816 [1,0,1,0,0,0|2,0,0]=4 1173 B10R1.245 C=Cc1c(ccnc1F)C 271570a_100011290941_100009818256 [1,0,1,0,0,0|2,0,0]=4 1174 B10R1.245 C=Cc1c(ccnc1N)C 271570a_100011290941_100011998619 [1,0,1,0,0,0|2,0,0]=4 1175 B10R1.245 C=Cc1c(ccnc1O)C 271570a_100011290941_100012000493 [1,0,1,0,0,0|2,0,0]=4 1176 B10R1.245 C=Cc1c(cncc1C)C 271570a_100011290941_100009817138 [1,0,1,0,0,0|1,0,1]=4 1177 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,0,1,0,0,0|2,0,0]=4 1178 B12R1.25 C=CCNc1cccc(c1Br)C 34a_100000684715_100015514636 [0,1,1,0,0,0|1,0,1]=4 1179 B12R1.25 C=CCNc1cccc(c1C)C 2230a_100000210026_100000210623 [0,1,1,0,0,0|0,0,2]=4 1180 B12R1.25 C=CCNc1cccc(c1C)C 34a_100000210026_100015514636 [0,1,1,0,0,0|0,0,2]=4 1181 B12R1.25 C=CCNc1cccc(c1C)C 7a_100000210026_100015514636 [0,1,1,0,0,0|0,0,2]=4 1182 B12R1.25 C=CCNc1cccc(c1Cl)C 34a_100000765562_100015514636 [0,1,1,0,0,0|1,0,1]=4 1183 B12R1.25 C=CCNc1cccc(c1Cl)C 7a_100000765562_100015514636 [0,1,1,0,0,0|1,0,1]=4 1184 B12R1.25 C=CCNc1cccc(c1F)C 2230a_100000697159_100000210623 [0,1,1,0,0,0|1,0,1]=4 1185 B12R1.25 C=CCNc1cccc(c1F)C 34a_100000697159_100015514636 [0,1,1,0,0,0|1,0,1]=4 1186 B12R1.25 C=CCNc1cccc(c1F)C 7a_100000697159_100015514636 [0,1,1,0,0,0|1,0,1]=4 1187 B12R1.25 C=CCNc1cccc(c1I)C 34a_100000761888_100015514636 [0,1,1,0,0,0|1,0,1]=4 1188 B12R1.25 C=CCNc1cccc(c1O)C 34a_100000756359_100015514636 [0,1,1,0,0,0|1,0,1]=4 1189 B12R1.25 C=CCOc1cccc(c1Br)C 34a_100000686692_100015514636 [0,1,1,0,0,0|1,0,1]=4 1190 B12R1.25 C=CCOc1cccc(c1Br)C 7a_100000686692_100015514636 [0,1,1,0,0,0|1,0,1]=4 1191 B12R1.25 C=CCOc1cccc(c1C)C 34a_100000185855_100015514636 [0,1,1,0,0,0|0,0,2]=4 1192 B12R1.25 C=CCOc1cccc(c1C)C 7a_100000185855_100015514636 [0,1,1,0,0,0|0,0,2]=4 1193 B12R1.25 C=CCOc1cccc(c1Cl)C 34a_100000695629_100015514636 [0,1,1,0,0,0|1,0,1]=4 1194 B12R1.25 C=CCOc1cccc(c1Cl)C 7a_100000695629_100015514636 [0,1,1,0,0,0|1,0,1]=4 1195 B12R1.25 C=CCOc1cccc(c1F)C 34a_100000751311_100015514636 [0,1,1,0,0,0|1,0,1]=4 1196 B12R1.25 C=CCOc1cccc(c1F)C 7a_100000751311_100015514636 [0,1,1,0,0,0|1,0,1]=4 1197 B12R1.25 C=CCOc1cccc(c1I)C 34a_100010083724_100015514636 [0,1,1,0,0,0|1,0,1]=4 1198 B12R1.25 C=CCOc1cccc(c1I)C 7a_100010083724_100015514636 [0,1,1,0,0,0|1,0,1]=4 1199 B12R1.25 C=CCOc1cccc(c1N)C 34a_100000743429_100015514636 [0,1,1,0,0,0|1,0,1]=4 1200 B12R1.25 C=CCOc1cccc(c1N)C 7a_100000743429_100015514636 [0,1,1,0,0,0|1,0,1]=4 1201 B12R1.25 C=CCSc1cccc(c1Br)C 62a_100000210623_100012362457 [0,1,1,0,0,0|1,0,1]=4 1202 B12R1.25 C=CCSc1cccc(c1Br)C 62a_100012362457_100000210623 [0,1,1,0,0,0|1,0,1]=4 1203 B12R1.25 C=CCSc1cccc(c1C)C 62a_100000210623_100011214922 [0,1,1,0,0,0|0,0,2]=4 1204 B12R1.25 C=CCSc1cccc(c1C)C 62a_100011214922_100000210623 [0,1,1,0,0,0|0,0,2]=4 1205 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_100000210623_200012352035 [0,1,1,0,0,0|1,0,1]=4 1206 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_200012352035_100000210623 [0,1,1,0,0,0|1,0,1]=4 1207 B12R1.25 C=CCSc1cccc(c1F)C 62a_100000210623_100000717567 [0,1,1,0,0,0|1,0,1]=4 1208 B12R1.25 C=CCSc1cccc(c1F)C 62a_100000717567_100000210623 [0,1,1,0,0,0|1,0,1]=4 1209 B12R1.25 C=CCSc1cccc(c1N)C 62a_100000210623_100011834072 [0,1,1,0,0,0|1,0,1]=4 1210 B12R1.25 C=CCSc1cccc(c1N)C 62a_100011834072_100000210623 [0,1,1,0,0,0|1,0,1]=4 1211 B12R1.25 C=CCSc1cccc(c1O)C 62a_100000210623_100009817157 [0,1,1,0,0,0|1,0,1]=4 1212 B12R1.25 C=CCSc1cccc(c1O)C 62a_100009817157_100000210623 [0,1,1,0,0,0|1,0,1]=4 1213 B12R1.40 C=C=Cc1cc(cc(c1C)C)N 271570a_100015277604_100010368239 [0,1,1,0,0,0|0,0,2]=4 1214 B12R1.40 C=C=Cc1cc(cc(c1C)C)O 271570a_100015277604_100010068915 [0,1,1,0,0,0|0,0,2]=4 1215 B12R1.40 C=C=Cc1cc(cc(c1F)C)C 271570a_100015277604_200010204574 [0,1,1,0,0,0|1,0,1]=4 1216 B12R1.40 C=C=Cc1cc(cc(c1F)C)F 271570a_100015277604_100010291795 [0,1,1,0,0,0|1,0,1]=4 1217 B12R1.40 C=C=Cc1cc(cc(c1N)C)Br 271570a_100015277604_200000690823 [0,1,1,0,0,0|1,0,1]=4 1218 B12R1.40 C=C=Cc1cc(cc(c1N)C)C 271570a_100015277604_100000688863 [0,1,1,0,0,0|1,0,1]=4 1219 B12R1.40 C=C=Cc1cc(cc(c1N)C)Cl 271570a_100015277604_100012344046 [0,1,1,0,0,0|1,0,1]=4 1220 B12R1.40 C=C=Cc1cc(cc(c1N)C)F 271570a_100015277604_100011216670 [0,1,1,0,0,0|1,0,1]=4 1221 B12R1.40 C=C=Cc1cc(cc(c1O)C)C 271570a_100015277604_100011934984 [0,1,1,0,0,0|1,0,1]=4 1222 B12R1.40 C=C=Cc1cc(cc(c1O)C)Cl 271570a_100015277604_100012343667 [0,1,1,0,0,0|1,0,1]=4 1223 B12R1.40 C=C=Cc1cc(cc(c1O)C)N 271570a_100015277604_100010064301 [0,1,1,0,0,0|1,0,1]=4 1224 B12R1.40 CC=Cc1cc(cc(c1C)C)N 271570a_100016259895_100010368239 [0,1,1,0,0,0|0,0,2]=4 1225 B12R1.40 CC=Cc1cc(cc(c1C)C)O 271570a_100016259895_100010068915 [0,1,1,0,0,0|0,0,2]=4 1226 B12R1.40 CC=Cc1cc(cc(c1F)C)C 271570a_100016259895_200010204574 [0,1,1,0,0,0|1,0,1]=4 1227 B12R1.40 CC=Cc1cc(cc(c1F)C)F 271570a_100016259895_100010291795 [0,1,1,0,0,0|1,0,1]=4 1228 B12R1.40 CC=Cc1cc(cc(c1N)C)Br 271570a_100016259895_200000690823 [0,1,1,0,0,0|1,0,1]=4 1229 B12R1.40 CC=Cc1cc(cc(c1N)C)C 271570a_100016259895_100000688863 [0,1,1,0,0,0|1,0,1]=4 1230 B12R1.40 CC=Cc1cc(cc(c1N)C)Cl 271570a_100016259895_100012344046 [0,1,1,0,0,0|1,0,1]=4 1231 B12R1.40 CC=Cc1cc(cc(c1N)C)F 271570a_100016259895_100011216670 [0,1,1,0,0,0|1,0,1]=4 1232 B12R1.40 CC=Cc1cc(cc(c1O)C)C 271570a_100016259895_100011934984 [0,1,1,0,0,0|1,0,1]=4 1233 B12R1.40 CC=Cc1cc(cc(c1O)C)Cl 271570a_100016259895_100012343667 [0,1,1,0,0,0|1,0,1]=4 1234 B12R1.40 CC=Cc1cc(cc(c1O)C)N 271570a_100016259895_100010064301 [0,1,1,0,0,0|1,0,1]=4 1235 B12R1.224 CC(=Cc1cccc(c1C)C)C 271570a_100102525489_100011214922 [0,1,1,0,0,0|0,0,2]=4 1236 B12R1.224 CC(=Cc1cccc(c1Cl)C)C 271570a_100102525489_200012352035 [0,1,1,0,0,0|1,0,1]=4 1237 B12R1.224 CC(=Cc1cccc(c1F)C)C 271570a_100102525489_100000717567 [0,1,1,0,0,0|1,0,1]=4 1238 B12R1.224 CC(=Cc1cccc(c1N)C)C 271570a_100102525489_100011834072 [0,1,1,0,0,0|1,0,1]=4 1239 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,1,1,0,0,0|1,0,1]=4 1240 B12R1.280 C=C=Cc1cccc(c1Br)CO 271570a_100015277604_100010240205 [0,1,1,0,0,0|1,0,1]=4 1241 B12R1.280 C=C=Cc1cccc(c1C)CN 271570a_100015277604_100000724210 [0,1,1,0,0,0|0,0,2]=4 1242 B12R1.280 C=C=Cc1cccc(c1C)CO 271570a_100015277604_100000694458 [0,1,1,0,0,0|0,0,2]=4 1243 B12R1.280 C=C=Cc1cccc(c1C)OC 271570a_100015277604_100010002647 [0,1,1,0,0,0|0,0,2]=4 1244 B12R1.280 C=C=Cc1cccc(c1Cl)OC 271570a_100015277604_100010147677 [0,1,1,0,0,0|1,0,1]=4 1245 B12R1.280 C=C=Cc1cccc(c1F)CN 271570a_100015277604_100015189953 [0,1,1,0,0,0|1,0,1]=4 1246 B12R1.280 C=C=Cc1cccc(c1F)CO 271570a_100015277604_100011935076 [0,1,1,0,0,0|1,0,1]=4 1247 B12R1.280 C=C=Cc1cccc(c1F)OC 271570a_100015277604_100010185846 [0,1,1,0,0,0|1,0,1]=4 1248 B12R1.280 C=C=Cc1cccc(c1N)CO 271570a_100015277604_100012349457 [0,1,1,0,0,0|1,0,1]=4 1249 B12R1.280 C=C=Cc1cccc(c1N)NC 271570a_100015277604_100000695761 [0,1,1,0,0,0|1,0,1]=4 1250 B12R1.280 C=C=Cc1cccc(c1N)OC 271570a_100015277604_100000708083 [0,1,1,0,0,0|1,0,1]=4 1251 B12R1.280 C=C=Cc1cccc(c1O)CC 271570a_100015277604_200010001580 [0,1,1,0,0,0|1,0,1]=4 1252 B12R1.280 C=C=Cc1cccc(c1O)OC 271570a_100015277604_100000686866 [0,1,1,0,0,0|1,0,1]=4 1253 B12R1.280 CC=Cc1cccc(c1Br)CO 271570a_100016259895_100010240205 [0,1,1,0,0,0|1,0,1]=4 1254 B12R1.280 CC=Cc1cccc(c1C)CN 271570a_100016259895_100000724210 [0,1,1,0,0,0|0,0,2]=4 1255 B12R1.280 CC=Cc1cccc(c1C)CO 271570a_100016259895_100000694458 [0,1,1,0,0,0|0,0,2]=4 1256 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [0,1,1,0,0,0|0,0,2]=4 1257 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [0,1,1,0,0,0|1,0,1]=4 1258 B12R1.280 CC=Cc1cccc(c1F)CN 271570a_100016259895_100015189953 [0,1,1,0,0,0|1,0,1]=4 1259 B12R1.280 CC=Cc1cccc(c1F)CO 271570a_100016259895_100011935076 [0,1,1,0,0,0|1,0,1]=4 1260 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [0,1,1,0,0,0|1,0,1]=4 1261 B12R1.280 CC=Cc1cccc(c1N)CO 271570a_100016259895_100012349457 [0,1,1,0,0,0|1,0,1]=4 1262 B12R1.280 CC=Cc1cccc(c1N)NC 271570a_100016259895_100000695761 [0,1,1,0,0,0|1,0,1]=4 1263 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [0,1,1,0,0,0|1,0,1]=4 1264 B12R1.280 CC=Cc1cccc(c1O)CC 271570a_100016259895_200010001580 [0,1,1,0,0,0|1,0,1]=4 1265 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [0,1,1,0,0,0|1,0,1]=4 1266 B12R1.542 C=C=Cc1cccc(c1C#N)C 271570a_100015277604_100009819585 [0,1,1,0,0,0|0,0,2]=4 1267 B12R1.542 C=C=Cc1cccc(c1C=O)C 271570a_100015277604_100000041122 [0,1,1,0,0,0|0,0,1]=3 1268 B12R1.542 C=C=Cc1cccc(c1C=O)Cl 271570a_100015277604_100010147682 [0,1,1,0,0,0|1,0,1]=4 1269 B12R1.542 C=C=Cc1cccc(c1C=O)F 271570a_100015277604_100000210083 [0,1,1,0,0,0|1,0,1]=4 1270 B12R1.542 C=C=Cc1cccc(c1C=O)N 271570a_100015277604_100010232536 [0,1,1,0,0,0|1,0,1]=4 1271 B12R1.542 C=C=Cc1cccc(c1C=O)O 271570a_100015277604_100009814793 [0,1,1,0,0,0|1,0,1]=4 1272 B12R1.542 C=C=Cc1cccc(c1OC)C 271570a_100015277604_100010141385 [0,1,1,0,0,0|0,0,2]=4 1273 B12R1.542 C=CCc1cccc(c1OC)C 34a_200011218211_200000210301 [0,1,1,0,0,0|0,0,2]=4 1274 B12R1.542 C=CCc1cccc(c1OC)C 7a_200011218211_200000210301 [0,1,1,0,0,0|0,0,2]=4 1275 B12R1.542 C=CCc1cccc(c1O[13CH3])C 34a_200011218211_200025704644 [0,1,1,0,0,0|0,0,2]=4 1276 B12R1.542 C=CCc1cccc(c1O[13CH3])C 7a_200011218211_200025704644 [0,1,1,0,0,0|0,0,2]=4 1277 B12R1.542 CC=Cc1cccc(c1C#N)C 271570a_100016259895_100009819585 [0,1,1,0,0,0|0,0,2]=4 1278 B12R1.542 CC=Cc1cccc(c1C=O)C 271570a_100016259895_100000041122 [0,1,1,0,0,0|0,0,1]=3 1279 B12R1.542 CC=Cc1cccc(c1C=O)Cl 271570a_100016259895_100010147682 [0,1,1,0,0,0|1,0,1]=4 1280 B12R1.542 CC=Cc1cccc(c1C=O)F 271570a_100016259895_100000210083 [0,1,1,0,0,0|1,0,1]=4 1281 B12R1.542 CC=Cc1cccc(c1C=O)N 271570a_100016259895_100010232536 [0,1,1,0,0,0|1,0,1]=4 1282 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [0,1,1,0,0,0|1,0,1]=4 1283 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [0,1,1,0,0,0|0,0,2]=4 1284 B12R1.544 C=C=Cc1ccc(c(c1C)C)Br 271570a_100015277604_200010185626 [0,1,1,0,0,0|0,0,2]=4 1285 B12R1.544 C=C=Cc1ccc(c(c1C)C)F 271570a_100015277604_100009816033 [0,1,1,0,0,0|0,0,2]=4 1286 B12R1.544 C=C=Cc1ccc(c(c1C)C)N 271570a_100015277604_100009816967 [0,1,1,0,0,0|0,0,2]=4 1287 B12R1.544 C=C=Cc1ccc(c(c1C)C)O 271570a_100015277604_100012353674 [0,1,1,0,0,0|0,0,2]=4 1288 B12R1.544 C=C=Cc1ccc(c(c1Cl)C)Br 271570a_100015277604_100055076181 [0,1,1,0,0,0|1,0,1]=4 1289 B12R1.544 C=C=Cc1ccc(c(c1Cl)C)Cl 271570a_100015277604_100010730154 [0,1,1,0,0,0|1,0,1]=4 1290 B12R1.544 C=C=Cc1ccc(c(c1F)C)C 271570a_100015277604_200015555822 [0,1,1,0,0,0|1,0,1]=4 1291 B12R1.544 C=C=Cc1ccc(c(c1F)C)F 271570a_100015277604_100009815987 [0,1,1,0,0,0|1,0,1]=4 1292 B12R1.544 C=C=Cc1ccc(c(c1F)C)N 271570a_100015277604_100010208198 [0,1,1,0,0,0|1,0,1]=4 1293 B12R1.544 C=C=Cc1ccc(c(c1F)C)O 271570a_100015277604_100010390934 [0,1,1,0,0,0|1,0,1]=4 1294 B12R1.544 C=C=Cc1ccc(c(c1N)C)F 271570a_100015277604_100011009917 [0,1,1,0,0,0|1,0,1]=4 1295 B12R1.544 C=C=Cc1ccc(c(c1O)C)F 271570a_100015277604_200010391124 [0,1,1,0,0,0|1,0,1]=4 1296 B12R1.544 CC=Cc1ccc(c(c1C)C)Br 271570a_100016259895_200010185626 [0,1,1,0,0,0|0,0,2]=4 1297 B12R1.544 CC=Cc1ccc(c(c1C)C)F 271570a_100016259895_100009816033 [0,1,1,0,0,0|0,0,2]=4 1298 B12R1.544 CC=Cc1ccc(c(c1C)C)N 271570a_100016259895_100009816967 [0,1,1,0,0,0|0,0,2]=4 1299 B12R1.544 CC=Cc1ccc(c(c1C)C)O 271570a_100016259895_100012353674 [0,1,1,0,0,0|0,0,2]=4 1300 B12R1.544 CC=Cc1ccc(c(c1Cl)C)Br 271570a_100016259895_100055076181 [0,1,1,0,0,0|1,0,1]=4 1301 B12R1.544 CC=Cc1ccc(c(c1Cl)C)Cl 271570a_100016259895_100010730154 [0,1,1,0,0,0|1,0,1]=4 1302 B12R1.544 CC=Cc1ccc(c(c1F)C)C 271570a_100016259895_200015555822 [0,1,1,0,0,0|1,0,1]=4 1303 B12R1.544 CC=Cc1ccc(c(c1F)C)F 271570a_100016259895_100009815987 [0,1,1,0,0,0|1,0,1]=4 1304 B12R1.544 CC=Cc1ccc(c(c1F)C)N 271570a_100016259895_100010208198 [0,1,1,0,0,0|1,0,1]=4 1305 B12R1.544 CC=Cc1ccc(c(c1F)C)O 271570a_100016259895_100010390934 [0,1,1,0,0,0|1,0,1]=4 1306 B12R1.544 CC=Cc1ccc(c(c1N)C)F 271570a_100016259895_100011009917 [0,1,1,0,0,0|1,0,1]=4 1307 B12R1.544 CC=Cc1ccc(c(c1O)C)F 271570a_100016259895_200010391124 [0,1,1,0,0,0|1,0,1]=4 1308 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,1,0,0,0|0,0,2]=4 1309 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,1,0,0,0|0,0,2]=4 1310 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,1,0,0,0|0,0,2]=4 1311 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,1,0,0,0|0,0,2]=4 1312 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [0,1,1,0,0,0|1,0,1]=4 1313 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [0,1,1,0,0,0|1,0,1]=4 1314 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [0,1,1,0,0,0|1,0,1]=4 1315 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [0,1,1,0,0,0|1,0,1]=4 1316 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [0,1,1,0,0,0|1,0,1]=4 1317 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [0,1,1,0,0,0|1,0,1]=4 1318 B12R1.3 C=CCN(CF)c1ccccc1 269982a_100000211662_100015361967 [0,1,1,0,0,0|1,0,1]=4 1319 B12R1.3 C=CCN(CF)c1ccccc1 34a_100000211662_100015361967 [0,1,1,0,0,0|1,0,1]=4 1320 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,1,1,0,0,0|1,0,1]=4 1321 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,1,1,0,0,0|1,0,1]=4 1322 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,1,1,0,0,0|1,0,1]=4 1323 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,1,1,0,0,0|1,0,1]=4 1324 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,1,1,0,0,0|1,0,1]=4 1325 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,1,1,0,0,0|1,0,1]=4 1326 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,1,1,0,0,0|1,0,1]=4 1327 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,1,1,0,0,0|1,0,1]=4 1328 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,1,1,0,0,0|1,0,1]=4 1329 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,1,1,0,0,0|1,0,1]=4 1330 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,1,1,0,0,0|1,0,1]=4 1331 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,1,1,0,0,0|1,0,1]=4 1332 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,1,1,0,0,0|1,0,1]=4 1333 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,1,1,0,0,0|1,0,1]=4 1334 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,1,1,0,0,0|1,0,1]=4 1335 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,1,1,0,0,0|1,0,1]=4 1336 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,1,1,0,0,0|1,0,1]=4 1337 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,1,1,0,0,0|1,0,1]=4 1338 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,1,1,0,0,0|1,0,1]=4 1339 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,1,1,0,0,0|1,0,1]=4 1340 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,1,1,0,0,0|1,0,1]=4 1341 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,1,1,0,0,0|1,0,1]=4 1342 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,1,1,0,0,0|1,0,1]=4 1343 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,1,1,0,0,0|1,0,1]=4 1344 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,1,1,0,0,0|1,0,1]=4 1345 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,1,1,0,0,0|1,0,1]=4 1346 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,1,1,0,0,0|1,0,1]=4 1347 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,1,1,0,0,0|1,0,1]=4 1348 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,1,1,0,0,0|1,0,1]=4 1349 B12R1.17 C=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210623 [0,1,1,0,0,0|1,0,1]=4 1350 B12R1.17 C=CCN(C)c1cccc(c1)Br 269982a_100000219648_100000210623 [0,1,1,0,0,0|1,0,1]=4 1351 B12R1.17 C=CCN(C)c1cccc(c1)Br 34a_100000219648_100015514636 [0,1,1,0,0,0|1,0,1]=4 1352 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,1,1,0,0,0|1,0,1]=4 1353 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,1,1,0,0,0|1,0,1]=4 1354 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,1,1,0,0,0|1,0,1]=4 1355 B12R1.17 C=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210623 [0,1,1,0,0,0|1,0,1]=4 1356 B12R1.17 C=CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210623 [0,1,1,0,0,0|1,0,1]=4 1357 B12R1.17 C=CCN(C)c1cccc(c1)Cl 34a_100000220044_100015514636 [0,1,1,0,0,0|1,0,1]=4 1358 B12R1.17 C=CCN(C)c1cccc(c1)F 2230a_100020633736_100000210623 [0,1,1,0,0,0|1,0,1]=4 1359 B12R1.17 C=CCN(C)c1cccc(c1)F 269982a_100020633736_100000210623 [0,1,1,0,0,0|1,0,1]=4 1360 B12R1.17 C=CCN(C)c1cccc(c1)F 34a_100020633736_100015514636 [0,1,1,0,0,0|1,0,1]=4 1361 B12R1.17 C=CCN(C)c1cccc(c1)I 2230a_100000221217_100000210623 [0,1,1,0,0,0|1,0,1]=4 1362 B12R1.17 C=CCN(C)c1cccc(c1)I 269982a_100000221217_100000210623 [0,1,1,0,0,0|1,0,1]=4 1363 B12R1.17 C=CCN(C)c1cccc(c1)I 34a_100000221217_100015514636 [0,1,1,0,0,0|1,0,1]=4 1364 B12R1.17 C=CCN(C)c1cccc(c1)O 2230a_100000756613_100000210623 [0,1,1,0,0,0|1,0,1]=4 1365 B12R1.17 C=CCN(C)c1cccc(c1)O 269982a_100000756613_100000210623 [0,1,1,0,0,0|1,0,1]=4 1366 B12R1.17 C=CCN(C)c1cccc(c1)O 34a_100000756613_100015514636 [0,1,1,0,0,0|1,0,1]=4 1367 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,1,1,0,0,0|1,0,1]=4 1368 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,1,1,0,0,0|1,0,1]=4 1369 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,1,1,0,0,0|1,0,1]=4 1370 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,1,1,0,0,0|1,0,1]=4 1371 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,1,1,0,0,0|1,0,1]=4 1372 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,1,1,0,0,0|1,0,1]=4 1373 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,1,1,0,0,0|1,0,1]=4 1374 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,1,1,0,0,0|1,0,1]=4 1375 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,1,1,0,0,0|1,0,1]=4 1376 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,1,1,0,0,0|1,0,1]=4 1377 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,1,1,0,0,0|0,0,2]=4 1378 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,1,1,0,0,0|0,0,2]=4 1379 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,1,1,0,0,0|0,0,2]=4 1380 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,1,1,0,0,0|0,0,2]=4 1381 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,1,1,0,0,0|0,0,2]=4 1382 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,1,1,0,0,0|0,0,2]=4 1383 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,1,1,0,0,0|0,0,2]=4 1384 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,1,1,0,0,0|1,0,1]=4 1385 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,1,1,0,0,0|1,0,1]=4 1386 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,1,1,0,0,0|1,0,1]=4 1387 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,1,0,0,0|0,0,1]=3 1388 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,1,0,0,0|1,0,0]=3 1389 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,1,0,0,0|1,0,0]=3 1390 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,1,0,0,0|1,0,1]=4 1391 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,1,0,0,0|1,0,1]=4 1392 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,1,1,0,0,0|1,0,1]=4 1393 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,1,1,0,0,0|1,0,1]=4 1394 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,1,1,0,0,0|1,0,1]=4 1395 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,1,1,0,0,0|1,0,1]=4 1396 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,1,1,0,0,0|1,0,1]=4 1397 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,1,1,0,0,0|1,0,1]=4 1398 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,1,1,0,0,0|1,0,1]=4 1399 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,1,0,0,0|0,0,1]=3 1400 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,1,0,0,0|0,0,1]=3 1401 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,1,1,0,0,0|1,0,1]=4 1402 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,1,1,0,0,0|1,0,1]=4 1403 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,1,1,0,0,0|1,0,1]=4 1404 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,1,1,0,0,0|1,0,1]=4 1405 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,1,1,0,0,0|1,0,1]=4 1406 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,1,1,0,0,0|1,0,1]=4 1407 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,1,1,0,0,0|1,0,1]=4 1408 B12R1.308 C=CCN(C)c1ccccc1Br 2230a_100020606079_100000210623 [0,1,1,0,0,0|1,0,1]=4 1409 B12R1.308 C=CCN(C)c1ccccc1Br 269982a_100020606079_100000210623 [0,1,1,0,0,0|1,0,1]=4 1410 B12R1.308 C=CCN(C)c1ccccc1Br 34a_100020606079_100015514636 [0,1,1,0,0,0|1,0,1]=4 1411 B12R1.308 C=CCN(C)c1ccccc1C 2230a_100000219699_100000210623 [0,1,1,0,0,0|1,0,1]=4 1412 B12R1.308 C=CCN(C)c1ccccc1C 269982a_100000219699_100000210623 [0,1,1,0,0,0|1,0,1]=4 1413 B12R1.308 C=CCN(C)c1ccccc1C 34a_100000219699_100015514636 [0,1,1,0,0,0|1,0,1]=4 1414 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,1,1,0,0,0|1,0,1]=4 1415 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,1,1,0,0,0|1,0,1]=4 1416 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,1,1,0,0,0|1,0,1]=4 1417 B12R1.308 C=CCN(C)c1ccccc1F 2230a_100000220357_100000210623 [0,1,1,0,0,0|1,0,1]=4 1418 B12R1.308 C=CCN(C)c1ccccc1F 269982a_100000220357_100000210623 [0,1,1,0,0,0|1,0,1]=4 1419 B12R1.308 C=CCN(C)c1ccccc1F 34a_100000220357_100015514636 [0,1,1,0,0,0|1,0,1]=4 1420 B12R1.308 C=CCN(C)c1ccccc1F 38a_100000220357_100000210623 [0,1,1,0,0,0|1,0,1]=4 1421 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,1,1,0,0,0|1,0,1]=4 1422 B12R1.69 C=CCNc1ccc(cc1C)Br 34a_100000211769_100015514636 [0,1,1,0,0,0|1,0,1]=4 1423 B12R1.69 C=CCNc1ccc(cc1C)Br 7a_100000211769_100015514636 [0,1,1,0,0,0|1,0,1]=4 1424 B12R1.69 C=CCNc1ccc(cc1C)C 34a_100000736561_100015514636 [0,1,1,0,0,0|1,0,1]=4 1425 B12R1.69 C=CCNc1ccc(cc1C)C 7a_100000736561_100015514636 [0,1,1,0,0,0|1,0,1]=4 1426 B12R1.69 C=CCNc1ccc(cc1C)Cl 34a_100000210418_100015514636 [0,1,1,0,0,0|1,0,1]=4 1427 B12R1.69 C=CCNc1ccc(cc1C)Cl 7a_100000210418_100015514636 [0,1,1,0,0,0|1,0,1]=4 1428 B12R1.69 C=CCNc1ccc(cc1C)F 34a_100000211637_100015514636 [0,1,1,0,0,0|1,0,1]=4 1429 B12R1.69 C=CCNc1ccc(cc1C)F 7a_100000211637_100015514636 [0,1,1,0,0,0|1,0,1]=4 1430 B12R1.69 C=CCNc1ccc(cc1C)I 34a_100000184554_100015514636 [0,1,1,0,0,0|1,0,1]=4 1431 B12R1.69 C=CCNc1ccc(cc1C)I 7a_100000184554_100015514636 [0,1,1,0,0,0|1,0,1]=4 1432 B12R1.69 C=CCNc1ccc(cc1C)O 34a_100000756630_100015514636 [0,1,1,0,0,0|1,0,1]=4 1433 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,1,1,0,0,0|1,0,1]=4 1434 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,1,1,0,0,0|1,0,1]=4 1435 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,1,1,0,0,0|1,0,1]=4 1436 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,1,1,0,0,0|1,0,1]=4 1437 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,1,1,0,0,0|1,0,1]=4 1438 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,1,1,0,0,0|1,0,1]=4 1439 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,1,1,0,0,0|1,0,1]=4 1440 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,1,1,0,0,0|1,0,1]=4 1441 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,1,1,0,0,0|1,0,1]=4 1442 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,1,1,0,0,0|1,0,1]=4 1443 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,1,1,0,0,0|1,0,1]=4 1444 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,1,1,0,0,0|1,0,1]=4 1445 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000210623_100000701812 [0,1,1,0,0,0|1,0,1]=4 1446 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000701812_100000210623 [0,1,1,0,0,0|1,0,1]=4 1447 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100000210623_100011217332 [0,1,1,0,0,0|1,0,1]=4 1448 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100011217332_100000210623 [0,1,1,0,0,0|1,0,1]=4 1449 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100000210623_100011219607 [0,1,1,0,0,0|1,0,1]=4 1450 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100011219607_100000210623 [0,1,1,0,0,0|1,0,1]=4 1451 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100000210623_100011205405 [0,1,1,0,0,0|1,0,1]=4 1452 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100011205405_100000210623 [0,1,1,0,0,0|1,0,1]=4 1453 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210623_100000210723 [0,1,1,0,0,0|1,0,1]=4 1454 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210723_100000210623 [0,1,1,0,0,0|1,0,1]=4 1455 B12R1.69 C=CCSc1ccc(cc1C)O 62a_100000210623_100000690111 [0,1,1,0,0,0|1,0,1]=4 1456 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,1,1,0,0,0|1,0,1]=4 1457 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,1,1,0,0,0|1,0,1]=4 1458 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,1,1,0,0,0|1,0,1]=4 1459 B12R1.121 C=CCNc1ccccc1CO 34a_100000212039_100015514636 [0,1,1,0,0,0|1,0,1]=4 1460 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,1,1,0,0,0|1,0,1]=4 1461 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,1,1,0,0,0|1,0,1]=4 1462 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,1,1,0,0,0|1,0,1]=4 1463 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,1,1,0,0,0|1,0,1]=4 1464 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [0,1,1,0,0,0|1,0,1]=4 1465 B12R1.121 C=CCOc1ccccc1CO 34a_100011216872_100015514636 [0,1,1,0,0,0|1,0,1]=4 1466 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,1,1,0,0,0|1,0,1]=4 1467 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,1,1,0,0,0|1,0,1]=4 1468 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,1,1,0,0,0|1,0,1]=4 1469 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,1,1,0,0,0|1,0,1]=4 1470 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,1,1,0,0,0|1,0,1]=4 1471 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,1,1,0,0,0|1,0,1]=4 1472 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,1,1,0,0,0|1,0,1]=4 1473 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,1,1,0,0,0|1,0,1]=4 1474 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,1,1,0,0,0|1,0,1]=4 1475 B12R1.121 C=CCSc1ccccc1CN 62a_100000210623_100000689332 [0,1,1,0,0,0|1,0,1]=4 1476 B12R1.121 C=CCSc1ccccc1CN 62a_100000689332_100000210623 [0,1,1,0,0,0|1,0,1]=4 1477 B12R1.121 C=CCSc1ccccc1CO 62a_100000187465_100000210623 [0,1,1,0,0,0|1,0,1]=4 1478 B12R1.121 C=CCSc1ccccc1CO 62a_100000210623_100000187465 [0,1,1,0,0,0|1,0,1]=4 1479 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,1,1,0,0,0|1,0,1]=4 1480 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,1,1,0,0,0|1,0,1]=4 1481 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,1,1,0,0,0|1,0,1]=4 1482 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,1,1,0,0,0|1,0,1]=4 1483 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,1,1,0,0,0|1,0,1]=4 1484 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,1,1,0,0,0|1,0,1]=4 1485 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,1,1,0,0,0|1,0,1]=4 1486 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,1,1,0,0,0|1,0,1]=4 1487 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,1,1,0,0,0|1,0,1]=4 1488 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,1,1,0,0,0|1,0,1]=4 1489 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,1,1,0,0,0|1,0,0]=3 1490 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,1,1,0,0,0|1,0,0]=3 1491 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,1,1,0,0,0|1,0,0]=3 1492 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,1,1,0,0,0|1,0,0]=3 1493 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,1,1,0,0,0|1,0,1]=4 1494 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,1,0,0,0|1,0,1]=4 1495 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,1,0,0,0|1,0,1]=4 1496 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,1,1,0,0,0|1,0,1]=4 1497 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,1,1,0,0,0|1,0,1]=4 1498 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [0,1,1,0,0,0|1,0,1]=4 1499 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,1,1,0,0,0|1,0,1]=4 1500 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,1,1,0,0,0|1,0,1]=4 1501 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000042424_100000210755 [0,1,1,0,0,0|1,0,1]=4 1502 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000210755_100000042424 [0,1,1,0,0,0|1,0,1]=4 1503 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,1,0,0,0|1,0,1]=4 1504 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,1,0,0,0|1,0,1]=4 1505 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,1,0,0,0|1,0,1]=4 1506 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,1,0,0,0|1,0,1]=4 1507 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,1,1,0,0,0|0,0,2]=4 1508 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,1,1,0,0,0|0,0,2]=4 1509 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,1,0,0,0|1,0,1]=4 1510 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,1,0,0,0|1,0,1]=4 1511 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,1,0,0,0|1,0,1]=4 1512 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,1,0,0,0|1,0,1]=4 1513 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,1,1,0,0,0|0,0,2]=4 1514 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,1,1,0,0,0|0,0,2]=4 1515 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,1,1,0,0,0|0,0,2]=4 1516 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,1,1,0,0,0|0,0,2]=4 1517 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,1,1,0,0,0|0,0,2]=4 1518 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,1,1,0,0,0|0,0,2]=4 1519 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,1,1,0,0,0|0,0,2]=4 1520 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,1,1,0,0,0|0,0,2]=4 1521 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,1,1,0,0,0|0,0,2]=4 1522 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,1,1,0,0,0|0,0,2]=4 1523 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,1,1,0,0,0|0,0,2]=4 1524 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,1,1,0,0,0|0,0,2]=4 1525 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,1,1,0,0,0|0,0,2]=4 1526 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,1,1,0,0,0|0,0,2]=4 1527 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,1,1,0,0,0|0,0,2]=4 1528 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,1,1,0,0,0|0,0,2]=4 1529 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,1,1,0,0,0|0,0,2]=4 1530 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,1,1,0,0,0|0,0,2]=4 1531 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,1,1,0,0,0|0,0,2]=4 1532 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,1,1,0,0,0|0,0,2]=4 1533 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,1,1,0,0,0|0,0,2]=4 1534 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,1,1,0,0,0|0,0,2]=4 1535 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,1,1,0,0,0|0,0,2]=4 1536 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,1,1,0,0,0|0,0,2]=4 1537 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [0,1,1,0,0,0|0,0,2]=4 1538 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,1,1,0,0,0|0,0,2]=4 1539 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,1,0,0,0|1,0,1]=4 1540 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,1,0,0,0|0,0,1]=3 1541 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,1,0,0,0|1,0,1]=4 1542 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,1,0,0,0|1,0,1]=4 1543 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,1,0,0,0|1,0,1]=4 1544 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [0,1,1,0,0,0|1,0,1]=4 1545 B12R1.371 C=CC(=O)Cc1ccncc1C 1458a_100000185746_100020672808 [0,1,1,0,0,0|1,0,1]=4 1546 B12R1.371 C=CC(=O)Cc1cnccc1C 1458a_100000185746_100000690890 [0,1,1,0,0,0|1,0,1]=4 1547 B12R1.371 C=CC(=O)Cc1ncccc1C 1458a_100000185746_100000696600 [0,1,1,0,0,0|1,0,1]=4 1548 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,1,0,0,0|2,0,0]=4 1549 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,1,0,0,0|1,0,0]=3 1550 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,1,0,0,0|1,0,0]=3 1551 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,1,0,0,0|2,0,0]=4 1552 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,1,0,0,0|2,0,0]=4 1553 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,1,0,0,0|2,0,0]=4 1554 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,1,0,0,0|2,0,0]=4 1555 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,1,0,0,0|2,0,0]=4 1556 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,1,0,0,0|2,0,0]=4 1557 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,1,1,0,0,0|1,0,1]=4 1558 B12R1.374 C=CCNc1cc(ccc1C)Br 34a_100000741167_100015514636 [0,1,1,0,0,0|1,0,1]=4 1559 B12R1.374 C=CCNc1cc(ccc1C)Br 7a_100000741167_100015514636 [0,1,1,0,0,0|1,0,1]=4 1560 B12R1.374 C=CCNc1cc(ccc1C)C 2230a_100000185781_100000210623 [0,1,1,0,0,0|1,0,1]=4 1561 B12R1.374 C=CCNc1cc(ccc1C)C 34a_100000185781_100015514636 [0,1,1,0,0,0|1,0,1]=4 1562 B12R1.374 C=CCNc1cc(ccc1C)C 7a_100000185781_100015514636 [0,1,1,0,0,0|1,0,1]=4 1563 B12R1.374 C=CCNc1cc(ccc1C)Cl 34a_100000211374_100015514636 [0,1,1,0,0,0|1,0,1]=4 1564 B12R1.374 C=CCNc1cc(ccc1C)Cl 7a_100000211374_100015514636 [0,1,1,0,0,0|1,0,1]=4 1565 B12R1.374 C=CCNc1cc(ccc1C)F 34a_100000211107_100015514636 [0,1,1,0,0,0|1,0,1]=4 1566 B12R1.374 C=CCNc1cc(ccc1C)F 7a_100000211107_100015514636 [0,1,1,0,0,0|1,0,1]=4 1567 B12R1.374 C=CCNc1cc(ccc1C)I 7a_100000761890_100015514636 [0,1,1,0,0,0|1,0,1]=4 1568 B12R1.374 C=CCNc1cc(ccc1C)O 34a_100011216113_100015514636 [0,1,1,0,0,0|1,0,1]=4 1569 B12R1.374 C=CCOc1cc(ccc1C)Br 34a_100000685420_100015514636 [0,1,1,0,0,0|1,0,1]=4 1570 B12R1.374 C=CCOc1cc(ccc1C)Br 7a_100000685420_100015514636 [0,1,1,0,0,0|1,0,1]=4 1571 B12R1.374 C=CCOc1cc(ccc1C)C 34a_100000210931_100015514636 [0,1,1,0,0,0|1,0,1]=4 1572 B12R1.374 C=CCOc1cc(ccc1C)C 7a_100000210931_100015514636 [0,1,1,0,0,0|1,0,1]=4 1573 B12R1.374 C=CCOc1cc(ccc1C)Cl 34a_100000756515_100015514636 [0,1,1,0,0,0|1,0,1]=4 1574 B12R1.374 C=CCOc1cc(ccc1C)Cl 7a_100000756515_100015514636 [0,1,1,0,0,0|1,0,1]=4 1575 B12R1.374 C=CCOc1cc(ccc1C)F 34a_100000690566_100015514636 [0,1,1,0,0,0|1,0,1]=4 1576 B12R1.374 C=CCOc1cc(ccc1C)F 7a_100000690566_100015514636 [0,1,1,0,0,0|1,0,1]=4 1577 B12R1.374 C=CCOc1cc(ccc1C)I 7a_100000766334_100015514636 [0,1,1,0,0,0|1,0,1]=4 1578 B12R1.374 C=CCOc1cc(ccc1C)N 34a_100000759471_100015514636 [0,1,1,0,0,0|1,0,1]=4 1579 B12R1.374 C=CCOc1cc(ccc1C)N 7a_100000759471_100015514636 [0,1,1,0,0,0|1,0,1]=4 1580 B12R1.374 C=CCSc1cc(ccc1C)Br 62a_100000210623_100011344865 [0,1,1,0,0,0|1,0,1]=4 1581 B12R1.374 C=CCSc1cc(ccc1C)Br 62a_100011344865_100000210623 [0,1,1,0,0,0|1,0,1]=4 1582 B12R1.374 C=CCSc1cc(ccc1C)C 62a_100000210623_100000210833 [0,1,1,0,0,0|1,0,1]=4 1583 B12R1.374 C=CCSc1cc(ccc1C)C 62a_100000210833_100000210623 [0,1,1,0,0,0|1,0,1]=4 1584 B12R1.374 C=CCSc1cc(ccc1C)Cl 62a_100000210623_100011263213 [0,1,1,0,0,0|1,0,1]=4 1585 B12R1.374 C=CCSc1cc(ccc1C)Cl 62a_100011263213_100000210623 [0,1,1,0,0,0|1,0,1]=4 1586 B12R1.374 C=CCSc1cc(ccc1C)F 62a_100000210623_100011218078 [0,1,1,0,0,0|1,0,1]=4 1587 B12R1.374 C=CCSc1cc(ccc1C)F 62a_100011218078_100000210623 [0,1,1,0,0,0|1,0,1]=4 1588 B12R1.374 C=CCSc1cc(ccc1C)N 62a_100000210623_100000736455 [0,1,1,0,0,0|1,0,1]=4 1589 B12R1.374 C=CCSc1cc(ccc1C)N 62a_100000736455_100000210623 [0,1,1,0,0,0|1,0,1]=4 1590 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100000210623_100011380479 [0,1,1,0,0,0|1,0,1]=4 1591 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100011380479_100000210623 [0,1,1,0,0,0|1,0,1]=4 1592 B12R1.1631 C=CCNc1c(cccc1Br)C 34a_100011834072_100015514636 [0,1,1,0,0,0|1,0,1]=4 1593 B12R1.1631 C=CCNc1c(cccc1C)C 34a_100000185769_100015514636 [0,1,1,0,0,0|1,0,1]=4 1594 B12R1.1631 C=CCNc1c(cccc1Cl)C 34a_100000756524_100015514636 [0,1,1,0,0,0|1,0,1]=4 1595 B12R1.1631 C=CCNc1c(cccc1F)C 34a_100000766463_100015514636 [0,1,1,0,0,0|1,0,1]=4 1596 B12R1.1631 C=CCNc1c(cccc1O)C 34a_100000743429_100015514636 [0,1,1,0,0,0|1,0,1]=4 1597 B12R1.1631 C=CCOc1c(cccc1Br)C 34a_100009817157_100015514636 [0,1,1,0,0,0|1,0,1]=4 1598 B12R1.1631 C=CCOc1c(cccc1Br)C 7a_100009817157_100015514636 [0,1,1,0,0,0|1,0,1]=4 1599 B12R1.1631 C=CCOc1c(cccc1C)C 34a_100000210341_100015514636 [0,1,1,0,0,0|1,0,1]=4 1600 B12R1.1631 C=CCOc1c(cccc1C)C 7a_100000210341_100015514636 [0,1,1,0,0,0|1,0,1]=4 1601 B12R1.1631 C=CCOc1c(cccc1Cl)C 34a_100000033731_100015514636 [0,1,1,0,0,0|1,0,1]=4 1602 B12R1.1631 C=CCOc1c(cccc1Cl)C 7a_100000033731_100015514636 [0,1,1,0,0,0|1,0,1]=4 1603 B12R1.1631 C=CCOc1c(cccc1F)C 34a_100011659162_100015514636 [0,1,1,0,0,0|1,0,1]=4 1604 B12R1.1631 C=CCOc1c(cccc1F)C 7a_100011659162_100015514636 [0,1,1,0,0,0|1,0,1]=4 1605 B12R1.1631 C=CCOc1c(cccc1N)C 34a_100000756359_100015514636 [0,1,1,0,0,0|1,0,1]=4 1606 B12R1.1631 C=CCOc1c(cccc1N)C 7a_100000756359_100015514636 [0,1,1,0,0,0|1,0,1]=4 1607 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100000210623_100010141302 [0,1,1,0,0,0|1,0,1]=4 1608 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100010141302_100000210623 [0,1,1,0,0,0|1,0,1]=4 1609 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000033847_100000210623 [0,1,1,0,0,0|1,0,1]=4 1610 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000210623_100000033847 [0,1,1,0,0,0|1,0,1]=4 1611 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000043165_100000210623 [0,1,1,0,0,0|1,0,1]=4 1612 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000210623_100000043165 [0,1,1,0,0,0|1,0,1]=4 1613 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100000210623_100011218421 [0,1,1,0,0,0|1,0,1]=4 1614 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100011218421_100000210623 [0,1,1,0,0,0|1,0,1]=4 1615 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000210623_100000684715 [0,1,1,0,0,0|1,0,1]=4 1616 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000684715_100000210623 [0,1,1,0,0,0|1,0,1]=4 1617 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000210623_100000686692 [0,1,1,0,0,0|1,0,1]=4 1618 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000686692_100000210623 [0,1,1,0,0,0|1,0,1]=4 1619 B12R1.28 C/C=C/CNc1cccc(c1)C 34a_100000188690_100102629194 [0,1,1,0,0,0|0,0,2]=4 1620 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,1,1,0,0,0|0,0,2]=4 1621 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,1,1,0,0,0|0,0,2]=4 1622 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100011215228_100102629194 [0,1,1,0,0,0|0,0,2]=4 1623 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100102629194_100011215228 [0,1,1,0,0,0|0,0,2]=4 1624 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,1,1,0,0,0|0,0,2]=4 1625 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,1,1,0,0,0|0,0,2]=4 1626 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,1,1,0,0,0|0,0,2]=4 1627 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,1,1,0,0,0|0,0,2]=4 1628 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,1,1,0,0,0|0,0,2]=4 1629 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,1,1,0,0,0|0,0,2]=4 1630 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,1,1,0,0,0|0,0,2]=4 1631 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,1,1,0,0,0|0,0,2]=4 1632 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,1,1,0,0,0|0,0,2]=4 1633 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,1,1,0,0,0|0,0,2]=4 1634 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,1,1,0,0,0|0,0,2]=4 1635 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,1,1,0,0,0|0,0,2]=4 1636 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,1,1,0,0,0|0,0,2]=4 1637 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,1,1,0,0,0|0,0,2]=4 1638 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,1,1,0,0,0|0,0,2]=4 1639 B12R1.28 CC=CCNc1cccc(c1)C 2230a_100000188690_100000070051 [0,1,1,0,0,0|0,0,2]=4 1640 B12R1.28 CC=CCNc1cccc(c1)C 34a_100000188690_100000070051 [0,1,1,0,0,0|0,0,2]=4 1641 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,1,1,0,0,0|0,0,2]=4 1642 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,1,1,0,0,0|0,0,2]=4 1643 B12R1.28 CC=CCSc1cccc(c1)C 62a_100000070051_100011215228 [0,1,1,0,0,0|0,0,2]=4 1644 B12R1.28 CC=CCSc1cccc(c1)C 62a_100011215228_100000070051 [0,1,1,0,0,0|0,0,2]=4 1645 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [0,1,1,0,0,0|0,0,2]=4 1646 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [0,1,1,0,0,0|0,0,2]=4 1647 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [0,1,1,0,0,0|0,0,2]=4 1648 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [0,1,1,0,0,0|0,0,2]=4 1649 B12R1.50 C=CC(=O)Cc1cc(ccn1)C 1458a_100000185746_100000718516 [0,1,1,0,0,0|1,0,1]=4 1650 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,1,0,0,0|1,0,1]=4 1651 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,1,0,0,0|0,0,1]=3 1652 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,1,0,0,0|1,0,1]=4 1653 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,1,0,0,0|1,0,1]=4 1654 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,1,0,0,0|1,0,1]=4 1655 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,1,0,0,0|1,0,1]=4 1656 B12R1.50 C=CC(=O)Cc1cccc(n1)C 1458a_100000185746_100000757606 [0,1,1,0,0,0|1,0,1]=4 1657 B12R1.50 C=CC(=O)Cc1ccnc(c1)C 1458a_100000185746_200020672517 [0,1,1,0,0,0|1,0,1]=4 1658 B12R1.50 C=CC(=O)Cc1cncc(c1)C 1458a_100000185746_100000716715 [0,1,1,0,0,0|1,0,1]=4 1659 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,1,0,0,0|2,0,0]=4 1660 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,1,0,0,0|2,0,0]=4 1661 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,1,0,0,0|1,0,0]=3 1662 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,1,0,0,0|1,0,0]=3 1663 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,1,0,0,0|2,0,0]=4 1664 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,1,0,0,0|2,0,0]=4 1665 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,1,0,0,0|2,0,0]=4 1666 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,1,0,0,0|2,0,0]=4 1667 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,1,0,0,0|2,0,0]=4 1668 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,1,0,0,0|2,0,0]=4 1669 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,1,0,0,0|2,0,0]=4 1670 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,1,0,0,0|2,0,0]=4 1671 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,1,1,0,0,0|1,0,1]=4 1672 B12R1.100 C=CCNc1cc(cc(c1)Br)C 34a_100000695972_100015514636 [0,1,1,0,0,0|1,0,1]=4 1673 B12R1.100 C=CCNc1cc(cc(c1)Br)C 7a_100000695972_100015514636 [0,1,1,0,0,0|1,0,1]=4 1674 B12R1.100 C=CCNc1cc(cc(c1)C)C 2230a_100000210930_100000210623 [0,1,1,0,0,0|1,0,1]=4 1675 B12R1.100 C=CCNc1cc(cc(c1)C)C 34a_100000210930_100015514636 [0,1,1,0,0,0|1,0,1]=4 1676 B12R1.100 C=CCNc1cc(cc(c1)C)C 7a_100000210930_100015514636 [0,1,1,0,0,0|1,0,1]=4 1677 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210623 [0,1,1,0,0,0|1,0,1]=4 1678 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 34a_100012022512_100015514636 [0,1,1,0,0,0|1,0,1]=4 1679 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 7a_100012022512_100015514636 [0,1,1,0,0,0|1,0,1]=4 1680 B12R1.100 C=CCNc1cc(cc(c1)F)C 2230a_100000742734_100000210623 [0,1,1,0,0,0|1,0,1]=4 1681 B12R1.100 C=CCNc1cc(cc(c1)F)C 34a_100000742734_100015514636 [0,1,1,0,0,0|1,0,1]=4 1682 B12R1.100 C=CCNc1cc(cc(c1)F)C 7a_100000742734_100015514636 [0,1,1,0,0,0|1,0,1]=4 1683 B12R1.100 C=CCNc1cc(cc(c1)O)C 34a_100011995906_100015514636 [0,1,1,0,0,0|1,0,1]=4 1684 B12R1.100 C=CCNc1cc(cc(c1)O)C 7a_100011995906_100015514636 [0,1,1,0,0,0|1,0,1]=4 1685 B12R1.100 C=CCOc1cc(cc(c1)Br)C 34a_100011999630_100015514636 [0,1,1,0,0,0|1,0,1]=4 1686 B12R1.100 C=CCOc1cc(cc(c1)Br)C 7a_100011999630_100015514636 [0,1,1,0,0,0|1,0,1]=4 1687 B12R1.100 C=CCOc1cc(cc(c1)C)C 34a_100000210933_100015514636 [0,1,1,0,0,0|1,0,1]=4 1688 B12R1.100 C=CCOc1cc(cc(c1)C)C 7a_100000210933_100015514636 [0,1,1,0,0,0|1,0,1]=4 1689 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 34a_100000087485_100015514636 [0,1,1,0,0,0|1,0,1]=4 1690 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 7a_100000087485_100015514636 [0,1,1,0,0,0|1,0,1]=4 1691 B12R1.100 C=CCOc1cc(cc(c1)F)C 34a_100011830401_100015514636 [0,1,1,0,0,0|1,0,1]=4 1692 B12R1.100 C=CCOc1cc(cc(c1)F)C 7a_100011830401_100015514636 [0,1,1,0,0,0|1,0,1]=4 1693 B12R1.100 C=CCOc1cc(cc(c1)N)C 34a_100011995906_100015514636 [0,1,1,0,0,0|1,0,1]=4 1694 B12R1.100 C=CCOc1cc(cc(c1)N)C 7a_100011995906_100015514636 [0,1,1,0,0,0|1,0,1]=4 1695 B12R1.100 C=CCSc1cc(cc(c1)C)C 62a_100000210623_100011215608 [0,1,1,0,0,0|1,0,1]=4 1696 B12R1.100 C=CCSc1cc(cc(c1)C)C 62a_100011215608_100000210623 [0,1,1,0,0,0|1,0,1]=4 1697 B12R1.100 C=CCSc1cc(cc(c1)Cl)C 62a_100000210623_100010172791 [0,1,1,0,0,0|1,0,1]=4 1698 B12R1.100 C=CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210623 [0,1,1,0,0,0|1,0,1]=4 1699 B12R1.100 C=CCSc1cc(cc(c1)F)C 62a_100000210623_100011356977 [0,1,1,0,0,0|1,0,1]=4 1700 B12R1.100 C=CCSc1cc(cc(c1)F)C 62a_100011356977_100000210623 [0,1,1,0,0,0|1,0,1]=4 1701 B12R1.100 C=CCSc1cc(cc(c1)N)C 62a_100000210623_100000695972 [0,1,1,0,0,0|1,0,1]=4 1702 B12R1.100 C=CCSc1cc(cc(c1)N)C 62a_100000695972_100000210623 [0,1,1,0,0,0|1,0,1]=4 1703 B12R1.100 C=CCSc1cc(cc(c1)O)C 62a_100000210623_100011999630 [0,1,1,0,0,0|1,0,1]=4 1704 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,1,1,0,0,0|1,0,1]=4 1705 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,1,1,0,0,0|1,0,1]=4 1706 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,1,1,0,0,0|1,0,1]=4 1707 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,1,1,0,0,0|1,0,1]=4 1708 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,1,1,0,0,0|1,0,1]=4 1709 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,1,1,0,0,0|1,0,1]=4 1710 B12R1.226 C=C(F)CNc1cccc(c1)C 2230a_100000188690_100009893438 [0,1,1,0,0,0|1,0,1]=4 1711 B12R1.226 C=C(F)CNc1cccc(c1)C 34a_100000188690_100009893438 [0,1,1,0,0,0|1,0,1]=4 1712 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,1,1,0,0,0|1,0,1]=4 1713 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,1,1,0,0,0|1,0,1]=4 1714 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100000042424_100011215228 [0,1,1,0,0,0|1,0,1]=4 1715 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100011215228_100000042424 [0,1,1,0,0,0|1,0,1]=4 1716 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,1,0,0,0|1,0,1]=4 1717 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,1,0,0,0|1,0,1]=4 1718 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,1,0,0,0|0,0,1]=3 1719 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,1,0,0,0|1,0,1]=4 1720 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,1,0,0,0|1,0,1]=4 1721 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,1,0,0,0|1,0,1]=4 1722 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,1,0,0,0|0,0,1]=3 1723 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,1,1,0,0,0|0,0,2]=4 1724 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,1,1,0,0,0|0,0,2]=4 1725 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,1,0,0,0|1,0,1]=4 1726 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,1,0,0,0|1,0,1]=4 1727 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,1,0,0,0|1,0,1]=4 1728 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,1,0,0,0|1,0,1]=4 1729 B12R1.382 C=CCNc1cccc(c1)CC 2230a_100000211250_100000210623 [0,1,1,0,0,0|1,0,1]=4 1730 B12R1.382 C=CCNc1cccc(c1)CC 34a_100000211250_100015514636 [0,1,1,0,0,0|1,0,1]=4 1731 B12R1.382 C=CCNc1cccc(c1)CC 7a_100000211250_100015514636 [0,1,1,0,0,0|1,0,1]=4 1732 B12R1.382 C=CCNc1cccc(c1)CF 2230a_100000126320_100000210623 [0,1,1,0,0,0|1,0,1]=4 1733 B12R1.382 C=CCNc1cccc(c1)CF 34a_100000126320_100015514636 [0,1,1,0,0,0|1,0,1]=4 1734 B12R1.382 C=CCNc1cccc(c1)CF 7a_100000126320_100015514636 [0,1,1,0,0,0|1,0,1]=4 1735 B12R1.382 C=CCNc1cccc(c1)CO 2230a_100000211919_100000210623 [0,1,1,0,0,0|1,0,1]=4 1736 B12R1.382 C=CCNc1cccc(c1)CO 34a_100000211919_100015514636 [0,1,1,0,0,0|1,0,1]=4 1737 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [0,1,1,0,0,0|1,0,1]=4 1738 B12R1.382 C=CCNc1cccc(c1)SC 2230a_100000210049_100000210623 [0,1,1,0,0,0|1,0,1]=4 1739 B12R1.382 C=CCNc1cccc(c1)SC 34a_100000210049_100015514636 [0,1,1,0,0,0|1,0,1]=4 1740 B12R1.382 C=CCOc1cccc(c1)CBr 34a_100011660834_100015514636 [0,1,1,0,0,0|1,0,1]=4 1741 B12R1.382 C=CCOc1cccc(c1)CBr 7a_100011660834_100015514636 [0,1,1,0,0,0|1,0,1]=4 1742 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [0,1,1,0,0,0|1,0,1]=4 1743 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [0,1,1,0,0,0|1,0,1]=4 1744 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [0,1,1,0,0,0|1,0,1]=4 1745 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [0,1,1,0,0,0|1,0,1]=4 1746 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [0,1,1,0,0,0|1,0,1]=4 1747 B12R1.382 C=CCOc1cccc(c1)CO 34a_100011214949_100015514636 [0,1,1,0,0,0|1,0,1]=4 1748 B12R1.382 C=CCOc1cccc(c1)CO 7a_100011214949_100015514636 [0,1,1,0,0,0|1,0,1]=4 1749 B12R1.382 C=CCOc1cccc(c1)NC 34a_100000756613_100015514636 [0,1,1,0,0,0|1,0,1]=4 1750 B12R1.382 C=CCOc1cccc(c1)NC 7a_100000756613_100015514636 [0,1,1,0,0,0|1,0,1]=4 1751 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [0,1,1,0,0,0|1,0,1]=4 1752 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [0,1,1,0,0,0|1,0,1]=4 1753 B12R1.382 C=CCOc1cccc(c1)SC 34a_100011265683_100015514636 [0,1,1,0,0,0|1,0,1]=4 1754 B12R1.382 C=CCOc1cccc(c1)SC 7a_100011265683_100015514636 [0,1,1,0,0,0|1,0,1]=4 1755 B12R1.382 C=CCSc1cccc(c1)CC 62a_100000210623_100011263222 [0,1,1,0,0,0|1,0,1]=4 1756 B12R1.382 C=CCSc1cccc(c1)CC 62a_100011263222_100000210623 [0,1,1,0,0,0|1,0,1]=4 1757 B12R1.382 C=CCSc1cccc(c1)CF 62a_100000210623_100010878472 [0,1,1,0,0,0|1,0,1]=4 1758 B12R1.382 C=CCSc1cccc(c1)CF 62a_100010878472_100000210623 [0,1,1,0,0,0|1,0,1]=4 1759 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000106179_100000210623 [0,1,1,0,0,0|1,0,1]=4 1760 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000210623_100000106179 [0,1,1,0,0,0|1,0,1]=4 1761 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000210623_100000687537 [0,1,1,0,0,0|1,0,1]=4 1762 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000687537_100000210623 [0,1,1,0,0,0|1,0,1]=4 1763 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000210623_100000219648 [0,1,1,0,0,0|1,0,1]=4 1764 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000219648_100000210623 [0,1,1,0,0,0|1,0,1]=4 1765 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [0,1,1,0,0,0|1,0,1]=4 1766 B12R1.382 C=CCSc1cccc(c1)SC 62a_100000210623_100011215954 [0,1,1,0,0,0|1,0,1]=4 1767 B12R1.382 C=CCSc1cccc(c1)SC 62a_100011215954_100000210623 [0,1,1,0,0,0|1,0,1]=4 1768 B12R1.385 C=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210623 [0,1,1,0,0,0|1,0,1]=4 1769 B12R1.385 C=CCNc1ccc(c(c1)C)Br 34a_100000210723_100015514636 [0,1,1,0,0,0|1,0,1]=4 1770 B12R1.385 C=CCNc1ccc(c(c1)C)Br 7a_100000210723_100015514636 [0,1,1,0,0,0|1,0,1]=4 1771 B12R1.385 C=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210623 [0,1,1,0,0,0|1,0,1]=4 1772 B12R1.385 C=CCNc1ccc(c(c1)C)C 34a_100000724040_100015514636 [0,1,1,0,0,0|1,0,1]=4 1773 B12R1.385 C=CCNc1ccc(c(c1)C)C 7a_100000724040_100015514636 [0,1,1,0,0,0|1,0,1]=4 1774 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [0,1,1,0,0,0|1,0,1]=4 1775 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [0,1,1,0,0,0|1,0,1]=4 1776 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [0,1,1,0,0,0|1,0,1]=4 1777 B12R1.385 C=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210623 [0,1,1,0,0,0|1,0,1]=4 1778 B12R1.385 C=CCNc1ccc(c(c1)C)F 34a_100000750164_100015514636 [0,1,1,0,0,0|1,0,1]=4 1779 B12R1.385 C=CCNc1ccc(c(c1)C)F 7a_100000750164_100015514636 [0,1,1,0,0,0|1,0,1]=4 1780 B12R1.385 C=CCNc1ccc(c(c1)C)I 34a_100000198070_100015514636 [0,1,1,0,0,0|1,0,1]=4 1781 B12R1.385 C=CCNc1ccc(c(c1)C)I 7a_100000198070_100015514636 [0,1,1,0,0,0|1,0,1]=4 1782 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [0,1,1,0,0,0|1,0,1]=4 1783 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [0,1,1,0,0,0|1,0,1]=4 1784 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,1,1,0,0,0|1,0,1]=4 1785 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,1,1,0,0,0|1,0,1]=4 1786 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,1,1,0,0,0|1,0,1]=4 1787 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,1,1,0,0,0|1,0,1]=4 1788 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,1,1,0,0,0|1,0,1]=4 1789 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,1,1,0,0,0|1,0,1]=4 1790 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,1,1,0,0,0|1,0,1]=4 1791 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,1,1,0,0,0|1,0,1]=4 1792 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,1,1,0,0,0|1,0,1]=4 1793 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,1,1,0,0,0|1,0,1]=4 1794 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,1,1,0,0,0|1,0,1]=4 1795 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,1,1,0,0,0|1,0,1]=4 1796 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100000210623_100009813585 [0,1,1,0,0,0|1,0,1]=4 1797 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210623 [0,1,1,0,0,0|1,0,1]=4 1798 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100000210623_100011215607 [0,1,1,0,0,0|1,0,1]=4 1799 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100011215607_100000210623 [0,1,1,0,0,0|1,0,1]=4 1800 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [0,1,1,0,0,0|1,0,1]=4 1801 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [0,1,1,0,0,0|1,0,1]=4 1802 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100000210623_100011218330 [0,1,1,0,0,0|1,0,1]=4 1803 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100011218330_100000210623 [0,1,1,0,0,0|1,0,1]=4 1804 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000210623_100000211769 [0,1,1,0,0,0|1,0,1]=4 1805 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000211769_100000210623 [0,1,1,0,0,0|1,0,1]=4 1806 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [0,1,1,0,0,0|1,0,1]=4 1807 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,1,1,0,0,0|1,0,1]=4 1808 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,1,1,0,0,0|1,0,1]=4 1809 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,1,1,0,0,0|1,0,1]=4 1810 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,1,1,0,0,0|1,0,1]=4 1811 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,1,1,0,0,0|1,0,1]=4 1812 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,1,1,0,0,0|1,0,1]=4 1813 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,1,1,0,0,0|1,0,1]=4 1814 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,1,1,0,0,0|1,0,1]=4 1815 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,1,1,0,0,0|1,0,1]=4 1816 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,1,1,0,0,0|1,0,1]=4 1817 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,1,1,0,0,0|1,0,1]=4 1818 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,1,1,0,0,0|1,0,1]=4 1819 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,1,1,0,0,0|1,0,1]=4 1820 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,1,1,0,0,0|1,0,1]=4 1821 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,1,1,0,0,0|1,0,1]=4 1822 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,1,1,0,0,0|1,0,1]=4 1823 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,1,1,0,0,0|1,0,1]=4 1824 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,1,1,0,0,0|1,0,1]=4 1825 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,1,1,0,0,0|1,0,1]=4 1826 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,1,1,0,0,0|1,0,1]=4 1827 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,1,1,0,0,0|1,0,1]=4 1828 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,1,1,0,0,0|1,0,1]=4 1829 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,1,1,0,0,0|1,0,1]=4 1830 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,1,1,0,0,0|1,0,1]=4 1831 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,1,1,0,0,0|1,0,1]=4 1832 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,1,1,0,0,0|1,0,1]=4 1833 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,1,1,0,0,0|1,0,1]=4 1834 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,1,1,0,0,0|1,0,1]=4 1835 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,1,1,0,0,0|1,0,1]=4 1836 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,1,1,0,0,0|1,0,1]=4 1837 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,1,1,0,0,0|1,0,1]=4 1838 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,1,1,0,0,0|1,0,1]=4 1839 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,1,1,0,0,0|1,0,1]=4 1840 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,1,1,0,0,0|1,0,1]=4 1841 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,1,1,0,0,0|1,0,1]=4 1842 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,1,1,0,0,0|1,0,1]=4 1843 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,1,1,0,0,0|1,0,1]=4 1844 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,1,1,0,0,0|1,0,1]=4 1845 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,1,1,0,0,0|1,0,1]=4 1846 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,1,1,0,0,0|1,0,1]=4 1847 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,1,1,0,0,0|1,0,1]=4 1848 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,1,1,0,0,0|1,0,1]=4 1849 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,1,1,0,0,0|1,0,1]=4 1850 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,1,1,0,0,0|1,0,1]=4 1851 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,1,1,0,0,0|1,0,1]=4 1852 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,1,1,0,0,0|1,0,1]=4 1853 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,1,1,0,0,0|1,0,1]=4 1854 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,1,1,0,0,0|1,0,1]=4 1855 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,1,1,0,0,0|1,0,1]=4 1856 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,1,1,0,0,0|1,0,1]=4 1857 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,1,1,0,0,0|1,0,1]=4 1858 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,1,1,0,0,0|1,0,1]=4 1859 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,1,1,0,0,0|1,0,1]=4 1860 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,1,1,0,0,0|1,0,1]=4 1861 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,1,1,0,0,0|1,0,1]=4 1862 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,1,1,0,0,0|1,0,1]=4 1863 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,1,1,0,0,0|0,0,2]=4 1864 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,1,1,0,0,0|0,0,2]=4 1865 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,1,1,0,0,0|0,0,2]=4 1866 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,1,1,0,0,0|0,0,2]=4 1867 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,1,1,0,0,0|0,0,2]=4 1868 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,1,1,0,0,0|0,0,2]=4 1869 B12R1.1 CCOC=Cc1ccc(cc1)Br 271570a_100016256518_100000752885 [0,1,1,0,0,0|1,0,1]=4 1870 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [0,1,1,0,0,0|1,0,1]=4 1871 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [0,1,1,0,0,0|1,0,1]=4 1872 B12R1.1 CCOC=Cc1ccc(cc1)F 271570a_100016256518_100000211213 [0,1,1,0,0,0|1,0,1]=4 1873 B12R1.1 CCOC=Cc1ccc(cc1)N 271570a_100016256518_100000185761 [0,1,1,0,0,0|1,0,1]=4 1874 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [0,1,1,0,0,0|1,0,1]=4 1875 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [0,1,1,0,0,0|1,0,1]=4 1876 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [0,1,1,0,0,0|1,0,1]=4 1877 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [0,1,1,0,0,0|1,0,1]=4 1878 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [0,1,1,0,0,0|1,0,1]=4 1879 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [0,1,1,0,0,0|1,0,1]=4 1880 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,1,1,0,0,0|1,0,1]=4 1881 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [0,1,1,0,0,0|1,0,1]=4 1882 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [0,1,1,0,0,0|1,0,1]=4 1883 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [0,1,1,0,0,0|1,0,1]=4 1884 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,1,1,0,0,0|1,0,1]=4 1885 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,1,1,0,0,0|0,0,2]=4 1886 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,1,1,0,0,0|0,0,2]=4 1887 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,1,1,0,0,0|0,0,2]=4 1888 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,1,1,0,0,0|0,0,2]=4 1889 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,1,1,0,0,0|0,0,2]=4 1890 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,1,1,0,0,0|0,0,2]=4 1891 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,1,1,0,0,0|0,0,2]=4 1892 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,1,1,0,0,0|0,0,2]=4 1893 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,1,1,0,0,0|0,0,2]=4 1894 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,1,1,0,0,0|0,0,2]=4 1895 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,1,1,0,0,0|0,0,2]=4 1896 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,1,1,0,0,0|0,0,2]=4 1897 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,1,1,0,0,0|0,0,2]=4 1898 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,1,1,0,0,0|0,0,2]=4 1899 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,1,1,0,0,0|0,0,2]=4 1900 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,1,1,0,0,0|0,0,2]=4 1901 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,1,1,0,0,0|0,0,2]=4 1902 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,1,1,0,0,0|0,0,2]=4 1903 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,1,1,0,0,0|0,0,2]=4 1904 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,1,1,0,0,0|0,0,2]=4 1905 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,1,1,0,0,0|0,0,2]=4 1906 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,1,1,0,0,0|0,0,2]=4 1907 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,1,1,0,0,0|0,0,2]=4 1908 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,1,1,0,0,0|0,0,2]=4 1909 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,1,1,0,0,0|0,0,2]=4 1910 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,1,1,0,0,0|0,0,2]=4 1911 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,1,1,0,0,0|1,0,1]=4 1912 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,1,1,0,0,0|1,0,1]=4 1913 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,1,1,0,0,0|1,0,1]=4 1914 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,1,1,0,0,0|1,0,1]=4 1915 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,1,0,0,0|0,0,1]=3 1916 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,1,0,0,0|1,0,1]=4 1917 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,1,1,0,0,0|1,0,1]=4 1918 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,1,1,0,0,0|1,0,1]=4 1919 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,1,0,0,0|1,0,0]=3 1920 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,1,0,0,0|1,0,0]=3 1921 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,1,1,0,0,0|2,0,0]=4 1922 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,1,1,0,0,0|2,0,0]=4 1923 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,1,1,0,0,0|2,0,0]=4 1924 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,1,1,0,0,0|2,0,0]=4 1925 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,1,1,0,0,0|2,0,0]=4 1926 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,1,0,0,0|1,0,1]=4 1927 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,1,0,0,0|1,0,1]=4 1928 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,1,0,0,0|1,0,1]=4 1929 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,1,0,0,0|0,0,1]=3 1930 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,1,1,0,0,0|1,0,1]=4 1931 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,1,1,0,0,0|1,0,1]=4 1932 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,1,1,0,0,0|1,0,1]=4 1933 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,1,0,0,0|1,0,0]=3 1934 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,1,0,0,0|1,0,0]=3 1935 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,1,0,0,0|1,0,0]=3 1936 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,1,0,0,0|1,0,1]=4 1937 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,1,0,0,0|1,0,1]=4 1938 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,1,0,0,0|1,0,1]=4 1939 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,1,0,0,0|2,0,0]=4 1940 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,1,0,0,0|1,0,1]=4 1941 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,1,0,0,0|2,0,0]=4 1942 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,1,0,0,0|2,0,0]=4 1943 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,1,0,0,0|1,0,1]=4 1944 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,1,0,0,0|2,0,0]=4 1945 B12R1.252 C=C(C)C=NNc1ccccc1 4a_100015195140_100000210575 [0,1,1,0,0,0|2,0,0]=4 1946 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,1,1,0,0,0|1,0,1]=4 1947 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,1,1,0,0,0|1,0,1]=4 1948 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,1,1,0,0,0|1,0,1]=4 1949 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,1,1,0,0,0|1,0,1]=4 1950 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,1,1,0,0,0|1,0,1]=4 1951 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,1,1,0,0,0|0,0,1]=3 1952 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,1,1,0,0,0|0,0,1]=3 1953 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,1,1,0,0,0|1,0,0]=3 1954 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,1,1,0,0,0|2,0,0]=4 1955 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,1,1,0,0,0|0,0,2]=4 1956 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,1,1,0,0,0|1,0,1]=4 1957 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,1,1,0,0,0|1,0,1]=4 1958 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,1,1,0,0,0|1,0,1]=4 1959 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,1,1,0,0,0|0,0,1]=3 1960 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,1,1,0,0,0|1,0,0]=3 1961 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,1,1,0,0,0|1,0,1]=4 1962 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,1,1,0,0,0|0,0,2]=4 1963 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,1,1,0,0,0|1,0,1]=4 1964 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,1,0,0,0|1,0,1]=4 1965 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,1,1,0,0,0|1,0,1]=4 1966 B12R1.112 C=C=Cc1ccc(cc1C=O)Br 271570a_100015277604_100010185651 [0,1,1,0,0,0|1,0,1]=4 1967 B12R1.112 C=C=Cc1ccc(cc1C=O)C 271570a_100015277604_100011551863 [0,1,1,0,0,0|1,0,1]=4 1968 B12R1.112 C=C=Cc1ccc(cc1C=O)Cl 271570a_100015277604_100010254386 [0,1,1,0,0,0|1,0,1]=4 1969 B12R1.112 C=C=Cc1ccc(cc1C=O)F 271570a_100015277604_100011218309 [0,1,1,0,0,0|1,0,1]=4 1970 B12R1.112 C=C=Cc1ccc(cc1C=O)O 271570a_100015277604_100000690577 [0,1,1,0,0,0|1,0,1]=4 1971 B12R1.112 C=C=Cc1ccc(cc1CC)Br 271570a_100015277604_100011216195 [0,1,1,0,0,0|0,0,2]=4 1972 B12R1.112 C=C=Cc1ccc(cc1CC)N 271570a_100015277604_100010109747 [0,1,1,0,0,0|0,0,2]=4 1973 B12R1.112 C=C=Cc1ccc(cc1NC)F 271570a_100015277604_100020633008 [0,1,1,0,0,0|1,0,1]=4 1974 B12R1.112 C=C=Cc1ccc(cc1OC)Br 271570a_100015277604_100010245111 [0,1,1,0,0,0|1,0,1]=4 1975 B12R1.112 C=C=Cc1ccc(cc1OC)C 271570a_100015277604_100010200004 [0,1,1,0,0,0|1,0,1]=4 1976 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [0,1,1,0,0,0|1,0,1]=4 1977 B12R1.112 C=C=Cc1ccc(cc1OC)F 271570a_100015277604_100000757151 [0,1,1,0,0,0|1,0,1]=4 1978 B12R1.112 C=C=Cc1ccc(cc1OC)N 271570a_100015277604_100000765947 [0,1,1,0,0,0|1,0,1]=4 1979 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,1,1,0,0,0|1,0,1]=4 1980 B12R1.112 C=C=Cc1ccc(cc1SC)C 271570a_100015277604_200010709736 [0,1,1,0,0,0|1,0,1]=4 1981 B12R1.112 CC=Cc1ccc(cc1C=O)Br 271570a_100016259895_100010185651 [0,1,1,0,0,0|1,0,1]=4 1982 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [0,1,1,0,0,0|1,0,1]=4 1983 B12R1.112 CC=Cc1ccc(cc1C=O)Cl 271570a_100016259895_100010254386 [0,1,1,0,0,0|1,0,1]=4 1984 B12R1.112 CC=Cc1ccc(cc1C=O)F 271570a_100016259895_100011218309 [0,1,1,0,0,0|1,0,1]=4 1985 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,1,1,0,0,0|1,0,1]=4 1986 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [0,1,1,0,0,0|0,0,2]=4 1987 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [0,1,1,0,0,0|0,0,2]=4 1988 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [0,1,1,0,0,0|1,0,1]=4 1989 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [0,1,1,0,0,0|1,0,1]=4 1990 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,1,1,0,0,0|1,0,1]=4 1991 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,1,1,0,0,0|1,0,1]=4 1992 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [0,1,1,0,0,0|1,0,1]=4 1993 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [0,1,1,0,0,0|1,0,1]=4 1994 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,1,1,0,0,0|1,0,1]=4 1995 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [0,1,1,0,0,0|1,0,1]=4 1996 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,1,1,0,0,0|0,0,2]=4 1997 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,1,1,0,0,0|0,0,2]=4 1998 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [0,1,1,0,0,0|1,0,1]=4 1999 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [0,1,1,0,0,0|1,0,1]=4 2000 B12R1.169 C=C=Cc1ccccc1CC=C 271570a_100015277604_100009828059 [0,1,1,0,0,0|0,0,2]=4 2001 B12R1.169 C=C=Cc1ccccc1CCN 271570a_100015277604_100000747383 [0,1,1,0,0,0|0,0,2]=4 2002 B12R1.169 C=C=Cc1ccccc1CCO 271570a_100015277604_100000731337 [0,1,1,0,0,0|0,0,2]=4 2003 B12R1.169 C=C=Cc1ccccc1CNC 271570a_100015277604_100000184654 [0,1,1,0,0,0|0,0,2]=4 2004 B12R1.169 C=C=Cc1ccccc1COC 271570a_100015277604_100011493684 [0,1,1,0,0,0|0,0,2]=4 2005 B12R1.169 C=C=Cc1ccccc1CSC 271570a_100015277604_100000148299 [0,1,1,0,0,0|0,0,2]=4 2006 B12R1.169 C=C=Cc1ccccc1NCC 271570a_100015277604_114873767003 [0,1,1,0,0,0|0,0,2]=4 2007 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [0,1,1,0,0,0|0,0,2]=4 2008 B12R1.169 C=C=Cc1ccccc1SCC 271570a_100015277604_100000230856 [0,1,1,0,0,0|0,0,2]=4 2009 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,1,1,0,0,0|0,0,1]=3 2010 B12R1.169 C=CCc1ccccc1CNC 207a_100102657272_100010619294 [0,1,1,0,0,0|0,0,2]=4 2011 B12R1.169 C=CCc1ccccc1CNC 26a_100102657272_100000211836 [0,1,1,0,0,0|0,0,2]=4 2012 B12R1.169 C=CCc1ccccc1CNC 270004a_106832991635_100010619294 [0,1,1,0,0,0|0,0,2]=4 2013 B12R1.169 C=CCc1ccccc1NCC 2230a_200138433279_100000210202 [0,1,1,0,0,0|0,0,2]=4 2014 B12R1.169 C=CCc1ccccc1NCC 34a_200138433279_100000210202 [0,1,1,0,0,0|0,0,2]=4 2015 B12R1.169 C=CCc1ccccc1NCF 34a_200138433279_100015361967 [0,1,1,0,0,0|1,0,1]=4 2016 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [0,1,1,0,0,0|0,0,2]=4 2017 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [0,1,1,0,0,0|0,0,2]=4 2018 B12R1.169 C=CCc1ccccc1OCF 34a_100000211836_100015361967 [0,1,1,0,0,0|1,0,1]=4 2019 B12R1.169 C=CCc1ccccc1OCF 7a_100000211836_100015361967 [0,1,1,0,0,0|1,0,1]=4 2020 B12R1.169 C=CCc1ccccc1SCC 62a_100000210202_100009828059 [0,1,1,0,0,0|0,0,2]=4 2021 B12R1.169 C=CCc1ccccc1SCC 62a_100009828059_100000210202 [0,1,1,0,0,0|0,0,2]=4 2022 B12R1.169 C=CCc1ccccc1SCF 62a_100009828059_100015361967 [0,1,1,0,0,0|1,0,1]=4 2023 B12R1.169 C=CCc1ccccc1SCF 62a_100015361967_100009828059 [0,1,1,0,0,0|1,0,1]=4 2024 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [0,1,1,0,0,0|0,0,2]=4 2025 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [0,1,1,0,0,0|0,0,2]=4 2026 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [0,1,1,0,0,0|0,0,2]=4 2027 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [0,1,1,0,0,0|0,0,2]=4 2028 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [0,1,1,0,0,0|0,0,2]=4 2029 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [0,1,1,0,0,0|0,0,2]=4 2030 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,1,1,0,0,0|0,0,2]=4 2031 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [0,1,1,0,0,0|0,0,2]=4 2032 B12R1.268 C=C=Cc1cc(ccc1C=O)Br 271570a_100015277604_100010146562 [0,1,1,0,0,0|1,0,1]=4 2033 B12R1.268 C=C=Cc1cc(ccc1C=O)C 271570a_100015277604_100000692596 [0,1,1,0,0,0|1,0,1]=4 2034 B12R1.268 C=C=Cc1cc(ccc1C=O)F 271570a_100015277604_100000752949 [0,1,1,0,0,0|1,0,1]=4 2035 B12R1.268 C=C=Cc1cc(ccc1C=O)O 271570a_100015277604_100011236494 [0,1,1,0,0,0|1,0,1]=4 2036 B12R1.268 C=C=Cc1cc(ccc1NC)C 271570a_100015277604_100000221369 [0,1,1,0,0,0|1,0,1]=4 2037 B12R1.268 C=C=Cc1cc(ccc1NC)F 271570a_100015277604_100011246292 [0,1,1,0,0,0|1,0,1]=4 2038 B12R1.268 C=C=Cc1cc(ccc1OC)Br 271570a_100015277604_100012351588 [0,1,1,0,0,0|1,0,1]=4 2039 B12R1.268 C=C=Cc1cc(ccc1OC)C 271570a_100015277604_100000186399 [0,1,1,0,0,0|1,0,1]=4 2040 B12R1.268 C=C=Cc1cc(ccc1OC)Cl 271570a_100015277604_100011215930 [0,1,1,0,0,0|1,0,1]=4 2041 B12R1.268 C=C=Cc1cc(ccc1OC)F 271570a_100015277604_100000171694 [0,1,1,0,0,0|1,0,1]=4 2042 B12R1.268 C=C=Cc1cc(ccc1OC)N 271570a_100015277604_100000187427 [0,1,1,0,0,0|1,0,1]=4 2043 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [0,1,1,0,0,0|1,0,1]=4 2044 B12R1.268 C=C=Cc1cc(ccc1SC)C 271570a_100015277604_200010201864 [0,1,1,0,0,0|1,0,1]=4 2045 B12R1.268 C=C=Cc1cc(ccc1SC)F 271570a_100015277604_100009817003 [0,1,1,0,0,0|1,0,1]=4 2046 B12R1.268 CC=Cc1cc(ccc1C=O)Br 271570a_100016259895_100010146562 [0,1,1,0,0,0|1,0,1]=4 2047 B12R1.268 CC=Cc1cc(ccc1C=O)C 271570a_100016259895_100000692596 [0,1,1,0,0,0|1,0,1]=4 2048 B12R1.268 CC=Cc1cc(ccc1C=O)F 271570a_100016259895_100000752949 [0,1,1,0,0,0|1,0,1]=4 2049 B12R1.268 CC=Cc1cc(ccc1C=O)O 271570a_100016259895_100011236494 [0,1,1,0,0,0|1,0,1]=4 2050 B12R1.268 CC=Cc1cc(ccc1NC)C 271570a_100016259895_100000221369 [0,1,1,0,0,0|1,0,1]=4 2051 B12R1.268 CC=Cc1cc(ccc1NC)F 271570a_100016259895_100011246292 [0,1,1,0,0,0|1,0,1]=4 2052 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [0,1,1,0,0,0|1,0,1]=4 2053 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [0,1,1,0,0,0|1,0,1]=4 2054 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [0,1,1,0,0,0|1,0,1]=4 2055 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [0,1,1,0,0,0|1,0,1]=4 2056 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [0,1,1,0,0,0|1,0,1]=4 2057 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [0,1,1,0,0,0|1,0,1]=4 2058 B12R1.268 CC=Cc1cc(ccc1SC)C 271570a_100016259895_200010201864 [0,1,1,0,0,0|1,0,1]=4 2059 B12R1.268 CC=Cc1cc(ccc1SC)F 271570a_100016259895_100009817003 [0,1,1,0,0,0|1,0,1]=4 2060 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [0,1,1,0,0,0|0,0,1]=3 2061 B12R1.283 C=C=Cc1ccccc1C(=O)N 271570a_100015277604_100000162227 [0,1,1,0,0,0|1,0,1]=4 2062 B12R1.283 C=C=Cc1ccccc1C(C)C 271570a_100015277604_100011218076 [0,1,1,0,0,0|0,0,2]=4 2063 B12R1.283 C=C=Cc1ccccc1C(C)N 271570a_100015277604_100000181357 [0,1,1,0,0,0|0,0,2]=4 2064 B12R1.283 C=C=Cc1ccccc1C(C)O 271570a_100015277604_100000702211 [0,1,1,0,0,0|0,0,2]=4 2065 B12R1.283 C=C=Cc1ccccc1N(C)C 271570a_100015277604_100011290883 [0,1,1,0,0,0|1,0,1]=4 2066 B12R1.283 C=C=Cc1ccccc1S(=O)C 271570a_100015277604_100000734199 [0,1,1,0,0,0|1,0,1]=4 2067 B12R1.283 C=C=Cc1cccnc1C(=O)C 271570a_100015277604_100012348690 [0,1,1,0,0,0|1,0,1]=4 2068 B12R1.283 C=C=Cc1ccncc1C(=O)C 271570a_100015277604_100160469449 [0,1,1,0,0,0|1,0,1]=4 2069 B12R1.283 C=C=Cc1cnccc1C(=O)C 271570a_100015277604_100009993184 [0,1,1,0,0,0|1,0,1]=4 2070 B12R1.283 C=C=Cc1ncccc1C(=O)C 271570a_100015277604_100000753718 [0,1,1,0,0,0|1,0,1]=4 2071 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [0,1,1,0,0,0|0,0,1]=3 2072 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,1,1,0,0,0|0,0,1]=3 2073 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,1,1,0,0,0|1,0,1]=4 2074 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,1,1,0,0,0|0,0,2]=4 2075 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [0,1,1,0,0,0|0,0,2]=4 2076 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [0,1,1,0,0,0|0,0,2]=4 2077 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [0,1,1,0,0,0|1,0,1]=4 2078 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [0,1,1,0,0,0|1,0,1]=4 2079 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,1,1,0,0,0|1,0,1]=4 2080 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [0,1,1,0,0,0|1,0,1]=4 2081 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [0,1,1,0,0,0|1,0,1]=4 2082 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,1,1,0,0,0|1,0,1]=4 2083 B12R1.1112 C=C=Cc1c(cccc1C=O)F 271570a_100015277604_100011998484 [0,1,1,0,0,0|1,0,1]=4 2084 B12R1.1112 C=C=Cc1c(cccc1C=O)O 271570a_100015277604_100009816417 [0,1,1,0,0,0|1,0,1]=4 2085 B12R1.1112 C=C=Cc1c(cccc1CC)C 271570a_100015277604_100000036235 [0,1,1,0,0,0|0,0,2]=4 2086 B12R1.1112 C=C=Cc1c(cccc1OC)Br 271570a_100015277604_100010131421 [0,1,1,0,0,0|1,0,1]=4 2087 B12R1.1112 C=C=Cc1c(cccc1OC)F 271570a_100015277604_100000041735 [0,1,1,0,0,0|1,0,1]=4 2088 B12R1.1112 C=C=Cc1c(cccc1OC)N 271570a_100015277604_100000703447 [0,1,1,0,0,0|1,0,1]=4 2089 B12R1.1112 C=C=Cc1c(cccc1OC)O 271570a_100015277604_100010202623 [0,1,1,0,0,0|1,0,1]=4 2090 B12R1.1112 CC=Cc1c(cccc1C=O)F 271570a_100016259895_100011998484 [0,1,1,0,0,0|1,0,1]=4 2091 B12R1.1112 CC=Cc1c(cccc1C=O)O 271570a_100016259895_100009816417 [0,1,1,0,0,0|1,0,1]=4 2092 B12R1.1112 CC=Cc1c(cccc1CC)C 271570a_100016259895_100000036235 [0,1,1,0,0,0|0,0,2]=4 2093 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [0,1,1,0,0,0|1,0,1]=4 2094 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [0,1,1,0,0,0|1,0,1]=4 2095 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [0,1,1,0,0,0|1,0,1]=4 2096 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [0,1,1,0,0,0|1,0,1]=4 2097 B12R1.46 C=C(C)c1cc(ccc1C#N)Br 271570a_100000694244_100010214477 [0,1,1,0,0,0|1,0,1]=4 2098 B12R1.46 C=C(C)c1cc(ccc1C#N)C 271570a_100000694244_100000693804 [0,1,1,0,0,0|1,0,1]=4 2099 B12R1.46 C=C(C)c1cc(ccc1C#N)Cl 271570a_100000694244_100012355178 [0,1,1,0,0,0|1,0,1]=4 2100 B12R1.46 C=C(C)c1cc(ccc1C#N)F 271570a_100000694244_100000747196 [0,1,1,0,0,0|1,0,1]=4 2101 B12R1.46 C=C(C)c1cc(ccc1C#N)N 271570a_100000694244_100000689153 [0,1,1,0,0,0|1,0,1]=4 2102 B12R1.46 C=C(C)c1cc(ccc1C#N)O 271570a_100000694244_100012184851 [0,1,1,0,0,0|1,0,1]=4 2103 B12R1.46 C=C(C)c1cc(ccc1C=O)Br 271570a_100000694244_100010146562 [0,1,1,0,0,0|1,0,0]=3 2104 B12R1.46 C=C(C)c1cc(ccc1C=O)C 271570a_100000694244_100000692596 [0,1,1,0,0,0|1,0,0]=3 2105 B12R1.46 C=C(C)c1cc(ccc1C=O)F 271570a_100000694244_100000752949 [0,1,1,0,0,0|1,0,0]=3 2106 B12R1.46 C=C(C)c1cc(ccc1C=O)O 271570a_100000694244_100011236494 [0,1,1,0,0,0|1,0,0]=3 2107 B12R1.46 C=C(C)c1cc(ccc1CN)F 271570a_100000694244_100000708791 [0,1,1,0,0,0|1,0,1]=4 2108 B12R1.46 C=C(C)c1cc(ccc1CO)Br 271570a_100000694244_100010146605 [0,1,1,0,0,0|1,0,1]=4 2109 B12R1.46 C=C(C)c1cc(ccc1CO)Cl 271570a_100000694244_100000722340 [0,1,1,0,0,0|1,0,1]=4 2110 B12R1.46 C=C(C)c1cc(ccc1CO)F 271570a_100000694244_100000744086 [0,1,1,0,0,0|1,0,1]=4 2111 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,1,1,0,0,0|1,0,1]=4 2112 B12R1.46 C=C(C)c1cc(ccc1NC)C 271570a_100000694244_100000221369 [0,1,1,0,0,0|1,0,1]=4 2113 B12R1.46 C=C(C)c1cc(ccc1NC)F 271570a_100000694244_100011246292 [0,1,1,0,0,0|1,0,1]=4 2114 B12R1.46 C=C(C)c1cc(ccc1NC)F 34a_100009961556_200000210301 [0,1,1,0,0,0|1,0,1]=4 2115 B12R1.46 C=C(C)c1cc(ccc1NN)C 271570a_100000694244_100016996181 [0,1,1,0,0,0|2,0,0]=4 2116 B12R1.46 C=C(C)c1cc(ccc1N[13CH3])F 34a_100009961556_200025704644 [0,1,1,0,0,0|1,0,1]=4 2117 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,1,1,0,0,0|1,0,1]=4 2118 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,1,1,0,0,0|1,0,1]=4 2119 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,1,1,0,0,0|1,0,1]=4 2120 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,1,1,0,0,0|1,0,1]=4 2121 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,1,1,0,0,0|1,0,1]=4 2122 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,1,1,0,0,0|1,0,1]=4 2123 B12R1.46 C=C(C)c1cc(ccc1SC)C 271570a_100000694244_200010201864 [0,1,1,0,0,0|1,0,1]=4 2124 B12R1.46 C=C(C)c1cc(ccc1SC)F 271570a_100000694244_100009817003 [0,1,1,0,0,0|1,0,1]=4 2125 B12R1.46 C=C(C)c1cc(ncc1C=O)F 271570a_100000694244_100009862493 [0,1,1,0,0,0|2,0,0]=4 2126 B12R1.46 C=C(C)c1nc(ccc1C=O)C 271570a_100000694244_100000085379 [0,1,1,0,0,0|2,0,0]=4 2127 B12R1.46 C=C(C)c1nc(ccc1C=O)F 271570a_100000694244_100009846357 [0,1,1,0,0,0|2,0,0]=4 2128 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [0,1,1,0,0,0|1,0,0]=3 2129 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,1,1,0,0,0|1,0,0]=3 2130 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [0,1,1,0,0,0|1,0,0]=3 2131 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [0,1,1,0,0,0|1,0,0]=3 2132 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [0,1,1,0,0,0|2,0,0]=4 2133 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,1,1,0,0,0|2,0,0]=4 2134 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [0,1,1,0,0,0|2,0,0]=4 2135 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [0,1,1,0,0,0|2,0,0]=4 2136 B12R1.46 C=Cc1ccc(cc1C(C)C)Br 271570a_100011290941_100010244561 [0,1,1,0,0,0|0,0,2]=4 2137 B12R1.46 C=Cc1ccc(cc1C(C)N)F 271570a_100011290941_100012343209 [0,1,1,0,0,0|1,0,1]=4 2138 B12R1.46 C=Cc1ccc(cc1N(C)C)O 271570a_100011290941_200010083878 [0,1,1,0,0,0|1,0,1]=4 2139 B12R1.46 C=Cc1ccc(cc1[C@H](C)O)F 271570a_100011290941_100134768474 [0,1,1,0,0,0|1,0,1]=4 2140 B12R1.46 C=Cc1ncc(cc1C(=O)C)F 271570a_100011290941_100000118324 [0,1,1,0,0,0|2,0,0]=4 2141 B12R1.57 C=C(C)c1ccc(cc1C#N)Br 271570a_100000694244_100011219714 [0,1,1,0,0,0|1,0,1]=4 2142 B12R1.57 C=C(C)c1ccc(cc1C#N)C 271570a_100000694244_100011935190 [0,1,1,0,0,0|1,0,1]=4 2143 B12R1.57 C=C(C)c1ccc(cc1C#N)Cl 271570a_100000694244_200011356825 [0,1,1,0,0,0|1,0,1]=4 2144 B12R1.57 C=C(C)c1ccc(cc1C#N)F 271570a_100000694244_100000747550 [0,1,1,0,0,0|1,0,1]=4 2145 B12R1.57 C=C(C)c1ccc(cc1C#N)N 271570a_100000694244_100011934039 [0,1,1,0,0,0|1,0,1]=4 2146 B12R1.57 C=C(C)c1ccc(cc1C#N)O 271570a_100000694244_100009818209 [0,1,1,0,0,0|1,0,1]=4 2147 B12R1.57 C=C(C)c1ccc(cc1C=O)Br 271570a_100000694244_100010185651 [0,1,1,0,0,0|1,0,0]=3 2148 B12R1.57 C=C(C)c1ccc(cc1C=O)C 271570a_100000694244_100011551863 [0,1,1,0,0,0|1,0,0]=3 2149 B12R1.57 C=C(C)c1ccc(cc1C=O)Cl 271570a_100000694244_100010254386 [0,1,1,0,0,0|1,0,0]=3 2150 B12R1.57 C=C(C)c1ccc(cc1C=O)F 271570a_100000694244_100011218309 [0,1,1,0,0,0|1,0,0]=3 2151 B12R1.57 C=C(C)c1ccc(cc1C=O)O 271570a_100000694244_100000690577 [0,1,1,0,0,0|1,0,0]=3 2152 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [0,1,1,0,0,0|0,0,2]=4 2153 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,1,1,0,0,0|0,0,2]=4 2154 B12R1.57 C=C(C)c1ccc(cc1CN)F 271570a_100000694244_100000742738 [0,1,1,0,0,0|1,0,1]=4 2155 B12R1.57 C=C(C)c1ccc(cc1CO)Br 271570a_100000694244_100011356890 [0,1,1,0,0,0|1,0,1]=4 2156 B12R1.57 C=C(C)c1ccc(cc1CO)C 271570a_100000694244_100012361352 [0,1,1,0,0,0|1,0,1]=4 2157 B12R1.57 C=C(C)c1ccc(cc1CO)F 271570a_100000694244_100011217561 [0,1,1,0,0,0|1,0,1]=4 2158 B12R1.57 C=C(C)c1ccc(cc1CO)N 271570a_100000694244_100012347228 [0,1,1,0,0,0|1,0,1]=4 2159 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,1,1,0,0,0|1,0,1]=4 2160 B12R1.57 C=C(C)c1ccc(cc1NC)F 271570a_100000694244_100020633008 [0,1,1,0,0,0|1,0,1]=4 2161 B12R1.57 C=C(C)c1ccc(cc1NN)F 271570a_100000694244_100012362518 [0,1,1,0,0,0|2,0,0]=4 2162 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,1,1,0,0,0|1,0,1]=4 2163 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,1,1,0,0,0|1,0,1]=4 2164 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,1,1,0,0,0|1,0,1]=4 2165 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,1,1,0,0,0|1,0,1]=4 2166 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,1,1,0,0,0|1,0,1]=4 2167 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,1,1,0,0,0|1,0,1]=4 2168 B12R1.57 C=C(C)c1ccc(cc1SC)C 271570a_100000694244_200010709736 [0,1,1,0,0,0|1,0,1]=4 2169 B12R1.57 C=C(C)c1ccc(nc1C=O)C 271570a_100000694244_100010173661 [0,1,1,0,0,0|2,0,0]=4 2170 B12R1.57 C=C(C)c1ncc(cc1C=O)C 271570a_100000694244_100000050350 [0,1,1,0,0,0|2,0,0]=4 2171 B12R1.57 C=C(C)c1ncc(cc1C=O)F 271570a_100000694244_100000079965 [0,1,1,0,0,0|2,0,0]=4 2172 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,1,1,0,0,0|1,0,0]=3 2173 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [0,1,1,0,0,0|1,0,0]=3 2174 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,1,1,0,0,0|1,0,0]=3 2175 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [0,1,1,0,0,0|2,0,0]=4 2176 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [0,1,1,0,0,0|2,0,0]=4 2177 B12R1.57 C=Cc1cc(ccc1N(C)C)C 271570a_100011290941_100012353700 [0,1,1,0,0,0|1,0,1]=4 2178 B12R1.57 C=Cc1cc(ccc1N(C)C)F 271570a_100011290941_100012349029 [0,1,1,0,0,0|1,0,1]=4 2179 B12R1.57 C=Cc1cc(ccc1N(C)C)N 271570a_100011290941_100011534197 [0,1,1,0,0,0|1,0,1]=4 2180 B12R1.57 C=Cc1cc(ccc1[C@@H](C)N)F 271570a_100011290941_100025704064 [0,1,1,0,0,0|1,0,1]=4 2181 B12R1.76 C=Cc1ccccc1C(C)(C)C 271570a_100011290941_100012339570 [0,1,1,0,0,0|0,0,2]=4 2182 B12R1.76 C=Cc1ccccc1C(C)(C)N 271570a_100011290941_100020606264 [0,1,1,0,0,0|0,0,2]=4 2183 B12R1.76 C=Cc1ccccc1C(C)(C)O 271570a_100011290941_100011346021 [0,1,1,0,0,0|0,0,2]=4 2184 B12R1.76 C=Cc1ccccc1C(C)(F)F 271570a_100011290941_100010220483 [0,1,1,0,0,0|1,0,1]=4 2185 B12R1.76 C=Cc1ccccc1S(=O)(=O)C 271570a_100011290941_100000751929 [0,1,1,0,0,0|2,0,0]=4 2186 B12R1.87 C=C(C)c1cccc(c1C#N)Br 271570a_100000694244_100010071968 [0,1,1,0,0,0|1,0,1]=4 2187 B12R1.87 C=C(C)c1cccc(c1C#N)C 271570a_100000694244_100009819585 [0,1,1,0,0,0|1,0,1]=4 2188 B12R1.87 C=C(C)c1cccc(c1C#N)Cl 271570a_100000694244_200000049503 [0,1,1,0,0,0|1,0,1]=4 2189 B12R1.87 C=C(C)c1cccc(c1C#N)F 271570a_100000694244_100000699744 [0,1,1,0,0,0|1,0,1]=4 2190 B12R1.87 C=C(C)c1cccc(c1C#N)N 271570a_100000694244_100011935054 [0,1,1,0,0,0|1,0,1]=4 2191 B12R1.87 C=C(C)c1cccc(c1C#N)O 271570a_100000694244_100012180507 [0,1,1,0,0,0|1,0,1]=4 2192 B12R1.87 C=C(C)c1cccc(c1C=O)C 271570a_100000694244_100000041122 [0,1,1,0,0,0|1,0,0]=3 2193 B12R1.87 C=C(C)c1cccc(c1C=O)Cl 271570a_100000694244_100010147682 [0,1,1,0,0,0|1,0,0]=3 2194 B12R1.87 C=C(C)c1cccc(c1C=O)F 271570a_100000694244_100000210083 [0,1,1,0,0,0|1,0,0]=3 2195 B12R1.87 C=C(C)c1cccc(c1C=O)N 271570a_100000694244_100010232536 [0,1,1,0,0,0|1,0,0]=3 2196 B12R1.87 C=C(C)c1cccc(c1C=O)O 271570a_100000694244_100009814793 [0,1,1,0,0,0|1,0,0]=3 2197 B12R1.87 C=C(C)c1cccc(c1CN)F 271570a_100000694244_100012349121 [0,1,1,0,0,0|1,0,1]=4 2198 B12R1.87 C=C(C)c1cccc(c1CO)F 271570a_100000694244_100012355691 [0,1,1,0,0,0|1,0,1]=4 2199 B12R1.87 C=C(C)c1cccc(c1CO)N 271570a_100000694244_100000747656 [0,1,1,0,0,0|1,0,1]=4 2200 B12R1.87 C=C(C)c1cccc(c1NC)N 271570a_100000694244_100010510394 [0,1,1,0,0,0|1,0,1]=4 2201 B12R1.87 C=C(C)c1cccc(c1NN)F 271570a_100000694244_100016994982 [0,1,1,0,0,0|2,0,0]=4 2202 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,1,1,0,0,0|1,0,1]=4 2203 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,1,1,0,0,0|1,0,1]=4 2204 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,1,1,0,0,0|1,0,1]=4 2205 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,1,1,0,0,0|1,0,1]=4 2206 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,1,1,0,0,0|1,0,1]=4 2207 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,1,1,0,0,0|1,0,1]=4 2208 B12R1.87 C=C(C)c1cccc(c1SC)F 271570a_100000694244_200010709249 [0,1,1,0,0,0|1,0,1]=4 2209 B12R1.87 C=C(C)c1ccnc(c1C=O)Cl 271570a_100000694244_100000047006 [0,1,1,0,0,0|2,0,0]=4 2210 B12R1.87 C=C(C)c1ccnc(c1C=O)F 271570a_100000694244_100009828249 [0,1,1,0,0,0|2,0,0]=4 2211 B12R1.87 C=C(C)c1ccnc(c1C=O)N 271570a_100000694244_100009843235 [0,1,1,0,0,0|2,0,0]=4 2212 B12R1.87 C=C(C)c1cncc(c1C=O)F 271570a_100000694244_100010064882 [0,1,1,0,0,0|2,0,0]=4 2213 B12R1.87 C=C(C)c1nccc(c1C=O)O 271570a_100000694244_200010729673 [0,1,1,0,0,0|2,0,0]=4 2214 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [0,1,1,0,0,0|1,0,0]=3 2215 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,1,1,0,0,0|2,0,0]=4 2216 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,1,1,0,0,0|2,0,0]=4 2217 B12R1.261 C=C(C)c1ccccc1B(O)O 271570a_100000694244_100000693059 [0,1,1,0,0,0|2,0,0]=4 2218 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,1,1,0,0,0|0,0,1]=3 2219 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,1,1,0,0,0|1,0,0]=3 2220 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,1,1,0,0,0|0,0,2]=4 2221 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [0,1,1,0,0,0|0,0,2]=4 2222 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,1,1,0,0,0|0,0,2]=4 2223 B12R1.261 C=C(C)c1ccccc1C(F)F 271570a_100000694244_100010169824 [0,1,1,0,0,0|1,0,1]=4 2224 B12R1.261 C=C(C)c1ccccc1N(C)C 271570a_100000694244_100011290883 [0,1,1,0,0,0|1,0,1]=4 2225 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [0,1,1,0,0,0|1,0,1]=4 2226 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,1,1,0,0,0|1,0,1]=4 2227 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,1,1,0,0,0|2,0,0]=4 2228 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [0,1,1,0,0,0|1,0,1]=4 2229 B12R1.261 C=C(C)c1ccncc1C(=O)N 271570a_100000694244_100000697804 [0,1,1,0,0,0|2,0,0]=4 2230 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [0,1,1,0,0,0|1,0,1]=4 2231 B12R1.261 C=C(C)c1cnccc1C(=O)N 271570a_100000694244_100010205435 [0,1,1,0,0,0|2,0,0]=4 2232 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,1,1,0,0,0|1,0,1]=4 2233 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,1,1,0,0,0|2,0,0]=4 2234 B12R1.437 C=C(C)c1c(cccc1C#N)Br 271570a_100000694244_100000703783 [0,1,1,0,0,0|1,0,1]=4 2235 B12R1.437 C=C(C)c1c(cccc1C#N)C 271570a_100000694244_100011934862 [0,1,1,0,0,0|1,0,1]=4 2236 B12R1.437 C=C(C)c1c(cccc1C#N)Cl 271570a_100000694244_100010134094 [0,1,1,0,0,0|1,0,1]=4 2237 B12R1.437 C=C(C)c1c(cccc1C#N)F 271570a_100000694244_100011219237 [0,1,1,0,0,0|1,0,1]=4 2238 B12R1.437 C=C(C)c1c(cccc1C#N)N 271570a_100000694244_100009877206 [0,1,1,0,0,0|1,0,1]=4 2239 B12R1.437 C=C(C)c1c(cccc1C#N)O 271570a_100000694244_100009818990 [0,1,1,0,0,0|1,0,1]=4 2240 B12R1.437 C=C(C)c1c(cccc1C=O)F 271570a_100000694244_100011998484 [0,1,1,0,0,0|1,0,0]=3 2241 B12R1.437 C=C(C)c1c(cccc1C=O)O 271570a_100000694244_100009816417 [0,1,1,0,0,0|1,0,0]=3 2242 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [0,1,1,0,0,0|0,0,2]=4 2243 B12R1.437 C=C(C)c1c(cccc1CO)Br 271570a_100000694244_100010146604 [0,1,1,0,0,0|1,0,1]=4 2244 B12R1.437 C=C(C)c1c(cccc1CO)C 271570a_100000694244_100011659289 [0,1,1,0,0,0|1,0,1]=4 2245 B12R1.437 C=C(C)c1c(cccc1CO)F 271570a_100000694244_100000692438 [0,1,1,0,0,0|1,0,1]=4 2246 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [0,1,1,0,0,0|1,0,1]=4 2247 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [0,1,1,0,0,0|1,0,1]=4 2248 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [0,1,1,0,0,0|1,0,1]=4 2249 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [0,1,1,0,0,0|1,0,1]=4 2250 B12R1.437 C=C(C)c1c(ccnc1F)C=O 271570a_100000694244_100009856171 [0,1,1,0,0,0|2,0,0]=4 2251 B12R1.437 C=Cc1cccc(c1C(=O)C)F 271570a_100011290941_100012351873 [0,1,1,0,0,0|1,0,0]=3 2252 B12R1.437 C=Cc1cccc(c1C(=O)C)O 271570a_100011290941_100010174959 [0,1,1,0,0,0|1,0,0]=3 2253 B12R1.437 C=Cc1cccc(c1C(=O)N)Cl 271570a_100011290941_100010147686 [0,1,1,0,0,0|2,0,0]=4 2254 B12R1.437 C=Cc1cccc(c1C(=O)N)F 271570a_100011290941_100011219063 [0,1,1,0,0,0|2,0,0]=4 2255 B12R1.437 C=Cc1cccc(c1C(C)O)F 271570a_100011290941_100013085324 [0,1,1,0,0,0|1,0,1]=4 2256 B12R1.437 C=Cc1nccc(c1C(=O)C)N 271570a_100011290941_200010729368 [0,1,1,0,0,0|2,0,0]=4 2257 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,1,1,0,0,0|1,0,1]=4 2258 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,1,1,0,0,0|0,0,2]=4 2259 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,1,1,0,0,0|1,0,1]=4 2260 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,1,1,0,0,0|1,0,1]=4 2261 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,1,1,0,0,0|1,0,1]=4 2262 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,1,0,0,0|1,0,1]=4 2263 B12R1.234 C=Cc1cc(cc(c1C#N)C)F 271570a_100011290941_100010186299 [0,1,1,0,0,0|1,0,1]=4 2264 B12R1.234 C=Cc1cc(cc(c1C=O)C)F 271570a_100011290941_200015781908 [0,1,1,0,0,0|1,0,0]=3 2265 B12R1.234 C=Cc1cc(cc(c1C=O)F)C 271570a_100011290941_100010341274 [0,1,1,0,0,0|2,0,0]=4 2266 B12R1.234 C=Cc1cc(cc(c1C=O)F)F 271570a_100011290941_100010009843 [0,1,1,0,0,0|2,0,0]=4 2267 B12R1.234 C=Cc1cc(cc(c1OC)C)N 271570a_100011290941_100010071304 [0,1,1,0,0,0|1,0,1]=4 2268 B12R1.652 C=Cc1c(ccc(c1C)F)C#N 271570a_100011290941_100009859896 [0,1,1,0,0,0|1,0,1]=4 2269 B12R1.652 C=Cc1c(ccc(c1C)F)C=O 271570a_100011290941_100009872231 [0,1,1,0,0,0|1,0,0]=3 2270 B12R1.652 C=Cc1c(ccc(c1F)F)C=O 271570a_100011290941_100015087033 [0,1,1,0,0,0|2,0,0]=4 2271 B12R1.652 C=Cc1ccc(c(c1C=O)F)C 271570a_100011290941_100000039034 [0,1,1,0,0,0|2,0,0]=4 2272 B12R1.652 C=Cc1ccc(c(c1C=O)F)F 271570a_100011290941_100009814791 [0,1,1,0,0,0|2,0,0]=4 2273 B12R1.741 C=Cc1c(ccc(c1C#N)F)C 271570a_100011290941_100000062000 [0,1,1,0,0,0|1,0,1]=4 2274 B12R1.741 C=Cc1c(ccc(c1C=O)F)C 271570a_100011290941_100000033498 [0,1,1,0,0,0|1,0,0]=3 2275 B12R1.741 C=Cc1c(ccc(c1C=O)F)F 271570a_100011290941_100000034233 [0,1,1,0,0,0|2,0,0]=4 2276 B12R1.741 C=Cc1c(ccc(c1C=O)O)F 271570a_100011290941_100010762561 [0,1,1,0,0,0|2,0,0]=4 2277 B12R1.741 C=Cc1c(ccc(c1C=O)O)O 271570a_100011290941_100010184888 [0,1,1,0,0,0|2,0,0]=4 2278 B12R1.741 C=Cc1c(ccc(c1CO)F)C 271570a_100011290941_100010365568 [0,1,1,0,0,0|1,0,1]=4 2279 B12R1.1879 C=Cc1c(cccc1C=O)C#N 271570a_100011290941_100010133059 [0,1,1,0,0,0|1,0,1]=4 2280 B12R1.1879 C=Cc1c(cccc1CC)CC 271570a_100011290941_100010212195 [0,1,1,0,0,0|0,0,2]=4 2281 B12R1.1879 C=Cc1c(cccc1OC)CO 271570a_100011290941_100010236476 [0,1,1,0,0,0|1,0,1]=4 2282 B12R1.1879 C=Cc1c(cccc1OC)OC 271570a_100011290941_100000050062 [0,1,1,0,0,0|1,0,1]=4 2283 B12R1.1879 C=Cc1cccc(c1C#N)NC 271570a_100011290941_200012769483 [0,1,1,0,0,0|1,0,1]=4 2284 B12R1.1879 C=Cc1cccc(c1C#N)OC 271570a_100011290941_100012356440 [0,1,1,0,0,0|1,0,1]=4 2285 B12R1.1879 C=Cc1cccc(c1C=O)OC 271570a_100011290941_100009814803 [0,1,1,0,0,0|1,0,0]=3 2286 B12R1.1879 C=Cc1cccc(c1OC)CO 271570a_100011290941_100000704359 [0,1,1,0,0,0|1,0,1]=4 2287 B12R1.1879 C=Cc1cccc(c1OC)OC 271570a_100011290941_100009815961 [0,1,1,0,0,0|1,0,1]=4 2288 B12R1.1879 C=Cc1ccnc(c1C=O)OC 271570a_100011290941_100010160771 [0,1,1,0,0,0|2,0,0]=4 2289 B12R1.1879 C=Cc1nccc(c1C=O)OC 271570a_100011290941_100009860067 [0,1,1,0,0,0|2,0,0]=4 2290 B12R1.1009 CC(=Cc1c(cccc1C)C)C 271570a_100102525489_100000033847 [0,1,1,0,0,0|0,0,2]=4 2291 B12R1.1009 CC(=Cc1c(cccc1Cl)C)C 271570a_100102525489_100000043165 [0,1,1,0,0,0|1,0,1]=4 2292 B12R1.1009 CC(=Cc1c(cccc1F)C)C 271570a_100102525489_100012349962 [0,1,1,0,0,0|1,0,1]=4 2293 B12R1.1009 CC(=Cc1c(cccc1N)C)C 271570a_100102525489_100000684715 [0,1,1,0,0,0|1,0,1]=4 2294 B12R1.1009 CC(=Cc1c(cccc1O)C)C 271570a_100102525489_100000686692 [0,1,1,0,0,0|1,0,1]=4 2295 B12R1.1095 C=C=Cc1c(cc(cc1Br)C)C 271570a_100015277604_200012353697 [0,1,1,0,0,0|1,0,1]=4 2296 B12R1.1095 C=C=Cc1c(cc(cc1Br)F)C 271570a_100015277604_100010208209 [0,1,1,0,0,0|1,0,1]=4 2297 B12R1.1095 C=C=Cc1c(cc(cc1C)Br)C 271570a_100015277604_100009814048 [0,1,1,0,0,0|0,0,2]=4 2298 B12R1.1095 C=C=Cc1c(cc(cc1C)C)C 271570a_100015277604_100011204320 [0,1,1,0,0,0|0,0,2]=4 2299 B12R1.1095 C=C=Cc1c(cc(cc1C)Cl)C 271570a_100015277604_100010244930 [0,1,1,0,0,0|0,0,2]=4 2300 B12R1.1095 C=C=Cc1c(cc(cc1C)F)C 271570a_100015277604_100012356666 [0,1,1,0,0,0|0,0,2]=4 2301 B12R1.1095 C=C=Cc1c(cc(cc1C)O)C 271570a_100015277604_100000243743 [0,1,1,0,0,0|0,0,2]=4 2302 B12R1.1095 C=C=Cc1c(cc(cc1Cl)Cl)C 271570a_100015277604_200000035511 [0,1,1,0,0,0|1,0,1]=4 2303 B12R1.1095 C=C=Cc1c(cc(cc1Cl)F)C 271570a_100015277604_100010079234 [0,1,1,0,0,0|1,0,1]=4 2304 B12R1.1095 C=C=Cc1c(cc(cc1N)Cl)C 271570a_100015277604_100000698757 [0,1,1,0,0,0|1,0,1]=4 2305 B12R1.1095 C=C=Cc1c(cc(cc1O)C)C 271570a_100015277604_100010342985 [0,1,1,0,0,0|1,0,1]=4 2306 B12R1.1095 C=C=Cc1c(cc(cc1O)Cl)C 271570a_100015277604_100010254216 [0,1,1,0,0,0|1,0,1]=4 2307 B12R1.1095 CC=Cc1c(cc(cc1Br)C)C 271570a_100016259895_200012353697 [0,1,1,0,0,0|1,0,1]=4 2308 B12R1.1095 CC=Cc1c(cc(cc1Br)F)C 271570a_100016259895_100010208209 [0,1,1,0,0,0|1,0,1]=4 2309 B12R1.1095 CC=Cc1c(cc(cc1C)Br)C 271570a_100016259895_100009814048 [0,1,1,0,0,0|0,0,2]=4 2310 B12R1.1095 CC=Cc1c(cc(cc1C)C)C 271570a_100016259895_100011204320 [0,1,1,0,0,0|0,0,2]=4 2311 B12R1.1095 CC=Cc1c(cc(cc1C)Cl)C 271570a_100016259895_100010244930 [0,1,1,0,0,0|0,0,2]=4 2312 B12R1.1095 CC=Cc1c(cc(cc1C)F)C 271570a_100016259895_100012356666 [0,1,1,0,0,0|0,0,2]=4 2313 B12R1.1095 CC=Cc1c(cc(cc1C)O)C 271570a_100016259895_100000243743 [0,1,1,0,0,0|0,0,2]=4 2314 B12R1.1095 CC=Cc1c(cc(cc1Cl)Cl)C 271570a_100016259895_200000035511 [0,1,1,0,0,0|1,0,1]=4 2315 B12R1.1095 CC=Cc1c(cc(cc1Cl)F)C 271570a_100016259895_100010079234 [0,1,1,0,0,0|1,0,1]=4 2316 B12R1.1095 CC=Cc1c(cc(cc1N)Cl)C 271570a_100016259895_100000698757 [0,1,1,0,0,0|1,0,1]=4 2317 B12R1.1095 CC=Cc1c(cc(cc1O)C)C 271570a_100016259895_100010342985 [0,1,1,0,0,0|1,0,1]=4 2318 B12R1.1095 CC=Cc1c(cc(cc1O)Cl)C 271570a_100016259895_100010254216 [0,1,1,0,0,0|1,0,1]=4 2319 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,1,0,0,0,0|1,0,0]=3 2320 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,1,0,0,0,0|0,0,0]=2 2321 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,1,0,0,0,0|1,0,0]=3 2322 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,1,0,0,0,0|1,0,0]=3 2323 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,1,0,0,0,0|2,0,0]=4 2324 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,1,0,0,0,0|1,0,0]=3 2325 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,1,0,0,0,0|2,0,0]=4 2326 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,1,0,0,0,0|1,0,0]=3 2327 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,1,0,0,0,0|2,0,0]=4 2328 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [1,1,0,0,0,0|2,0,0]=4 2329 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,1,0,0,0,0|1,0,0]=3 2330 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,1,0,0,0,0|2,0,0]=4 2331 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,1,0,0,0,0|2,0,0]=4 2332 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,1,0,0,0,0|2,0,0]=4 2333 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,1,0,0,0,0|2,0,0]=4 2334 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,1,0,0,0,0|1,0,0]=3 2335 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,1,0,0,0,0|2,0,0]=4 2336 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,1,0,0,0,0|2,0,0]=4 2337 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,1,0,0,0,0|2,0,0]=4 2338 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,0,1,0|1,0,1]=4 2339 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [0,1,0,0,1,0|1,0,1]=4 2340 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,0,1,0|1,0,0]=3 2341 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,0,1,0|1,0,0]=3 2342 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [0,1,0,0,1,0|2,0,0]=4 2343 B12R2.1 CSc1c[nH]c2c1ccnc2 62a_200000210301_100010232032 [0,1,0,0,1,0|2,0,0]=4 2344 B12R2.1 CSc1c[nH]c2c1cncc2 62a_200000210301_100000753697 [0,1,0,0,1,0|2,0,0]=4 2345 B12R2.1 CSc1c[nH]c2c1nccc2 62a_200000210301_100009817151 [0,1,0,0,1,0|2,0,0]=4 2346 B12R2.1 CSc1cnc2n1cccc2 62a_200000210301_100011219245 [0,1,0,0,1,0|2,0,0]=4 2347 B12R2.1 CSc1cnn2c1cccc2 62a_200000210301_100009817726 [0,1,0,0,1,0|2,0,0]=4 2348 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,0,1,0|1,0,0]=3 2349 B12R2.1 CSc1coc2c1nccc2 62a_200000210301_100009889148 [0,1,0,0,1,0|2,0,0]=4 2350 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,1,0,0,1,0|1,0,0]=3 2351 B12R2.1 CSc1csc2c1cccn2 62a_100009830249_200000210301 [0,1,0,0,1,0|2,0,0]=4 2352 B12R2.1 CSc1csc2c1cccn2 62a_200000210301_100009830249 [0,1,0,0,1,0|2,0,0]=4 2353 B12R2.1 CSc1csc2c1ccnc2 62a_100009817111_200000210301 [0,1,0,0,1,0|2,0,0]=4 2354 B12R2.1 CSc1csc2c1ccnc2 62a_200000210301_100009817111 [0,1,0,0,1,0|2,0,0]=4 2355 B12R2.1 CSc1csc2c1cncc2 62a_100010247091_200000210301 [0,1,0,0,1,0|2,0,0]=4 2356 B12R2.1 CSc1csc2c1cncc2 62a_200000210301_100010247091 [0,1,0,0,1,0|2,0,0]=4 2357 B12R2.1 CSc1csc2c1nccc2 62a_200000210301_100010247092 [0,1,0,0,1,0|2,0,0]=4 2358 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [0,1,0,0,1,0|2,0,0]=4 2359 B12R2.1 CSc1ncn2c1cccc2 62a_200000210301_100010892795 [0,1,0,0,1,0|2,0,0]=4 2360 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,0,1,0|2,0,0]=4 2361 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,0,1,0|2,0,0]=4 2362 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,0,1,0|1,0,0]=3 2363 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,0,1,0|1,0,0]=3 2364 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [0,1,0,0,1,0|2,0,0]=4 2365 B12R2.1 [13CH3]Sc1c[nH]c2c1ccnc2 62a_200025704644_100010232032 [0,1,0,0,1,0|2,0,0]=4 2366 B12R2.1 [13CH3]Sc1c[nH]c2c1cncc2 62a_200025704644_100000753697 [0,1,0,0,1,0|2,0,0]=4 2367 B12R2.1 [13CH3]Sc1c[nH]c2c1nccc2 62a_200025704644_100009817151 [0,1,0,0,1,0|2,0,0]=4 2368 B12R2.1 [13CH3]Sc1cnc2n1cccc2 62a_200025704644_100011219245 [0,1,0,0,1,0|2,0,0]=4 2369 B12R2.1 [13CH3]Sc1cnn2c1cccc2 62a_200025704644_100009817726 [0,1,0,0,1,0|2,0,0]=4 2370 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,0,1,0|1,0,0]=3 2371 B12R2.1 [13CH3]Sc1coc2c1nccc2 62a_200025704644_100009889148 [0,1,0,0,1,0|2,0,0]=4 2372 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,1,0,0,1,0|1,0,0]=3 2373 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_100009830249_200025704644 [0,1,0,0,1,0|2,0,0]=4 2374 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_200025704644_100009830249 [0,1,0,0,1,0|2,0,0]=4 2375 B12R2.1 [13CH3]Sc1csc2c1ccnc2 62a_100009817111_200025704644 [0,1,0,0,1,0|2,0,0]=4 2376 B12R2.1 [13CH3]Sc1csc2c1ccnc2 62a_200025704644_100009817111 [0,1,0,0,1,0|2,0,0]=4 2377 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_100010247091_200025704644 [0,1,0,0,1,0|2,0,0]=4 2378 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_200025704644_100010247091 [0,1,0,0,1,0|2,0,0]=4 2379 B12R2.1 [13CH3]Sc1csc2c1nccc2 62a_200025704644_100010247092 [0,1,0,0,1,0|2,0,0]=4 2380 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [0,1,0,0,1,0|2,0,0]=4 2381 B12R2.1 [13CH3]Sc1ncn2c1cccc2 62a_200025704644_100010892795 [0,1,0,0,1,0|2,0,0]=4 2382 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,0,1,0|2,0,0]=4 2383 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,0,1,0|2,0,0]=4 2384 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,1,0,0,1,0|1,0,0]=3 2385 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,0,1,0|2,0,0]=4 2386 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,0,1,0|2,0,0]=4 2387 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,1,0,0,1,0|2,0,0]=4 2388 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,0,1,0|1,0,0]=3 2389 B12R2.132 Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010202333 [0,1,0,0,1,0|2,0,0]=4 2390 B12R2.132 Cc1cnc2n1cc(cc2)O 271570a_203496583355_100012353388 [0,1,0,0,1,0|2,0,0]=4 2391 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,0,1,0|1,0,0]=3 2392 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,0,1,0|1,0,0]=3 2393 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [0,1,0,0,1,0|2,0,0]=4 2394 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,0,1,0|2,0,0]=4 2395 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [0,1,0,0,1,0|1,0,0]=3 2396 B12R2.132 Cn1ccc2c1cc(cn2)O 271570a_203496583355_100010761474 [0,1,0,0,1,0|2,0,0]=4 2397 B12R2.132 Cn1ccc2c1cc(nc2)O 271570a_203496583355_100020639908 [0,1,0,0,1,0|2,0,0]=4 2398 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [0,1,0,0,1,0|2,0,0]=4 2399 B12R2.132 Cn1ncc2c1cc(cc2)O 271570a_203496583355_100009817177 [0,1,0,0,1,0|2,0,0]=4 2400 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,0,1,0|2,0,0]=4 2401 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,0,1,0|1,0,0]=3 2402 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [0,1,0,0,1,0|2,0,0]=4 2403 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,1,0,0,1,0|1,0,0]=3 2404 B12R2.196 Cn1ccc2c1ccnc2O 271570a_203496583355_100000048735 [0,1,0,0,1,0|2,0,0]=4 2405 B12R2.196 Cn1ccc2c1nccc2O 271570a_203496583355_100010168893 [0,1,0,0,1,0|2,0,0]=4 2406 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [0,1,0,0,1,0|2,0,0]=4 2407 B12R2.196 Cn1ncc2c1cccc2O 271570a_203496583355_100009817161 [0,1,0,0,1,0|2,0,0]=4 2408 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,0,1,0|1,0,0]=3 2409 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [0,1,0,0,1,0|2,0,0]=4 2410 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [0,1,0,0,1,0|2,0,0]=4 2411 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [0,1,0,0,1,0|1,0,0]=3 2412 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [0,1,0,0,1,0|2,0,0]=4 2413 B12R2.203 Cn1ncc2c1c(ccc2)O 271570a_203496583355_100009817178 [0,1,0,0,1,0|2,0,0]=4 2414 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,0,1,0|1,0,0]=3 2415 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,0,1,0|1,0,0]=3 2416 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [0,1,0,0,1,0|2,0,0]=4 2417 B12R2.612 Cc1ncc2n1ccc(c2)O 271570a_203496583355_100000730832 [0,1,0,0,1,0|2,0,0]=4 2418 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,0,1,0|2,0,0]=4 2419 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,1,0,0,1,0|1,0,0]=3 2420 B12R2.612 Cn1ccc2c1ncc(c2)O 271570a_203496583355_100010191616 [0,1,0,0,1,0|2,0,0]=4 2421 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [0,1,0,0,1,0|2,0,0]=4 2422 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [0,1,0,0,1,0|2,0,0]=4 2423 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,0,1,0|1,0,0]=3 2424 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [0,1,0,0,1,0|2,0,0]=4 2425 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,0,1,0|2,0,0]=4 2426 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [0,1,0,0,1,0|1,0,0]=3 2427 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [0,1,0,0,1,0|1,0,0]=3 2428 B12R2.82 Cc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817094 [0,1,0,0,1,0|2,0,0]=4 2429 B12R2.82 Cc1c(ccc2c1nc[nH]2)O 271570a_203496583355_100010009745 [0,1,0,0,1,0|2,0,0]=4 2430 B12R2.82 Cc1c(ccc2n1ccn2)O 271570a_203496583355_100012569086 [0,1,0,0,1,0|2,0,0]=4 2431 B12R2.82 Cc1c(ccc2n1ncc2)O 271570a_203496583355_100010767214 [0,1,0,0,1,0|2,0,0]=4 2432 B12R2.82 Cc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010254266 [0,1,0,0,1,0|2,0,0]=4 2433 B12R2.82 Cc1c(ncc2c1[nH]cc2)O 271570a_203496583355_100010244392 [0,1,0,0,1,0|2,0,0]=4 2434 B12R2.82 Cc1ccc2[nH]ccc2c1O 271570a_203496583355_100010248896 [0,1,0,0,1,0|2,0,0]=4 2435 B12R2.82 Cc1ccc2cc[nH]c2c1O 271570a_203496583355_100010717004 [0,1,0,0,1,0|2,0,0]=4 2436 B12R2.82 Oc1c(ccc2c1cc[nH]2)F 271570a_203496583355_100102525403 [0,1,0,0,1,0|2,0,0]=4 2437 B12R2.82 Oc1ccc2[nH]ccc2c1F 271570a_203496583355_100000700836 [0,1,0,0,1,0|2,0,0]=4 2438 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,1,0,0,1,0|1,0,1]=4 2439 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,1,0,0,1,0|2,0,0]=4 2440 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [0,1,0,0,1,0|2,0,0]=4 2441 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [0,1,0,0,1,0|2,0,0]=4 2442 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,1,0,0,1,0|2,0,0]=4 2443 B12R2.221 Cc1ccc(c2c1[nH]cc2)O 271570a_203496583355_100009820812 [0,1,0,0,1,0|1,0,0]=3 2444 B12R2.221 Cc1ccc(c2c1[nH]nc2)O 271570a_203496583355_100009817120 [0,1,0,0,1,0|2,0,0]=4 2445 B12R2.221 Cc1ccc(c2c1cc[nH]2)O 271570a_203496583355_100010219157 [0,1,0,0,1,0|1,0,0]=3 2446 B12R2.221 Cc1ccc(c2c1cco2)O 271570a_203496583355_100010253976 [0,1,0,0,1,0|1,0,0]=3 2447 B12R2.221 Cc1ccc(c2n1ccn2)O 271570a_203496583355_200015695500 [0,1,0,0,1,0|2,0,0]=4 2448 B12R2.221 Cc1cnc(c2c1[nH]cc2)O 271570a_203496583355_100010244391 [0,1,0,0,1,0|2,0,0]=4 2449 B12R2.221 Cc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010244396 [0,1,0,0,1,0|2,0,0]=4 2450 B12R2.221 Oc1ccc(c2c1[nH]cc2)F 271570a_203496583355_100010138378 [0,1,0,0,1,0|2,0,0]=4 2451 B12R2.221 Oc1ccc(c2c1cc[nH]2)F 271570a_203496583355_100010006601 [0,1,0,0,1,0|2,0,0]=4 2452 B12R2.221 Oc1ccc(c2c1cco2)F 271570a_203496583355_100010248603 [0,1,0,0,1,0|2,0,0]=4 2453 B12R2.221 Oc1ccc(c2c1cco2)O 271570a_203496583355_200020711608 [0,1,0,0,1,0|2,0,0]=4 2454 B12R2.221 Oc1ccc(c2c1occ2)F 271570a_203496583355_100012355473 [0,1,0,0,1,0|2,0,0]=4 2455 B12R2.246 Cc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010186026 [0,1,0,0,1,0|2,0,0]=4 2456 B12R2.246 Cc1cc(c2occc2c1)O 271570a_203496583355_100012361857 [0,1,0,0,1,0|2,0,0]=4 2457 B12R2.246 Cc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009817142 [0,1,0,0,1,0|1,0,0]=3 2458 B12R2.246 Cc1cc(cc2c1[nH]nc2)O 271570a_203496583355_100009812868 [0,1,0,0,1,0|2,0,0]=4 2459 B12R2.246 Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100009816875 [0,1,0,0,1,0|2,0,0]=4 2460 B12R2.246 Cc1cc(cc2c1nc[nH]2)O 271570a_203496583355_100000239325 [0,1,0,0,1,0|2,0,0]=4 2461 B12R2.246 Cc1cc(cc2c1occ2)O 271570a_203496583355_100012361858 [0,1,0,0,1,0|1,0,0]=3 2462 B12R2.246 Cc1cc(cn2c1ncc2)O 271570a_203496583355_100000701042 [0,1,0,0,1,0|2,0,0]=4 2463 B12R2.246 Nc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006569 [0,1,0,0,1,0|2,0,0]=4 2464 B12R2.246 Nc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009813507 [0,1,0,0,1,0|2,0,0]=4 2465 B12R2.246 Nc1cc(cc2c1cc[nH]2)O 271570a_203496583355_106744500199 [0,1,0,0,1,0|2,0,0]=4 2466 B12R2.246 Oc1cc(c2[nH]ccc2c1)F 271570a_203496583355_100010138380 [0,1,0,0,1,0|2,0,0]=4 2467 B12R2.246 Oc1cc(c2cc[nH]c2c1)Br 271570a_203496583355_100009814775 [0,1,0,0,1,0|2,0,0]=4 2468 B12R2.246 Oc1cc(c2cc[nH]c2c1)F 271570a_203496583355_100010186028 [0,1,0,0,1,0|2,0,0]=4 2469 B12R2.246 Oc1cc(c2occc2c1)F 271570a_203496583355_100012355474 [0,1,0,0,1,0|2,0,0]=4 2470 B12R2.246 Oc1cc(c2occc2c1)O 271570a_203496583355_200010248604 [0,1,0,0,1,0|2,0,0]=4 2471 B12R2.246 Oc1cc(cc2c1[nH]cc2)F 271570a_203496583355_100010138379 [0,1,0,0,1,0|2,0,0]=4 2472 B12R2.246 Oc1cc(cc2c1cc[nH]2)Br 271570a_203496583355_100009814761 [0,1,0,0,1,0|2,0,0]=4 2473 B12R2.246 Oc1cc(cc2c1cc[nH]2)F 271570a_203496583355_100010188273 [0,1,0,0,1,0|2,0,0]=4 2474 B12R2.246 Oc1cc(cc2c1occ2)F 271570a_203496583355_100011935139 [0,1,0,0,1,0|2,0,0]=4 2475 B12R2.315 C=Cc1cccc2c1CC=C2 271570a_100011290941_100009844718 [0,1,0,0,1,0|0,0,2]=4 2476 B12R2.315 C=Cc1cccc2c1[nH]cc2 271570a_100011290941_100009813418 [0,1,0,0,1,0|1,0,1]=4 2477 B12R2.315 C=Cc1cccc2c1cc[nH]2 271570a_100011290941_100000685724 [0,1,0,0,1,0|1,0,1]=4 2478 B12R2.315 C=Cc1cccc2c1cco2 271570a_100011290941_100000756496 [0,1,0,0,1,0|1,0,1]=4 2479 B12R2.315 C=Cc1cccc2c1ccs2 271570a_100011290941_100009816950 [0,1,0,0,1,0|1,0,1]=4 2480 B12R2.315 C=Cc1cccc2c1occ2 271570a_100011290941_100011935138 [0,1,0,0,1,0|1,0,1]=4 2481 B12R2.315 C=Cc1cccc2c1scc2 271570a_100011290941_100000766737 [0,1,0,0,1,0|1,0,1]=4 2482 B12R2.315 CNc1cccc2c1ccs2 34a_100020628958_200000210301 [0,1,0,0,1,0|1,0,0]=3 2483 B12R2.315 CNc1cccc2c1nco2 34a_100000717946_200000210301 [0,1,0,0,1,0|2,0,0]=4 2484 B12R2.315 CNc1cccc2c1scn2 34a_100000099145_200000210301 [0,1,0,0,1,0|2,0,0]=4 2485 B12R2.315 CNc1cccn2c1ccn2 27a_100102657272_100010767162 [0,1,0,0,1,0|2,0,0]=4 2486 B12R2.315 CNc1ccnc2c1ccs2 27a_100102657272_100009861243 [0,1,0,0,1,0|2,0,0]=4 2487 B12R2.315 CNc1ccnc2c1scc2 27a_100102657272_100000764135 [0,1,0,0,1,0|2,0,0]=4 2488 B12R2.315 CNc1nccc2c1cco2 27a_100102657272_100000041166 [0,1,0,0,1,0|2,0,0]=4 2489 B12R2.315 CNc1nccc2c1ccs2 27a_100102657272_100000047778 [0,1,0,0,1,0|2,0,0]=4 2490 B12R2.315 CNc1nccc2c1scc2 27a_100102657272_100000117209 [0,1,0,0,1,0|2,0,0]=4 2491 B12R2.315 CNc1nccn2c1ccc2 27a_100102657272_100000094558 [0,1,0,0,1,0|2,0,0]=4 2492 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [0,1,0,0,1,0|1,0,0]=3 2493 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [0,1,0,0,1,0|1,0,0]=3 2494 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [0,1,0,0,1,0|1,0,0]=3 2495 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [0,1,0,0,1,0|2,0,0]=4 2496 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [0,1,0,0,1,0|2,0,0]=4 2497 B12R2.315 COc1cccn2c1ncc2 34a_100000068405_200000210301 [0,1,0,0,1,0|2,0,0]=4 2498 B12R2.315 COc1cccn2c1ncc2 7a_100000068405_200000210301 [0,1,0,0,1,0|2,0,0]=4 2499 B12R2.315 COc1ccnc2c1scc2 34a_100000759877_200000210301 [0,1,0,0,1,0|2,0,0]=4 2500 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [0,1,0,0,1,0|0,0,1]=3 2501 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [0,1,0,0,1,0|0,0,1]=3 2502 B12R2.315 CSc1cccc2c1[nH]cc2 62a_200000210301_100009813418 [0,1,0,0,1,0|1,0,0]=3 2503 B12R2.315 CSc1cccc2c1[nH]nc2 62a_200000210301_100009816125 [0,1,0,0,1,0|2,0,0]=4 2504 B12R2.315 CSc1cccc2c1cc[nH]2 62a_200000210301_100000685724 [0,1,0,0,1,0|1,0,0]=3 2505 B12R2.315 CSc1cccc2c1cco2 62a_200000210301_100000756496 [0,1,0,0,1,0|1,0,0]=3 2506 B12R2.315 CSc1cccc2c1ccs2 62a_200000210301_100009816950 [0,1,0,0,1,0|1,0,0]=3 2507 B12R2.315 CSc1cccc2c1cn[nH]2 62a_200000210301_100000753301 [0,1,0,0,1,0|2,0,0]=4 2508 B12R2.315 CSc1cccc2c1cno2 62a_200000210301_100009818589 [0,1,0,0,1,0|2,0,0]=4 2509 B12R2.315 CSc1cccc2c1nc[nH]2 62a_200000210301_100011935113 [0,1,0,0,1,0|2,0,0]=4 2510 B12R2.315 CSc1cccc2c1nco2 62a_200000210301_100009816834 [0,1,0,0,1,0|2,0,0]=4 2511 B12R2.315 CSc1cccc2c1ncs2 62a_200000210301_100000726125 [0,1,0,0,1,0|2,0,0]=4 2512 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [0,1,0,0,1,0|1,0,0]=3 2513 B12R2.315 CSc1cccc2c1ocn2 62a_200000210301_100000728214 [0,1,0,0,1,0|2,0,0]=4 2514 B12R2.315 CSc1cccc2c1onc2 62a_200000210301_100000765530 [0,1,0,0,1,0|2,0,0]=4 2515 B12R2.315 CSc1cccc2c1scc2 62a_200000210301_100000766737 [0,1,0,0,1,0|1,0,0]=3 2516 B12R2.315 CSc1cccc2c1scn2 62a_200000210301_100010246326 [0,1,0,0,1,0|2,0,0]=4 2517 B12R2.315 CSc1cccc2n1ccn2 62a_100000762677_200000210301 [0,1,0,0,1,0|2,0,0]=4 2518 B12R2.315 CSc1cccc2n1ccn2 62a_200000210301_100000762677 [0,1,0,0,1,0|2,0,0]=4 2519 B12R2.315 CSc1cccc2n1cnc2 62a_100009817730_200000210301 [0,1,0,0,1,0|2,0,0]=4 2520 B12R2.315 CSc1cccc2n1cnc2 62a_200000210301_100009817730 [0,1,0,0,1,0|2,0,0]=4 2521 B12R2.315 CSc1cccc2n1ncc2 62a_200000210301_100009817731 [0,1,0,0,1,0|2,0,0]=4 2522 B12R2.315 CSc1cccn2c1ccn2 62a_200000210301_100010767162 [0,1,0,0,1,0|2,0,0]=4 2523 B12R2.315 CSc1cccn2c1cnc2 62a_200000210301_100009857155 [0,1,0,0,1,0|2,0,0]=4 2524 B12R2.315 CSc1cccn2c1ncc2 62a_200000210301_100011934911 [0,1,0,0,1,0|2,0,0]=4 2525 B12R2.315 CSc1ccnc2c1[nH]cc2 62a_200000210301_100000087553 [0,1,0,0,1,0|2,0,0]=4 2526 B12R2.315 CSc1ccnc2c1cc[nH]2 62a_200000210301_100000766882 [0,1,0,0,1,0|2,0,0]=4 2527 B12R2.315 CSc1ccnc2c1ccs2 62a_200000210301_100009861243 [0,1,0,0,1,0|2,0,0]=4 2528 B12R2.315 CSc1ccnc2c1occ2 62a_200000210301_100009853057 [0,1,0,0,1,0|2,0,0]=4 2529 B12R2.315 CSc1ccnc2c1scc2 62a_200000210301_100000764135 [0,1,0,0,1,0|2,0,0]=4 2530 B12R2.315 CSc1cncc2c1[nH]cc2 62a_200000210301_100000217057 [0,1,0,0,1,0|2,0,0]=4 2531 B12R2.315 CSc1cncc2c1cc[nH]2 62a_200000210301_100009840476 [0,1,0,0,1,0|2,0,0]=4 2532 B12R2.315 CSc1nccc2c1[nH]cc2 62a_200000210301_100000060748 [0,1,0,0,1,0|2,0,0]=4 2533 B12R2.315 CSc1nccc2c1cc[nH]2 62a_200000210301_100000086534 [0,1,0,0,1,0|2,0,0]=4 2534 B12R2.315 CSc1nccc2c1cco2 62a_200000210301_100000041166 [0,1,0,0,1,0|2,0,0]=4 2535 B12R2.315 CSc1nccc2c1ccs2 62a_200000210301_100000047778 [0,1,0,0,1,0|2,0,0]=4 2536 B12R2.315 CSc1nccc2c1scc2 62a_200000210301_100000117209 [0,1,0,0,1,0|2,0,0]=4 2537 B12R2.315 CSc1nccn2c1ccc2 62a_200000210301_100000094558 [0,1,0,0,1,0|2,0,0]=4 2538 B12R2.315 [13CH3]Nc1cccc2c1ccs2 34a_100020628958_200025704644 [0,1,0,0,1,0|1,0,0]=3 2539 B12R2.315 [13CH3]Nc1cccc2c1nco2 34a_100000717946_200025704644 [0,1,0,0,1,0|2,0,0]=4 2540 B12R2.315 [13CH3]Nc1cccc2c1scn2 34a_100000099145_200025704644 [0,1,0,0,1,0|2,0,0]=4 2541 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [0,1,0,0,1,0|1,0,0]=3 2542 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [0,1,0,0,1,0|1,0,0]=3 2543 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [0,1,0,0,1,0|1,0,0]=3 2544 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [0,1,0,0,1,0|2,0,0]=4 2545 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [0,1,0,0,1,0|2,0,0]=4 2546 B12R2.315 [13CH3]Oc1cccn2c1ncc2 34a_100000068405_200025704644 [0,1,0,0,1,0|2,0,0]=4 2547 B12R2.315 [13CH3]Oc1cccn2c1ncc2 7a_100000068405_200025704644 [0,1,0,0,1,0|2,0,0]=4 2548 B12R2.315 [13CH3]Oc1ccnc2c1scc2 34a_100000759877_200025704644 [0,1,0,0,1,0|2,0,0]=4 2549 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [0,1,0,0,1,0|0,0,1]=3 2550 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [0,1,0,0,1,0|0,0,1]=3 2551 B12R2.315 [13CH3]Sc1cccc2c1[nH]cc2 62a_200025704644_100009813418 [0,1,0,0,1,0|1,0,0]=3 2552 B12R2.315 [13CH3]Sc1cccc2c1[nH]nc2 62a_200025704644_100009816125 [0,1,0,0,1,0|2,0,0]=4 2553 B12R2.315 [13CH3]Sc1cccc2c1cc[nH]2 62a_200025704644_100000685724 [0,1,0,0,1,0|1,0,0]=3 2554 B12R2.315 [13CH3]Sc1cccc2c1cco2 62a_200025704644_100000756496 [0,1,0,0,1,0|1,0,0]=3 2555 B12R2.315 [13CH3]Sc1cccc2c1ccs2 62a_200025704644_100009816950 [0,1,0,0,1,0|1,0,0]=3 2556 B12R2.315 [13CH3]Sc1cccc2c1cn[nH]2 62a_200025704644_100000753301 [0,1,0,0,1,0|2,0,0]=4 2557 B12R2.315 [13CH3]Sc1cccc2c1cno2 62a_200025704644_100009818589 [0,1,0,0,1,0|2,0,0]=4 2558 B12R2.315 [13CH3]Sc1cccc2c1nc[nH]2 62a_200025704644_100011935113 [0,1,0,0,1,0|2,0,0]=4 2559 B12R2.315 [13CH3]Sc1cccc2c1nco2 62a_200025704644_100009816834 [0,1,0,0,1,0|2,0,0]=4 2560 B12R2.315 [13CH3]Sc1cccc2c1ncs2 62a_200025704644_100000726125 [0,1,0,0,1,0|2,0,0]=4 2561 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [0,1,0,0,1,0|1,0,0]=3 2562 B12R2.315 [13CH3]Sc1cccc2c1ocn2 62a_200025704644_100000728214 [0,1,0,0,1,0|2,0,0]=4 2563 B12R2.315 [13CH3]Sc1cccc2c1onc2 62a_200025704644_100000765530 [0,1,0,0,1,0|2,0,0]=4 2564 B12R2.315 [13CH3]Sc1cccc2c1scc2 62a_200025704644_100000766737 [0,1,0,0,1,0|1,0,0]=3 2565 B12R2.315 [13CH3]Sc1cccc2c1scn2 62a_200025704644_100010246326 [0,1,0,0,1,0|2,0,0]=4 2566 B12R2.315 [13CH3]Sc1cccc2n1ccn2 62a_100000762677_200025704644 [0,1,0,0,1,0|2,0,0]=4 2567 B12R2.315 [13CH3]Sc1cccc2n1ccn2 62a_200025704644_100000762677 [0,1,0,0,1,0|2,0,0]=4 2568 B12R2.315 [13CH3]Sc1cccc2n1cnc2 62a_100009817730_200025704644 [0,1,0,0,1,0|2,0,0]=4 2569 B12R2.315 [13CH3]Sc1cccc2n1cnc2 62a_200025704644_100009817730 [0,1,0,0,1,0|2,0,0]=4 2570 B12R2.315 [13CH3]Sc1cccc2n1ncc2 62a_200025704644_100009817731 [0,1,0,0,1,0|2,0,0]=4 2571 B12R2.315 [13CH3]Sc1cccn2c1ccn2 62a_200025704644_100010767162 [0,1,0,0,1,0|2,0,0]=4 2572 B12R2.315 [13CH3]Sc1cccn2c1cnc2 62a_200025704644_100009857155 [0,1,0,0,1,0|2,0,0]=4 2573 B12R2.315 [13CH3]Sc1cccn2c1ncc2 62a_200025704644_100011934911 [0,1,0,0,1,0|2,0,0]=4 2574 B12R2.315 [13CH3]Sc1ccnc2c1[nH]cc2 62a_200025704644_100000087553 [0,1,0,0,1,0|2,0,0]=4 2575 B12R2.315 [13CH3]Sc1ccnc2c1cc[nH]2 62a_200025704644_100000766882 [0,1,0,0,1,0|2,0,0]=4 2576 B12R2.315 [13CH3]Sc1ccnc2c1ccs2 62a_200025704644_100009861243 [0,1,0,0,1,0|2,0,0]=4 2577 B12R2.315 [13CH3]Sc1ccnc2c1occ2 62a_200025704644_100009853057 [0,1,0,0,1,0|2,0,0]=4 2578 B12R2.315 [13CH3]Sc1ccnc2c1scc2 62a_200025704644_100000764135 [0,1,0,0,1,0|2,0,0]=4 2579 B12R2.315 [13CH3]Sc1cncc2c1[nH]cc2 62a_200025704644_100000217057 [0,1,0,0,1,0|2,0,0]=4 2580 B12R2.315 [13CH3]Sc1cncc2c1cc[nH]2 62a_200025704644_100009840476 [0,1,0,0,1,0|2,0,0]=4 2581 B12R2.315 [13CH3]Sc1nccc2c1[nH]cc2 62a_200025704644_100000060748 [0,1,0,0,1,0|2,0,0]=4 2582 B12R2.315 [13CH3]Sc1nccc2c1cc[nH]2 62a_200025704644_100000086534 [0,1,0,0,1,0|2,0,0]=4 2583 B12R2.315 [13CH3]Sc1nccc2c1cco2 62a_200025704644_100000041166 [0,1,0,0,1,0|2,0,0]=4 2584 B12R2.315 [13CH3]Sc1nccc2c1ccs2 62a_200025704644_100000047778 [0,1,0,0,1,0|2,0,0]=4 2585 B12R2.315 [13CH3]Sc1nccc2c1scc2 62a_200025704644_100000117209 [0,1,0,0,1,0|2,0,0]=4 2586 B12R2.315 [13CH3]Sc1nccn2c1ccc2 62a_200025704644_100000094558 [0,1,0,0,1,0|2,0,0]=4 2587 B14R2.92 C=Cc1c[nH]c2ccccc2c1=O 271570a_100011290941_100012339567 [0,2,0,0,0,0|2,0,0]=4 2588 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [0,2,0,0,0,0|1,0,0]=3 2589 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,2,0,0,0,0|0,0,0]=2 2590 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [0,2,0,0,0,0|1,0,0]=3 2591 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [0,2,0,0,0,0|1,0,0]=3 2592 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [0,2,0,0,0,0|1,0,0]=3 2593 B14R2.92 C=Cc1ccc2cccnc2c1C 271570a_100011290941_100010214467 [0,2,0,0,0,0|1,0,0]=3 2594 B14R2.92 C=Cc1ccc2cccnc2c1F 271570a_100011290941_100010751467 [0,2,0,0,0,0|2,0,0]=4 2595 B14R2.92 C=Cc1ccc2cccnc2c1O 271570a_100011290941_100009816563 [0,2,0,0,0,0|2,0,0]=4 2596 B14R2.92 C=Cc1ccc2cnccc2c1N 271570a_100011290941_100010191621 [0,2,0,0,0,0|2,0,0]=4 2597 B14R2.92 C=Cc1ccc2ncccc2c1C 271570a_100011290941_200010137439 [0,2,0,0,0,0|1,0,0]=3 2598 B14R2.92 C=Cc1ccc2ncccc2c1N 271570a_100011290941_200010235790 [0,2,0,0,0,0|2,0,0]=4 2599 B14R2.92 C=Cc1ccc2nccnc2c1C 271570a_100011290941_100135414757 [0,2,0,0,0,0|2,0,0]=4 2600 B14R2.92 C=Cc1cnc2ccccc2c1Cl 271570a_100011290941_100012352519 [0,2,0,0,0,0|2,0,0]=4 2601 B14R2.92 C=Cc1cnc2ccccc2c1N 271570a_100011290941_100009995562 [0,2,0,0,0,0|2,0,0]=4 2602 B14R2.92 C=Cc1coc2ccccc2c1=O 271570a_100011290941_100009813851 [0,2,0,0,0,0|2,0,0]=4 2603 B14R2.92 C=Cc1ncc2ccccc2c1N 271570a_100011290941_100000087573 [0,2,0,0,0,0|2,0,0]=4 2604 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [0,2,0,0,0,0|1,0,0]=3 2605 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [0,2,0,0,0,0|1,0,0]=3 2606 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,2,0,0,0,0|1,0,0]=3 2607 B14R2.92 CNc1ccc2cnccc2c1Cl 34a_100009851981_200000210301 [0,2,0,0,0,0|2,0,0]=4 2608 B14R2.92 CNc1ccc2ncccc2c1Br 34a_200009995563_200000210301 [0,2,0,0,0,0|2,0,0]=4 2609 B14R2.92 CNc1ccc2nccnc2c1C 27a_100102657272_100135414757 [0,2,0,0,0,0|2,0,0]=4 2610 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,2,0,0,0,0|1,0,0]=3 2611 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,2,0,0,0,0|1,0,0]=3 2612 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,2,0,0,0,0|0,0,0]=2 2613 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,2,0,0,0,0|0,0,0]=2 2614 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,2,0,0,0,0|1,0,0]=3 2615 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,2,0,0,0,0|1,0,0]=3 2616 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,2,0,0,0,0|1,0,0]=3 2617 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,2,0,0,0,0|1,0,0]=3 2618 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,2,0,0,0,0|1,0,0]=3 2619 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,2,0,0,0,0|1,0,0]=3 2620 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,2,0,0,0,0|1,0,0]=3 2621 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [0,2,0,0,0,0|2,0,0]=4 2622 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [0,2,0,0,0,0|2,0,0]=4 2623 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [0,2,0,0,0,0|2,0,0]=4 2624 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2625 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2626 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [0,2,0,0,0,0|2,0,0]=4 2627 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [0,2,0,0,0,0|2,0,0]=4 2628 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [0,2,0,0,0,0|2,0,0]=4 2629 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [0,2,0,0,0,0|1,0,0]=3 2630 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [0,2,0,0,0,0|1,0,0]=3 2631 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,2,0,0,0,0|0,0,0]=2 2632 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,2,0,0,0,0|0,0,0]=2 2633 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [0,2,0,0,0,0|1,0,0]=3 2634 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [0,2,0,0,0,0|1,0,0]=3 2635 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [0,2,0,0,0,0|1,0,0]=3 2636 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,2,0,0,0,0|1,0,0]=3 2637 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [0,2,0,0,0,0|1,0,0]=3 2638 B14R2.92 CSc1ccc2cccnc2c1F 62a_100010751467_200000210301 [0,2,0,0,0,0|2,0,0]=4 2639 B14R2.92 CSc1ccc2cccnc2c1F 62a_200000210301_100010751467 [0,2,0,0,0,0|2,0,0]=4 2640 B14R2.92 CSc1ccc2cccnc2c1O 62a_200000210301_100009816563 [0,2,0,0,0,0|2,0,0]=4 2641 B14R2.92 CSc1ccc2cnccc2c1N 62a_100010191621_200000210301 [0,2,0,0,0,0|2,0,0]=4 2642 B14R2.92 CSc1ccc2cnccc2c1N 62a_200000210301_100010191621 [0,2,0,0,0,0|2,0,0]=4 2643 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [0,2,0,0,0,0|1,0,0]=3 2644 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [0,2,0,0,0,0|1,0,0]=3 2645 B14R2.92 CSc1ccc2ncccc2c1N 62a_200010235790_200000210301 [0,2,0,0,0,0|2,0,0]=4 2646 B14R2.92 CSc1ccc2nccnc2c1C 62a_100135414757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2647 B14R2.92 CSc1ccc2nccnc2c1C 62a_200000210301_100135414757 [0,2,0,0,0,0|2,0,0]=4 2648 B14R2.92 CSc1cnc2ccccc2c1Cl 62a_200000210301_100012352519 [0,2,0,0,0,0|2,0,0]=4 2649 B14R2.92 CSc1cnc2ccccc2c1N 62a_100009995562_200000210301 [0,2,0,0,0,0|2,0,0]=4 2650 B14R2.92 CSc1cnc2ccccc2c1N 62a_200000210301_100009995562 [0,2,0,0,0,0|2,0,0]=4 2651 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,2,0,0,0,0|2,0,0]=4 2652 B14R2.92 CSc1ncc2ccccc2c1N 62a_100009995564_200000210301 [0,2,0,0,0,0|2,0,0]=4 2653 B14R2.92 CSc1ncc2ccccc2c1N 62a_200000210301_100000087573 [0,2,0,0,0,0|2,0,0]=4 2654 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,2,0,0,0,0|0,0,0]=2 2655 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,2,0,0,0,0|0,0,0]=2 2656 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,2,0,0,0,0|0,0,0]=2 2657 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,2,0,0,0,0|0,0,0]=2 2658 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [0,2,0,0,0,0|1,0,0]=3 2659 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [0,2,0,0,0,0|1,0,0]=3 2660 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [0,2,0,0,0,0|1,0,0]=3 2661 B14R2.92 Cc1c(ccc2c1nccn2)S[13CH3] 62a_100135414757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2662 B14R2.92 Cc1c(ccc2c1nccn2)S[13CH3] 62a_200025704644_100135414757 [0,2,0,0,0,0|2,0,0]=4 2663 B14R2.92 N#Cc1cnc2ccccc2c1O 271570a_203496583355_100000741524 [0,2,0,0,0,0|2,0,0]=4 2664 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,2,0,0,0,0|1,0,0]=3 2665 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [0,2,0,0,0,0|1,0,0]=3 2666 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [0,2,0,0,0,0|1,0,0]=3 2667 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,2,0,0,0,0|1,0,0]=3 2668 B14R2.92 [13CH3]Nc1ccc2cnccc2c1Cl 34a_100009851981_200025704644 [0,2,0,0,0,0|2,0,0]=4 2669 B14R2.92 [13CH3]Nc1ccc2ncccc2c1Br 34a_200009995563_200025704644 [0,2,0,0,0,0|2,0,0]=4 2670 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,2,0,0,0,0|1,0,0]=3 2671 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,2,0,0,0,0|1,0,0]=3 2672 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,2,0,0,0,0|1,0,0]=3 2673 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,2,0,0,0,0|1,0,0]=3 2674 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,2,0,0,0,0|1,0,0]=3 2675 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,2,0,0,0,0|1,0,0]=3 2676 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,2,0,0,0,0|1,0,0]=3 2677 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,2,0,0,0,0|1,0,0]=3 2678 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [0,2,0,0,0,0|2,0,0]=4 2679 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [0,2,0,0,0,0|2,0,0]=4 2680 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2681 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2682 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [0,2,0,0,0,0|2,0,0]=4 2683 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [0,2,0,0,0,0|2,0,0]=4 2684 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [0,2,0,0,0,0|2,0,0]=4 2685 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [0,2,0,0,0,0|1,0,0]=3 2686 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [0,2,0,0,0,0|1,0,0]=3 2687 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [0,2,0,0,0,0|1,0,0]=3 2688 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [0,2,0,0,0,0|1,0,0]=3 2689 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [0,2,0,0,0,0|1,0,0]=3 2690 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,2,0,0,0,0|1,0,0]=3 2691 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_100010751467_200025704644 [0,2,0,0,0,0|2,0,0]=4 2692 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_200025704644_100010751467 [0,2,0,0,0,0|2,0,0]=4 2693 B14R2.92 [13CH3]Sc1ccc2cccnc2c1O 62a_200025704644_100009816563 [0,2,0,0,0,0|2,0,0]=4 2694 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_100010191621_200025704644 [0,2,0,0,0,0|2,0,0]=4 2695 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_200025704644_100010191621 [0,2,0,0,0,0|2,0,0]=4 2696 B14R2.92 [13CH3]Sc1ccc2ncccc2c1N 62a_200010235790_200025704644 [0,2,0,0,0,0|2,0,0]=4 2697 B14R2.92 [13CH3]Sc1cnc2ccccc2c1Cl 62a_200025704644_100012352519 [0,2,0,0,0,0|2,0,0]=4 2698 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_100009995562_200025704644 [0,2,0,0,0,0|2,0,0]=4 2699 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_200025704644_100009995562 [0,2,0,0,0,0|2,0,0]=4 2700 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,2,0,0,0,0|2,0,0]=4 2701 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_100009995564_200025704644 [0,2,0,0,0,0|2,0,0]=4 2702 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_200025704644_100000087573 [0,2,0,0,0,0|2,0,0]=4 2703 B14R2.203 C=Cc1c(ccc2c1cccc2)Br 271570a_100011290941_100010090040 [0,2,0,0,0,0|0,0,1]=3 2704 B14R2.203 C=Cc1c(ccc2c1cccc2)C 271570a_100011290941_100000759710 [0,2,0,0,0,0|0,0,1]=3 2705 B14R2.203 C=Cc1c(ccc2c1cccc2)N 271570a_100011290941_100000705303 [0,2,0,0,0,0|0,0,1]=3 2706 B14R2.203 C=Cc1c(ccc2c1cccc2)O 271570a_100011290941_100000183829 [0,2,0,0,0,0|0,0,1]=3 2707 B14R2.203 C=Cc1c(ccc2c1cccn2)N 271570a_100011290941_200009995563 [0,2,0,0,0,0|1,0,1]=4 2708 B14R2.203 C=Cc1c(ccc2c1ccnc2)C 271570a_100011290941_100010204589 [0,2,0,0,0,0|1,0,1]=4 2709 B14R2.203 C=Cc1c(ccc2c1ccnc2)F 271570a_100011290941_100010272212 [0,2,0,0,0,0|1,0,1]=4 2710 B14R2.203 C=Cc1c(ccc2c1ccnc2)N 271570a_100011290941_100010245214 [0,2,0,0,0,0|1,0,1]=4 2711 B14R2.203 C=Cc1c(ccc2c1cncc2)F 271570a_100011290941_200015767032 [0,2,0,0,0,0|1,0,1]=4 2712 B14R2.203 C=Cc1c(ccc2c1cncc2)O 271570a_100011290941_200010115057 [0,2,0,0,0,0|1,0,1]=4 2713 B14R2.203 C=Cc1c(ccc2c1nccc2)O 271570a_100011290941_100010173343 [0,2,0,0,0,0|1,0,1]=4 2714 B14R2.203 C=Cc1c(cnc2c1cccc2)Br 271570a_100011290941_200010179490 [0,2,0,0,0,0|1,0,1]=4 2715 B14R2.203 C=Cc1c(cnc2c1cccc2)C 271570a_100011290941_100000092342 [0,2,0,0,0,0|1,0,1]=4 2716 B14R2.203 C=Cc1c(cnc2c1cccc2)N 271570a_100011290941_100012243074 [0,2,0,0,0,0|1,0,1]=4 2717 B14R2.203 C=Cc1c(ncc2c1cccc2)N 271570a_100011290941_100009994184 [0,2,0,0,0,0|1,0,1]=4 2718 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,2,0,0,0,0|0,0,0]=2 2719 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,2,0,0,0,0|0,0,0]=2 2720 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,2,0,0,0,0|0,0,0]=2 2721 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,2,0,0,0,0|0,0,0]=2 2722 B14R2.203 CNc1c(ccc2c1cccn2)C 34a_100011933972_200000210301 [0,2,0,0,0,0|1,0,0]=3 2723 B14R2.203 CNc1c(ccc2c1nccc2)C 34a_100000065890_200000210301 [0,2,0,0,0,0|1,0,0]=3 2724 B14R2.203 CNc1c(ccc2c1nccn2)N 27a_100102657272_100000729981 [0,2,0,0,0,0|2,0,0]=4 2725 B14R2.203 CNc1c(cnc2c1cccc2)C 27a_100102657272_100000092342 [0,2,0,0,0,0|1,0,0]=3 2726 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,2,0,0,0,0|0,0,0]=2 2727 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,2,0,0,0,0|0,0,0]=2 2728 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,2,0,0,0,0|0,0,0]=2 2729 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,2,0,0,0,0|0,0,0]=2 2730 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,2,0,0,0,0|0,0,0]=2 2731 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,2,0,0,0,0|0,0,0]=2 2732 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,2,0,0,0,0|1,0,0]=3 2733 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,2,0,0,0,0|1,0,0]=3 2734 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,2,0,0,0,0|1,0,0]=3 2735 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,2,0,0,0,0|1,0,0]=3 2736 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,2,0,0,0,0|0,0,0]=2 2737 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,2,0,0,0,0|0,0,0]=2 2738 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,2,0,0,0,0|0,0,0]=2 2739 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,2,0,0,0,0|0,0,0]=2 2740 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,2,0,0,0,0|0,0,0]=2 2741 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,2,0,0,0,0|0,0,0]=2 2742 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,2,0,0,0,0|0,0,0]=2 2743 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200000210301_200009995563 [0,2,0,0,0,0|1,0,0]=3 2744 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200009995563_200000210301 [0,2,0,0,0,0|1,0,0]=3 2745 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_100010204589_200000210301 [0,2,0,0,0,0|1,0,0]=3 2746 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_200000210301_100010204589 [0,2,0,0,0,0|1,0,0]=3 2747 B14R2.203 CSc1c(ccc2c1ccnc2)F 62a_100010272212_200000210301 [0,2,0,0,0,0|1,0,0]=3 2748 B14R2.203 CSc1c(ccc2c1ccnc2)F 62a_200000210301_100010272212 [0,2,0,0,0,0|1,0,0]=3 2749 B14R2.203 CSc1c(ccc2c1ccnc2)N 62a_100010245214_200000210301 [0,2,0,0,0,0|1,0,0]=3 2750 B14R2.203 CSc1c(ccc2c1ccnc2)N 62a_200000210301_100010245214 [0,2,0,0,0,0|1,0,0]=3 2751 B14R2.203 CSc1c(ccc2c1cncc2)F 62a_200000210301_200015767032 [0,2,0,0,0,0|1,0,0]=3 2752 B14R2.203 CSc1c(ccc2c1cncc2)F 62a_200015767032_200000210301 [0,2,0,0,0,0|1,0,0]=3 2753 B14R2.203 CSc1c(ccc2c1cncc2)O 62a_200000210301_200010115057 [0,2,0,0,0,0|1,0,0]=3 2754 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [0,2,0,0,0,0|1,0,0]=3 2755 B14R2.203 CSc1c(ccc2c1nccn2)N 62a_100000729981_200000210301 [0,2,0,0,0,0|2,0,0]=4 2756 B14R2.203 CSc1c(ccc2c1nccn2)N 62a_200000210301_100000729981 [0,2,0,0,0,0|2,0,0]=4 2757 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200000210301_200010179490 [0,2,0,0,0,0|1,0,0]=3 2758 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200010179490_200000210301 [0,2,0,0,0,0|1,0,0]=3 2759 B14R2.203 CSc1c(cnc2c1cccc2)C 62a_200000210301_100000092342 [0,2,0,0,0,0|1,0,0]=3 2760 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_100009995561_200000210301 [0,2,0,0,0,0|1,0,0]=3 2761 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_200000210301_100012243074 [0,2,0,0,0,0|1,0,0]=3 2762 B14R2.203 CSc1c(cnc2c1nccc2)N 62a_200000210301_100009889961 [0,2,0,0,0,0|2,0,0]=4 2763 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_100009994184_200000210301 [0,2,0,0,0,0|1,0,0]=3 2764 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_200000210301_100009994184 [0,2,0,0,0,0|1,0,0]=3 2765 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,2,0,0,0,0|0,0,0]=2 2766 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,2,0,0,0,0|0,0,0]=2 2767 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,2,0,0,0,0|0,0,0]=2 2768 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,2,0,0,0,0|0,0,0]=2 2769 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,2,0,0,0,0|0,0,0]=2 2770 B14R2.203 Cc1ccc2cccnc2c1N[13CH3] 34a_100000065890_200025704644 [0,2,0,0,0,0|1,0,0]=3 2771 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_100010204589_200025704644 [0,2,0,0,0,0|1,0,0]=3 2772 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_200025704644_100010204589 [0,2,0,0,0,0|1,0,0]=3 2773 B14R2.203 Cc1ccc2ncccc2c1N[13CH3] 34a_100011933972_200025704644 [0,2,0,0,0,0|1,0,0]=3 2774 B14R2.203 Cc1cnc2ccccc2c1S[13CH3] 62a_200025704644_100000092342 [0,2,0,0,0,0|1,0,0]=3 2775 B14R2.203 O=Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010090029 [0,2,0,0,0,0|0,0,1]=3 2776 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,2,0,0,0,0|0,0,0]=2 2777 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,2,0,0,0,0|0,0,0]=2 2778 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,2,0,0,0,0|0,0,0]=2 2779 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,2,0,0,0,0|0,0,0]=2 2780 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,2,0,0,0,0|0,0,0]=2 2781 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,2,0,0,0,0|0,0,0]=2 2782 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,2,0,0,0,0|1,0,0]=3 2783 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,2,0,0,0,0|1,0,0]=3 2784 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,2,0,0,0,0|1,0,0]=3 2785 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,2,0,0,0,0|0,0,0]=2 2786 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,2,0,0,0,0|0,0,0]=2 2787 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,2,0,0,0,0|0,0,0]=2 2788 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,2,0,0,0,0|0,0,0]=2 2789 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,2,0,0,0,0|0,0,0]=2 2790 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200009995563_200025704644 [0,2,0,0,0,0|1,0,0]=3 2791 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200025704644_200009995563 [0,2,0,0,0,0|1,0,0]=3 2792 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)F 62a_100010272212_200025704644 [0,2,0,0,0,0|1,0,0]=3 2793 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)F 62a_200025704644_100010272212 [0,2,0,0,0,0|1,0,0]=3 2794 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)N 62a_100010245214_200025704644 [0,2,0,0,0,0|1,0,0]=3 2795 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)N 62a_200025704644_100010245214 [0,2,0,0,0,0|1,0,0]=3 2796 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)F 62a_200015767032_200025704644 [0,2,0,0,0,0|1,0,0]=3 2797 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)F 62a_200025704644_200015767032 [0,2,0,0,0,0|1,0,0]=3 2798 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)O 62a_200025704644_200010115057 [0,2,0,0,0,0|1,0,0]=3 2799 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [0,2,0,0,0,0|1,0,0]=3 2800 B14R2.203 [13CH3]Sc1c(ccc2c1nccn2)N 62a_100000729981_200025704644 [0,2,0,0,0,0|2,0,0]=4 2801 B14R2.203 [13CH3]Sc1c(ccc2c1nccn2)N 62a_200025704644_100000729981 [0,2,0,0,0,0|2,0,0]=4 2802 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200010179490_200025704644 [0,2,0,0,0,0|1,0,0]=3 2803 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200025704644_200010179490 [0,2,0,0,0,0|1,0,0]=3 2804 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_100009995561_200025704644 [0,2,0,0,0,0|1,0,0]=3 2805 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_200025704644_100012243074 [0,2,0,0,0,0|1,0,0]=3 2806 B14R2.203 [13CH3]Sc1c(cnc2c1nccc2)N 62a_200025704644_100009889961 [0,2,0,0,0,0|2,0,0]=4 2807 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_100009994184_200025704644 [0,2,0,0,0,0|1,0,0]=3 2808 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_200025704644_100009994184 [0,2,0,0,0,0|1,0,0]=3 2809 B14R2.4513 Cc1ccc2occ(c(=O)c2c1)O 271570a_203496583355_200010005421 [0,2,0,0,0,0|2,0,0]=4 2810 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,2,0,0,0,0|1,0,0]=3 2811 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,2,0,0,0,0|2,0,0]=4 2812 B14R2.4513 Cn1ccc2ccc(cc2c1=O)O 271570a_203496583355_100010371002 [0,2,0,0,0,0|2,0,0]=4 2813 B14R2.4513 O=c1c(c[nH]c2c1cc(cc2)Br)O 271570a_203496583355_100012348040 [0,2,0,0,0,0|2,0,0]=4 2814 B14R2.4513 O=c1c(coc2c1cc(cc2)Cl)O 271570a_203496583355_200010204847 [0,2,0,0,0,0|2,0,0]=4 2815 B14R2.4513 O=c1c(coc2c1cc(cc2)F)O 271570a_203496583355_200009813772 [0,2,0,0,0,0|2,0,0]=4 2816 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,2,0,0,0,0|1,0,0]=3 2817 B14R2.7724 Cn1cc(c2ccccc2c1=O)O 271570a_203496583355_100000239302 [0,2,0,0,0,0|2,0,0]=4 2818 B14R2.7724 Oc1cc(c2cccnc2c1O)Cl 271570a_203496583355_100000211503 [0,2,0,0,0,0|2,0,0]=4 2819 B14R2.7724 Oc1cc(c2ncccc2c1F)F 271570a_203496583355_200009817093 [0,2,0,0,0,0|2,0,0]=4 2820 B14R2.8038 Cc1c(ccc2c1nccc2O)F 271570a_203496583355_100011516163 [0,2,0,0,0,0|1,0,0]=3 2821 B14R2.8038 Cc1ccc2c(ccnc2c1C)O 271570a_203496583355_100011310510 [0,2,0,0,0,0|1,0,0]=3 2822 B14R2.8038 Cc1ccc2c(nccc2c1O)N 271570a_203496583355_100010201667 [0,2,0,0,0,0|2,0,0]=4 2823 B14R2.8038 O=c1c(c[nH]c2c1cccc2F)O 271570a_203496583355_100012351745 [0,2,0,0,0,0|2,0,0]=4 2824 B14R2.8038 O=c1cc[nH]c2c1ccc(c2F)O 271570a_203496583355_100022010583 [0,2,0,0,0,0|2,0,0]=4 2825 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,2,0,0,0,0|1,0,0]=3 2826 B14R2.8188 Oc1c(cc2ncccc2c1F)F 271570a_203496583355_100010163946 [0,2,0,0,0,0|2,0,0]=4 2827 B14R2.28523 Cc1c(ccc2c1c(=O)[nH]cn2)O 271570a_203496583355_206256548267 [0,2,0,0,0,0|2,0,0]=4 2828 B14R2.28523 Cn1ccc2cccc(c2c1=O)O 271570a_203496583355_100010332868 [0,2,0,0,0,0|2,0,0]=4 2829 B14R2.29369 Cc1ccc2c(c(ccc2n1)F)O 271570a_203496583355_100010730238 [0,2,0,0,0,0|2,0,0]=4 2830 B14R2.29369 Cc1ccc2c(c(ccc2n1)O)O 271570a_203496583355_100010269489 [0,2,0,0,0,0|2,0,0]=4 2831 B14R2.29369 Cn1ccc2cc(ccc2c1=O)O 271570a_203496583355_100010246303 [0,2,0,0,0,0|2,0,0]=4 2832 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,2,0,0,0,0|1,0,0]=3 2833 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [0,2,0,0,0,0|1,0,0]=3 2834 B14R2.142 C=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100011290941_100000746092 [0,2,0,0,0,0|2,0,0]=4 2835 B14R2.142 C=Cc1ccc2cccc(c2c1)C 271570a_100011290941_100010089936 [0,2,0,0,0,0|0,0,0]=2 2836 B14R2.142 C=Cc1ccc2cccc(c2c1)N 271570a_100011290941_100010090012 [0,2,0,0,0,0|1,0,0]=3 2837 B14R2.142 C=Cc1ccc2cccc(c2c1)O 271570a_100011290941_100010089991 [0,2,0,0,0,0|1,0,0]=3 2838 B14R2.142 C=Cc1ccc2cccc(c2n1)C 271570a_100011290941_100012002297 [0,2,0,0,0,0|1,0,0]=3 2839 B14R2.142 C=Cc1ccc2cccc(c2n1)F 271570a_100011290941_100012017632 [0,2,0,0,0,0|2,0,0]=4 2840 B14R2.142 C=Cc1ccc2cccc(c2n1)O 271570a_100011290941_100010153751 [0,2,0,0,0,0|2,0,0]=4 2841 B14R2.142 C=Cc1ccc2ccnc(c2c1)C 271570a_100011290941_200010739692 [0,2,0,0,0,0|1,0,0]=3 2842 B14R2.142 C=Cc1ccc2ccnc(c2c1)N 271570a_100011290941_100012352255 [0,2,0,0,0,0|2,0,0]=4 2843 B14R2.142 C=Cc1ccc2ccnc(c2c1)O 271570a_100011290941_100000010956 [0,2,0,0,0,0|2,0,0]=4 2844 B14R2.142 C=Cc1ccc2cncc(c2c1)O 271570a_100011290941_100010136424 [0,2,0,0,0,0|2,0,0]=4 2845 B14R2.142 C=Cc1ccc2nccc(c2c1)C 271570a_100011290941_100009817033 [0,2,0,0,0,0|1,0,0]=3 2846 B14R2.142 C=Cc1ccc2nccc(c2c1)Cl 271570a_100011290941_100011310491 [0,2,0,0,0,0|2,0,0]=4 2847 B14R2.142 C=Cc1ccc2nccc(c2c1)N 271570a_100011290941_100011620571 [0,2,0,0,0,0|2,0,0]=4 2848 B14R2.142 C=Cc1ccc2ncnc(c2c1)C 271570a_100011290941_100000700471 [0,2,0,0,0,0|2,0,0]=4 2849 B14R2.142 C=Cc1ccc2occc(=O)c2c1 271570a_100011290941_100009813387 [0,2,0,0,0,0|2,0,0]=4 2850 B14R2.142 C=Cc1cnc2cccc(c2c1)N 271570a_100011290941_100010264086 [0,2,0,0,0,0|2,0,0]=4 2851 B14R2.142 C=Cc1cnc2cccc(c2c1)O 271570a_100011290941_200010153752 [0,2,0,0,0,0|2,0,0]=4 2852 B14R2.142 CNc1ccc2cccc(c2c1)O 34a_100132313934_200000210301 [0,2,0,0,0,0|1,0,0]=3 2853 B14R2.142 CNc1ccc2cccc(c2n1)C 27a_100102657272_100012002297 [0,2,0,0,0,0|1,0,0]=3 2854 B14R2.142 CNc1ccc2cccc(c2n1)O 27a_100102657272_100010153751 [0,2,0,0,0,0|2,0,0]=4 2855 B14R2.142 CNc1ccc2nccc(c2c1)Br 34a_100010074812_200000210301 [0,2,0,0,0,0|2,0,0]=4 2856 B14R2.142 CNc1ccc2nccc(c2c1)Cl 34a_100009879071_200000210301 [0,2,0,0,0,0|2,0,0]=4 2857 B14R2.142 CNc1ccc2ncnc(c2c1)C 27a_100102657272_100000700471 [0,2,0,0,0,0|2,0,0]=4 2858 B14R2.142 CNc1ccc2occc(=O)c2c1 34a_100000088200_200000210301 [0,2,0,0,0,0|2,0,0]=4 2859 B14R2.142 COc1cc2c(cccc2cn1)O 271570a_203496583355_100010126886 [0,2,0,0,0,0|2,0,0]=4 2860 B14R2.142 COc1ccc2cccc(c2c1)Br 34a_100010169565_200000210301 [0,2,0,0,0,0|1,0,0]=3 2861 B14R2.142 COc1ccc2cccc(c2c1)Br 7a_100010169565_200000210301 [0,2,0,0,0,0|1,0,0]=3 2862 B14R2.142 COc1ccc2cccc(c2c1)C 34a_200000091600_200000210301 [0,2,0,0,0,0|0,0,0]=2 2863 B14R2.142 COc1ccc2cccc(c2c1)C 7a_200000091600_200000210301 [0,2,0,0,0,0|0,0,0]=2 2864 B14R2.142 COc1ccc2cccc(c2c1)F 34a_100000091619_200000210301 [0,2,0,0,0,0|1,0,0]=3 2865 B14R2.142 COc1ccc2cccc(c2c1)F 7a_100000091619_200000210301 [0,2,0,0,0,0|1,0,0]=3 2866 B14R2.142 COc1ccc2cccc(c2c1)N 34a_100000034012_200000210301 [0,2,0,0,0,0|1,0,0]=3 2867 B14R2.142 COc1ccc2cccc(c2c1)N 7a_100000034012_200000210301 [0,2,0,0,0,0|1,0,0]=3 2868 B14R2.142 COc1ccc2cccc(c2c1)O 271570a_203496583355_100010178974 [0,2,0,0,0,0|1,0,0]=3 2869 B14R2.142 COc1ccc2ccnc(c2c1)Cl 34a_200009844553_200000210301 [0,2,0,0,0,0|2,0,0]=4 2870 B14R2.142 COc1ccc2ccnc(c2c1)Cl 7a_200009844553_200000210301 [0,2,0,0,0,0|2,0,0]=4 2871 B14R2.142 COc1ccc2ccnc(c2c1)O 271570a_203496583355_100012348807 [0,2,0,0,0,0|2,0,0]=4 2872 B14R2.142 COc1ccc2nccc(c2c1)Br 34a_100010204251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2873 B14R2.142 COc1ccc2nccc(c2c1)Br 7a_100010204251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2874 B14R2.142 COc1ccc2nccc(c2c1)Cl 34a_100000075933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2875 B14R2.142 COc1ccc2nccc(c2c1)Cl 7a_100000075933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2876 B14R2.142 COc1ccc2nccc(c2c1)O 271570a_203496583355_100011310462 [0,2,0,0,0,0|2,0,0]=4 2877 B14R2.142 CSc1ccc2[nH]ccc(=O)c2c1 62a_200000210301_100000746092 [0,2,0,0,0,0|2,0,0]=4 2878 B14R2.142 CSc1ccc2cccc(c2c1)C 62a_200000210301_100010089936 [0,2,0,0,0,0|0,0,0]=2 2879 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_100010090012_200000210301 [0,2,0,0,0,0|1,0,0]=3 2880 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_200000210301_100010090012 [0,2,0,0,0,0|1,0,0]=3 2881 B14R2.142 CSc1ccc2cccc(c2c1)O 62a_200000210301_100010089991 [0,2,0,0,0,0|1,0,0]=3 2882 B14R2.142 CSc1ccc2cccc(c2n1)C 62a_200000210301_100012002297 [0,2,0,0,0,0|1,0,0]=3 2883 B14R2.142 CSc1ccc2cccc(c2n1)F 62a_200000210301_100012017632 [0,2,0,0,0,0|2,0,0]=4 2884 B14R2.142 CSc1ccc2cccc(c2n1)O 62a_200000210301_100000013812 [0,2,0,0,0,0|2,0,0]=4 2885 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200000210301_200010739692 [0,2,0,0,0,0|1,0,0]=3 2886 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200010739692_200000210301 [0,2,0,0,0,0|1,0,0]=3 2887 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_100012352255_200000210301 [0,2,0,0,0,0|2,0,0]=4 2888 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_200000210301_100012352255 [0,2,0,0,0,0|2,0,0]=4 2889 B14R2.142 CSc1ccc2ccnc(c2c1)O 62a_200000210301_100000010956 [0,2,0,0,0,0|2,0,0]=4 2890 B14R2.142 CSc1ccc2cncc(c2c1)O 62a_200000210301_100010136424 [0,2,0,0,0,0|2,0,0]=4 2891 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_100009817033_200000210301 [0,2,0,0,0,0|1,0,0]=3 2892 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_200000210301_100009817033 [0,2,0,0,0,0|1,0,0]=3 2893 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_100011310491_200000210301 [0,2,0,0,0,0|2,0,0]=4 2894 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_200000210301_100011310491 [0,2,0,0,0,0|2,0,0]=4 2895 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_100011620571_200000210301 [0,2,0,0,0,0|2,0,0]=4 2896 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_200000210301_100011620571 [0,2,0,0,0,0|2,0,0]=4 2897 B14R2.142 CSc1ccc2ncnc(c2c1)C 62a_100000700471_200000210301 [0,2,0,0,0,0|2,0,0]=4 2898 B14R2.142 CSc1ccc2ncnc(c2c1)C 62a_200000210301_100000700471 [0,2,0,0,0,0|2,0,0]=4 2899 B14R2.142 CSc1ccc2occc(=O)c2c1 62a_200000210301_100009813387 [0,2,0,0,0,0|2,0,0]=4 2900 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_100010264086_200000210301 [0,2,0,0,0,0|2,0,0]=4 2901 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_200000210301_100010264086 [0,2,0,0,0,0|2,0,0]=4 2902 B14R2.142 CSc1cnc2cccc(c2c1)O 62a_200000210301_200010153752 [0,2,0,0,0,0|2,0,0]=4 2903 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 34a_200000091600_200025704644 [0,2,0,0,0,0|0,0,0]=2 2904 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 7a_200000091600_200025704644 [0,2,0,0,0,0|0,0,0]=2 2905 B14R2.142 Cc1cccc2c1cc(cc2)S[13CH3] 62a_200025704644_100010089936 [0,2,0,0,0,0|0,0,0]=2 2906 B14R2.142 Cc1cccc2c1nc(cc2)S[13CH3] 62a_200025704644_100012002297 [0,2,0,0,0,0|1,0,0]=3 2907 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_100009817033_200025704644 [0,2,0,0,0,0|1,0,0]=3 2908 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_100009817033 [0,2,0,0,0,0|1,0,0]=3 2909 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200010739692_200025704644 [0,2,0,0,0,0|1,0,0]=3 2910 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200025704644_200010739692 [0,2,0,0,0,0|1,0,0]=3 2911 B14R2.142 Cc1ncnc2c1cc(cc2)S[13CH3] 62a_100000700471_200025704644 [0,2,0,0,0,0|2,0,0]=4 2912 B14R2.142 Cc1ncnc2c1cc(cc2)S[13CH3] 62a_200025704644_100000700471 [0,2,0,0,0,0|2,0,0]=4 2913 B14R2.142 N#Cc1ccc2nccc(c2c1)O 271570a_203496583355_100010204249 [0,2,0,0,0,0|2,0,0]=4 2914 B14R2.142 O=Cc1ccc2ccnc(c2c1)O 271570a_203496583355_100000094387 [0,2,0,0,0,0|2,0,0]=4 2915 B14R2.142 [13CH3]Nc1ccc2cccc(c2c1)O 34a_100132313934_200025704644 [0,2,0,0,0,0|1,0,0]=3 2916 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Br 34a_100010074812_200025704644 [0,2,0,0,0,0|2,0,0]=4 2917 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Cl 34a_100009879071_200025704644 [0,2,0,0,0,0|2,0,0]=4 2918 B14R2.142 [13CH3]Nc1ccc2occc(=O)c2c1 34a_100000088200_200025704644 [0,2,0,0,0,0|2,0,0]=4 2919 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 34a_100010169565_200025704644 [0,2,0,0,0,0|1,0,0]=3 2920 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 7a_100010169565_200025704644 [0,2,0,0,0,0|1,0,0]=3 2921 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 34a_100000091619_200025704644 [0,2,0,0,0,0|1,0,0]=3 2922 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 7a_100000091619_200025704644 [0,2,0,0,0,0|1,0,0]=3 2923 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 34a_100000034012_200025704644 [0,2,0,0,0,0|1,0,0]=3 2924 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 7a_100000034012_200025704644 [0,2,0,0,0,0|1,0,0]=3 2925 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_200025704644 [0,2,0,0,0,0|2,0,0]=4 2926 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_200025704644 [0,2,0,0,0,0|2,0,0]=4 2927 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 34a_100010204251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2928 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 7a_100010204251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2929 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 34a_100000075933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2930 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 7a_100000075933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2931 B14R2.142 [13CH3]Sc1ccc2[nH]ccc(=O)c2c1 62a_200025704644_100000746092 [0,2,0,0,0,0|2,0,0]=4 2932 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_100010090012_200025704644 [0,2,0,0,0,0|1,0,0]=3 2933 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_200025704644_100010090012 [0,2,0,0,0,0|1,0,0]=3 2934 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)O 62a_200025704644_100010089991 [0,2,0,0,0,0|1,0,0]=3 2935 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)F 62a_200025704644_100012017632 [0,2,0,0,0,0|2,0,0]=4 2936 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)O 62a_200025704644_100000013812 [0,2,0,0,0,0|2,0,0]=4 2937 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_100012352255_200025704644 [0,2,0,0,0,0|2,0,0]=4 2938 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_200025704644_100012352255 [0,2,0,0,0,0|2,0,0]=4 2939 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)O 62a_200025704644_100000010956 [0,2,0,0,0,0|2,0,0]=4 2940 B14R2.142 [13CH3]Sc1ccc2cncc(c2c1)O 62a_200025704644_100010136424 [0,2,0,0,0,0|2,0,0]=4 2941 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_100011310491_200025704644 [0,2,0,0,0,0|2,0,0]=4 2942 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_200025704644_100011310491 [0,2,0,0,0,0|2,0,0]=4 2943 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_100011620571_200025704644 [0,2,0,0,0,0|2,0,0]=4 2944 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_200025704644_100011620571 [0,2,0,0,0,0|2,0,0]=4 2945 B14R2.142 [13CH3]Sc1ccc2occc(=O)c2c1 62a_200025704644_100009813387 [0,2,0,0,0,0|2,0,0]=4 2946 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_100010264086_200025704644 [0,2,0,0,0,0|2,0,0]=4 2947 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_200025704644_100010264086 [0,2,0,0,0,0|2,0,0]=4 2948 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)O 62a_200025704644_200010153752 [0,2,0,0,0,0|2,0,0]=4 2949 B14R2.8045 Cc1cc(c2cccc(c2n1)C)O 271570a_203496583355_100000757406 [0,2,0,0,0,0|1,0,0]=3 2950 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O 271570a_203496583355_100000689329 [0,2,0,0,0,0|2,0,0]=4 2951 B14R2.8045 Cc1cc(c2cccc(c2n1)O)O 271570a_203496583355_200011333620 [0,2,0,0,0,0|2,0,0]=4 2952 B14R2.8045 Cc1cc(c2nccc(c2c1)O)C 271570a_203496583355_100011310474 [0,2,0,0,0,0|1,0,0]=3 2953 B14R2.8045 Cc1cc(nc2c1cccc2C)O 271570a_203496583355_100000008058 [0,2,0,0,0,0|1,0,0]=3 2954 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,2,0,0,0,0|2,0,0]=4 2955 B14R2.8045 O=c1cc[nH]c2c1cc(cc2F)O 271570a_203496583355_100000749450 [0,2,0,0,0,0|2,0,0]=4 2956 B14R2.8045 Oc1ccnc2c1cc(cc2F)F 271570a_203496583355_100000751274 [0,2,0,0,0,0|2,0,0]=4 2957 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,2,0,0,0,0|1,0,0]=3 2958 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,2,0,0,0,0|2,0,0]=4 2959 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O 271570a_203496583355_100000689691 [0,2,0,0,0,0|2,0,0]=4 2960 B14R2.8235 Cc1cc(c2cc(ccc2n1)O)N 271570a_203496583355_100000238323 [0,2,0,0,0,0|2,0,0]=4 2961 B14R2.8235 Cc1cc(c2nc(ccc2c1)O)C 271570a_203496583355_200012017542 [0,2,0,0,0,0|1,0,0]=3 2962 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O 271570a_203496583355_200000079853 [0,2,0,0,0,0|1,0,0]=3 2963 B14R2.8235 Cc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100011333704 [0,2,0,0,0,0|2,0,0]=4 2964 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,2,0,0,0,0|2,0,0]=4 2965 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,2,0,0,0,0|2,0,0]=4 2966 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)F)O 271570a_203496583355_100012034177 [0,2,0,0,0,0|2,0,0]=4 2967 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)O)Cl 271570a_203496583355_200014262637 [0,2,0,0,0,0|2,0,0]=4 2968 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)O)F 271570a_203496583355_200012639799 [0,2,0,0,0,0|2,0,0]=4 2969 B14R2.8235 Oc1cc(c2cc(ccc2c1)O)F 271570a_203496583355_100010201084 [0,2,0,0,0,0|1,0,0]=3 2970 B14R2.8751 Cc1ccc2c(ccc(c2n1)N)O 271570a_203496583355_100012970290 [0,2,0,0,0,0|2,0,0]=4 2971 B14R2.8751 O=c1[nH]cc(c2c1ccc(c2)F)O 271570a_203496583355_100010191626 [0,2,0,0,0,0|2,0,0]=4 2972 B14R2.11684 C=Cc1cccc2c1[nH]c(=O)cc2 271570a_100011290941_100000688906 [0,2,0,0,0,0|1,0,1]=4 2973 B14R2.11684 C=Cc1cccc2c1cc(cc2)O 271570a_100011290941_100010169565 [0,2,0,0,0,0|0,0,1]=3 2974 B14R2.11684 C=Cc1cccc2c1nc(cc2)C 271570a_100011290941_100011934484 [0,2,0,0,0,0|1,0,1]=4 2975 B14R2.11684 C=Cc1cccc2c1nc(cc2)N 271570a_100011290941_100000687151 [0,2,0,0,0,0|1,0,1]=4 2976 B14R2.11684 C=Cc1ccnc2c1cc(cc2)Br 271570a_100011290941_100010189052 [0,2,0,0,0,0|1,0,1]=4 2977 B14R2.11684 C=Cc1ccnc2c1cc(cc2)C 271570a_100011290941_100000751279 [0,2,0,0,0,0|1,0,1]=4 2978 B14R2.11684 C=Cc1ccnc2c1cc(cc2)F 271570a_100011290941_100011217270 [0,2,0,0,0,0|1,0,1]=4 2979 B14R2.11684 C=Cc1ccnc2c1cc(cc2)N 271570a_100011290941_100009879071 [0,2,0,0,0,0|1,0,1]=4 2980 B14R2.11684 C=Cc1ccnc2c1cc(cc2)O 271570a_100011290941_100000075933 [0,2,0,0,0,0|1,0,1]=4 2981 B14R2.11684 C=Cc1cncc2c1cc(cc2)C 271570a_100011290941_100009817139 [0,2,0,0,0,0|1,0,1]=4 2982 B14R2.11684 C=Cc1nccc2c1cc(cc2)F 271570a_100011290941_100010202866 [0,2,0,0,0,0|1,0,1]=4 2983 B14R2.11684 C=Cc1nccc2c1cc(cc2)O 271570a_100011290941_200009844553 [0,2,0,0,0,0|1,0,1]=4 2984 B14R2.11684 CNc1cccc2c1cc(cc2)Br 34a_100010090012_200000210301 [0,2,0,0,0,0|0,0,0]=2 2985 B14R2.11684 CNc1cccc2c1cc(cc2)O 34a_100000034012_200000210301 [0,2,0,0,0,0|0,0,0]=2 2986 B14R2.11684 CNc1cccc2c1cc(cn2)Br 34a_100010264086_200000210301 [0,2,0,0,0,0|1,0,0]=3 2987 B14R2.11684 CNc1cccc2c1cc(nn2)C 34a_100000033955_200000210301 [0,2,0,0,0,0|2,0,0]=4 2988 B14R2.11684 CNc1cccc2c1nc(cc2)C 34a_100000019871_200000210301 [0,2,0,0,0,0|1,0,0]=3 2989 B14R2.11684 CNc1ccnc2c1cc(cc2)Br 27a_100102657272_100010189052 [0,2,0,0,0,0|1,0,0]=3 2990 B14R2.11684 CNc1ccnc2c1cc(cc2)C 27a_100102657272_100000751279 [0,2,0,0,0,0|1,0,0]=3 2991 B14R2.11684 CNc1ccnc2c1cc(cc2)F 27a_100102657272_100011217270 [0,2,0,0,0,0|1,0,0]=3 2992 B14R2.11684 CNc1ccnc2c1cc(cc2)N 27a_100102657272_100009879071 [0,2,0,0,0,0|1,0,0]=3 2993 B14R2.11684 CNc1ccnc2c1cc(cc2)O 271570a_203496583355_200011620572 [0,2,0,0,0,0|1,0,0]=3 2994 B14R2.11684 CNc1ccnc2c1nc(cc2)C 27a_100102657272_100009889967 [0,2,0,0,0,0|2,0,0]=4 2995 B14R2.11684 CNc1ccnc2c1nc(cc2)F 27a_100102657272_100000719316 [0,2,0,0,0,0|2,0,0]=4 2996 B14R2.11684 CNc1nccc2c1cc(cc2)F 27a_100102657272_100010202866 [0,2,0,0,0,0|1,0,0]=3 2997 B14R2.11684 CNc1ncnc2c1cc(cc2)C 27a_100102657272_100000743341 [0,2,0,0,0,0|2,0,0]=4 2998 B14R2.11684 CNc1ncnc2c1cc(cc2)F 27a_100102657272_100000743340 [0,2,0,0,0,0|2,0,0]=4 2999 B14R2.11684 COc1cccc2c1cc(cc2)Br 34a_100010089991_200000210301 [0,2,0,0,0,0|0,0,0]=2 3000 B14R2.11684 COc1cccc2c1cc(cc2)Br 7a_100010089991_200000210301 [0,2,0,0,0,0|0,0,0]=2 3001 B14R2.11684 COc1cccc2c1cc(cc2)C 34a_100000040781_200000210301 [0,2,0,0,0,0|0,0,0]=2 3002 B14R2.11684 COc1cccc2c1cc(cc2)C 7a_100000040781_200000210301 [0,2,0,0,0,0|0,0,0]=2 3003 B14R2.11684 COc1cccc2c1cc(cc2)Cl 34a_100009840344_200000210301 [0,2,0,0,0,0|0,0,0]=2 3004 B14R2.11684 COc1cccc2c1cc(cc2)Cl 7a_100009840344_200000210301 [0,2,0,0,0,0|0,0,0]=2 3005 B14R2.11684 COc1cccc2c1cc(cc2)F 34a_100009881884_200000210301 [0,2,0,0,0,0|0,0,0]=2 3006 B14R2.11684 COc1cccc2c1cc(cc2)F 7a_100009881884_200000210301 [0,2,0,0,0,0|0,0,0]=2 3007 B14R2.11684 COc1cccc2c1cc(cc2)N 34a_100132313934_200000210301 [0,2,0,0,0,0|0,0,0]=2 3008 B14R2.11684 COc1cccc2c1cc(cc2)N 7a_100132313934_200000210301 [0,2,0,0,0,0|0,0,0]=2 3009 B14R2.11684 COc1cccc2c1cc(cn2)Br 34a_200010153752_200000210301 [0,2,0,0,0,0|1,0,0]=3 3010 B14R2.11684 COc1cccc2c1cc(cn2)Br 7a_200010153752_200000210301 [0,2,0,0,0,0|1,0,0]=3 3011 B14R2.11684 COc1cccc2c1cc(cn2)N 34a_100009853962_200000210301 [0,2,0,0,0,0|1,0,0]=3 3012 B14R2.11684 COc1cccc2c1nc(cc2)Br 34a_100010153751_200000210301 [0,2,0,0,0,0|1,0,0]=3 3013 B14R2.11684 COc1cccc2c1nc(cc2)Br 7a_100010153751_200000210301 [0,2,0,0,0,0|1,0,0]=3 3014 B14R2.11684 COc1cccc2c1nc(cc2)C 34a_100000184714_200000210301 [0,2,0,0,0,0|1,0,0]=3 3015 B14R2.11684 COc1cccc2c1nc(cc2)C 7a_100000184714_200000210301 [0,2,0,0,0,0|1,0,0]=3 3016 B14R2.11684 COc1cccc2c1nc(cc2)Cl 34a_100000013812_200000210301 [0,2,0,0,0,0|1,0,0]=3 3017 B14R2.11684 COc1cccc2c1nc(cc2)Cl 7a_100000013812_200000210301 [0,2,0,0,0,0|1,0,0]=3 3018 B14R2.11684 COc1cccc2c1nc(cc2)N 34a_100000032106_200000210301 [0,2,0,0,0,0|1,0,0]=3 3019 B14R2.11684 COc1cccc2c1nc(cc2)N 7a_100000032106_200000210301 [0,2,0,0,0,0|1,0,0]=3 3020 B14R2.11684 COc1cccc2c1nc(cc2)O 271570a_203496583355_200011787714 [0,2,0,0,0,0|1,0,0]=3 3021 B14R2.11684 COc1cccc2c1nc(cn2)O 271570a_203496583355_100010783442 [0,2,0,0,0,0|2,0,0]=4 3022 B14R2.11684 COc1cccc2c1nc(nc2)Cl 34a_100010674811_200000210301 [0,2,0,0,0,0|2,0,0]=4 3023 B14R2.11684 COc1cccc2c1nc(nc2)Cl 7a_100010674811_200000210301 [0,2,0,0,0,0|2,0,0]=4 3024 B14R2.11684 COc1cccc2c1nc(nc2)O 271570a_203496583355_200000095598 [0,2,0,0,0,0|2,0,0]=4 3025 B14R2.11684 COc1ccnc2c1cc(cc2)C 34a_200011310529_200000210301 [0,2,0,0,0,0|1,0,0]=3 3026 B14R2.11684 COc1ccnc2c1cc(cc2)F 34a_100000004104_200000210301 [0,2,0,0,0,0|1,0,0]=3 3027 B14R2.11684 COc1ccnc2c1cc(cc2)O 271570a_203496583355_100009816692 [0,2,0,0,0,0|1,0,0]=3 3028 B14R2.11684 COc1cncc2c1cc(cc2)Br 34a_100010136424_200000210301 [0,2,0,0,0,0|1,0,0]=3 3029 B14R2.11684 COc1cncc2c1cc(cc2)Br 7a_100010136424_200000210301 [0,2,0,0,0,0|1,0,0]=3 3030 B14R2.11684 COc1nccc2c1cc(cc2)Br 34a_100000010956_200000210301 [0,2,0,0,0,0|1,0,0]=3 3031 B14R2.11684 COc1nccc2c1cc(cc2)Cl 34a_100000005406_200000210301 [0,2,0,0,0,0|1,0,0]=3 3032 B14R2.11684 COc1nccc2c1cc(cc2)O 271570a_203496583355_200011098638 [0,2,0,0,0,0|1,0,0]=3 3033 B14R2.11684 COc1ncnc2c1cc(cc2)O 271570a_203496583355_200009811869 [0,2,0,0,0,0|2,0,0]=4 3034 B14R2.11684 CSc1cccc2c1[nH]c(=O)cc2 62a_200000210301_100000688906 [0,2,0,0,0,0|1,0,0]=3 3035 B14R2.11684 CSc1cccc2c1cc(cc2)O 62a_200000210301_100010169565 [0,2,0,0,0,0|0,0,0]=2 3036 B14R2.11684 CSc1cccc2c1nc(cc2)C 62a_200000210301_100011934484 [0,2,0,0,0,0|1,0,0]=3 3037 B14R2.11684 CSc1cccc2c1nc(cc2)Cl 62a_200000210301_100012034269 [0,2,0,0,0,0|1,0,0]=3 3038 B14R2.11684 CSc1cccc2c1nc(cc2)N 62a_100000687151_200000210301 [0,2,0,0,0,0|1,0,0]=3 3039 B14R2.11684 CSc1cccc2c1nc(nc2)N 62a_200000210301_200010988910 [0,2,0,0,0,0|2,0,0]=4 3040 B14R2.11684 CSc1cccc2c1nc(nc2)N 62a_200010988910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3041 B14R2.11684 CSc1ccnc2c1cc(cc2)Br 62a_100010189052_200000210301 [0,2,0,0,0,0|1,0,0]=3 3042 B14R2.11684 CSc1ccnc2c1cc(cc2)Br 62a_200000210301_100010189052 [0,2,0,0,0,0|1,0,0]=3 3043 B14R2.11684 CSc1ccnc2c1cc(cc2)C 62a_200000210301_100000751279 [0,2,0,0,0,0|1,0,0]=3 3044 B14R2.11684 CSc1ccnc2c1cc(cc2)F 62a_100011217270_200000210301 [0,2,0,0,0,0|1,0,0]=3 3045 B14R2.11684 CSc1ccnc2c1cc(cc2)F 62a_200000210301_100011217270 [0,2,0,0,0,0|1,0,0]=3 3046 B14R2.11684 CSc1ccnc2c1cc(cc2)N 62a_100010074812_200000210301 [0,2,0,0,0,0|1,0,0]=3 3047 B14R2.11684 CSc1ccnc2c1cc(cc2)N 62a_200000210301_100009879071 [0,2,0,0,0,0|1,0,0]=3 3048 B14R2.11684 CSc1ccnc2c1cc(cc2)O 62a_200000210301_100000075933 [0,2,0,0,0,0|1,0,0]=3 3049 B14R2.11684 CSc1ccnc2c1nc(cc2)C 62a_200000210301_100009889967 [0,2,0,0,0,0|2,0,0]=4 3050 B14R2.11684 CSc1ccnc2c1nc(cc2)F 62a_100000719316_200000210301 [0,2,0,0,0,0|2,0,0]=4 3051 B14R2.11684 CSc1ccnc2c1nc(cc2)F 62a_200000210301_100000719316 [0,2,0,0,0,0|2,0,0]=4 3052 B14R2.11684 CSc1cncc2c1cc(cc2)C 62a_200000210301_100009817139 [0,2,0,0,0,0|1,0,0]=3 3053 B14R2.11684 CSc1cncc2c1nc(cc2)O 62a_200000210301_100009812673 [0,2,0,0,0,0|2,0,0]=4 3054 B14R2.11684 CSc1nccc2c1cc(cc2)F 62a_100010202866_200000210301 [0,2,0,0,0,0|1,0,0]=3 3055 B14R2.11684 CSc1nccc2c1cc(cc2)F 62a_200000210301_100010202866 [0,2,0,0,0,0|1,0,0]=3 3056 B14R2.11684 CSc1nccc2c1cc(cc2)O 62a_200000210301_200009844553 [0,2,0,0,0,0|1,0,0]=3 3057 B14R2.11684 CSc1ncnc2c1cc(cc2)C 62a_200000210301_100000743341 [0,2,0,0,0,0|2,0,0]=4 3058 B14R2.11684 CSc1ncnc2c1cc(cc2)F 62a_200000210301_100000743340 [0,2,0,0,0,0|2,0,0]=4 3059 B14R2.11684 Cc1cc2c(cccc2nn1)N[13CH3] 34a_100000033955_200025704644 [0,2,0,0,0,0|2,0,0]=4 3060 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 34a_100000040781_200025704644 [0,2,0,0,0,0|0,0,0]=2 3061 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 7a_100000040781_200025704644 [0,2,0,0,0,0|0,0,0]=2 3062 B14R2.11684 Cc1ccc2cccc(c2n1)N[13CH3] 34a_100000019871_200025704644 [0,2,0,0,0,0|1,0,0]=3 3063 B14R2.11684 Cc1ccc2cccc(c2n1)O[13CH3] 34a_100000184714_200025704644 [0,2,0,0,0,0|1,0,0]=3 3064 B14R2.11684 Cc1ccc2cccc(c2n1)O[13CH3] 7a_100000184714_200025704644 [0,2,0,0,0,0|1,0,0]=3 3065 B14R2.11684 Cc1ccc2cccc(c2n1)S[13CH3] 62a_200025704644_100011934484 [0,2,0,0,0,0|1,0,0]=3 3066 B14R2.11684 Cc1ccc2cncc(c2c1)S[13CH3] 62a_200025704644_100009817139 [0,2,0,0,0,0|1,0,0]=3 3067 B14R2.11684 Cc1ccc2nccc(c2c1)O[13CH3] 34a_200011310529_200025704644 [0,2,0,0,0,0|1,0,0]=3 3068 B14R2.11684 Cc1ccc2nccc(c2c1)S[13CH3] 62a_200025704644_100000751279 [0,2,0,0,0,0|1,0,0]=3 3069 B14R2.11684 Cc1ccc2nccc(c2n1)S[13CH3] 62a_200025704644_100009889967 [0,2,0,0,0,0|2,0,0]=4 3070 B14R2.11684 Cc1ccc2ncnc(c2c1)S[13CH3] 62a_200025704644_100000743341 [0,2,0,0,0,0|2,0,0]=4 3071 B14R2.11684 O=Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100010176920 [0,2,0,0,0,0|1,0,1]=4 3072 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)Br 34a_100010090012_200025704644 [0,2,0,0,0,0|0,0,0]=2 3073 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)O 34a_100000034012_200025704644 [0,2,0,0,0,0|0,0,0]=2 3074 B14R2.11684 [13CH3]Nc1cccc2c1cc(cn2)Br 34a_100010264086_200025704644 [0,2,0,0,0,0|1,0,0]=3 3075 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 34a_100010089991_200025704644 [0,2,0,0,0,0|0,0,0]=2 3076 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 7a_100010089991_200025704644 [0,2,0,0,0,0|0,0,0]=2 3077 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 34a_100009840344_200025704644 [0,2,0,0,0,0|0,0,0]=2 3078 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 7a_100009840344_200025704644 [0,2,0,0,0,0|0,0,0]=2 3079 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 34a_100009881884_200025704644 [0,2,0,0,0,0|0,0,0]=2 3080 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 7a_100009881884_200025704644 [0,2,0,0,0,0|0,0,0]=2 3081 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 34a_100132313934_200025704644 [0,2,0,0,0,0|0,0,0]=2 3082 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 7a_100132313934_200025704644 [0,2,0,0,0,0|0,0,0]=2 3083 B14R2.11684 [13CH3]Oc1cccc2c1cc(cn2)Br 34a_200010153752_200025704644 [0,2,0,0,0,0|1,0,0]=3 3084 B14R2.11684 [13CH3]Oc1cccc2c1cc(cn2)Br 7a_200010153752_200025704644 [0,2,0,0,0,0|1,0,0]=3 3085 B14R2.11684 [13CH3]Oc1cccc2c1cc(cn2)N 34a_100009853962_200025704644 [0,2,0,0,0,0|1,0,0]=3 3086 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Br 34a_100010153751_200025704644 [0,2,0,0,0,0|1,0,0]=3 3087 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Br 7a_100010153751_200025704644 [0,2,0,0,0,0|1,0,0]=3 3088 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Cl 34a_100000013812_200025704644 [0,2,0,0,0,0|1,0,0]=3 3089 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Cl 7a_100000013812_200025704644 [0,2,0,0,0,0|1,0,0]=3 3090 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)N 34a_100000032106_200025704644 [0,2,0,0,0,0|1,0,0]=3 3091 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)N 7a_100000032106_200025704644 [0,2,0,0,0,0|1,0,0]=3 3092 B14R2.11684 [13CH3]Oc1cccc2c1nc(nc2)Cl 34a_100010674811_200025704644 [0,2,0,0,0,0|2,0,0]=4 3093 B14R2.11684 [13CH3]Oc1cccc2c1nc(nc2)Cl 7a_100010674811_200025704644 [0,2,0,0,0,0|2,0,0]=4 3094 B14R2.11684 [13CH3]Oc1ccnc2c1cc(cc2)F 34a_100000004104_200025704644 [0,2,0,0,0,0|1,0,0]=3 3095 B14R2.11684 [13CH3]Oc1cncc2c1cc(cc2)Br 34a_100010136424_200025704644 [0,2,0,0,0,0|1,0,0]=3 3096 B14R2.11684 [13CH3]Oc1cncc2c1cc(cc2)Br 7a_100010136424_200025704644 [0,2,0,0,0,0|1,0,0]=3 3097 B14R2.11684 [13CH3]Oc1nccc2c1cc(cc2)Br 34a_100000010956_200025704644 [0,2,0,0,0,0|1,0,0]=3 3098 B14R2.11684 [13CH3]Oc1nccc2c1cc(cc2)Cl 34a_100000005406_200025704644 [0,2,0,0,0,0|1,0,0]=3 3099 B14R2.11684 [13CH3]Sc1cccc2c1[nH]c(=O)cc2 62a_200025704644_100000688906 [0,2,0,0,0,0|1,0,0]=3 3100 B14R2.11684 [13CH3]Sc1cccc2c1cc(cc2)O 62a_200025704644_100010169565 [0,2,0,0,0,0|0,0,0]=2 3101 B14R2.11684 [13CH3]Sc1cccc2c1nc(cc2)Cl 62a_200025704644_100012034269 [0,2,0,0,0,0|1,0,0]=3 3102 B14R2.11684 [13CH3]Sc1cccc2c1nc(cc2)N 62a_100000687151_200025704644 [0,2,0,0,0,0|1,0,0]=3 3103 B14R2.11684 [13CH3]Sc1cccc2c1nc(nc2)N 62a_200010988910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3104 B14R2.11684 [13CH3]Sc1cccc2c1nc(nc2)N 62a_200025704644_200010988910 [0,2,0,0,0,0|2,0,0]=4 3105 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)Br 62a_100010189052_200025704644 [0,2,0,0,0,0|1,0,0]=3 3106 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)Br 62a_200025704644_100010189052 [0,2,0,0,0,0|1,0,0]=3 3107 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)F 62a_100011217270_200025704644 [0,2,0,0,0,0|1,0,0]=3 3108 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)F 62a_200025704644_100011217270 [0,2,0,0,0,0|1,0,0]=3 3109 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)N 62a_100010074812_200025704644 [0,2,0,0,0,0|1,0,0]=3 3110 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)N 62a_200025704644_100009879071 [0,2,0,0,0,0|1,0,0]=3 3111 B14R2.11684 [13CH3]Sc1ccnc2c1cc(cc2)O 62a_200025704644_100000075933 [0,2,0,0,0,0|1,0,0]=3 3112 B14R2.11684 [13CH3]Sc1ccnc2c1nc(cc2)F 62a_100000719316_200025704644 [0,2,0,0,0,0|2,0,0]=4 3113 B14R2.11684 [13CH3]Sc1ccnc2c1nc(cc2)F 62a_200025704644_100000719316 [0,2,0,0,0,0|2,0,0]=4 3114 B14R2.11684 [13CH3]Sc1cncc2c1nc(cc2)O 62a_200025704644_100009812673 [0,2,0,0,0,0|2,0,0]=4 3115 B14R2.11684 [13CH3]Sc1nccc2c1cc(cc2)F 62a_100010202866_200025704644 [0,2,0,0,0,0|1,0,0]=3 3116 B14R2.11684 [13CH3]Sc1nccc2c1cc(cc2)F 62a_200025704644_100010202866 [0,2,0,0,0,0|1,0,0]=3 3117 B14R2.11684 [13CH3]Sc1nccc2c1cc(cc2)O 62a_200025704644_200009844553 [0,2,0,0,0,0|1,0,0]=3 3118 B14R2.11684 [13CH3]Sc1ncnc2c1cc(cc2)F 62a_200025704644_100000743340 [0,2,0,0,0,0|2,0,0]=4 3119 B14R2.28472 Oc1nc2c(cccc2cc1F)O 271570a_203496583355_100010140959 [0,2,0,0,0,0|2,0,0]=4 3120 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [0,2,0,0,0,0|2,0,0]=4 3121 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [0,2,0,0,0,0|1,0,0]=3 3122 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [0,2,0,0,0,0|1,0,0]=3 3123 B14R2.1019 C=Cc1cc(c2ccccc2n1)C 271570a_100011290941_100012354972 [0,2,0,0,0,0|1,0,0]=3 3124 B14R2.1019 C=Cc1cc(c2ccccc2n1)N 271570a_100011290941_100010197925 [0,2,0,0,0,0|2,0,0]=4 3125 B14R2.1019 C=Cc1cc(c2cccnc2c1)N 271570a_100011290941_200010263263 [0,2,0,0,0,0|2,0,0]=4 3126 B14R2.1019 C=Cc1cc(c2cnccc2c1)F 271570a_100011290941_100011068762 [0,2,0,0,0,0|2,0,0]=4 3127 B14R2.1019 C=Cc1cc(c2ncccc2c1)C 271570a_100011290941_100010130319 [0,2,0,0,0,0|1,0,0]=3 3128 B14R2.1019 C=Cc1cc(c2ncccc2c1)Cl 271570a_100011290941_200010369337 [0,2,0,0,0,0|2,0,0]=4 3129 B14R2.1019 C=Cc1cc(c2ncccc2c1)F 271570a_100011290941_100010234705 [0,2,0,0,0,0|2,0,0]=4 3130 B14R2.1019 C=Cc1cc(c2ncccc2c1)N 271570a_100011290941_100009814519 [0,2,0,0,0,0|2,0,0]=4 3131 B14R2.1019 C=Cc1cc(c2ncccc2c1)O 271570a_100011290941_100010248853 [0,2,0,0,0,0|2,0,0]=4 3132 B14R2.1019 C=Cc1cc(c2nccnc2c1)C 271570a_100011290941_100010080486 [0,2,0,0,0,0|2,0,0]=4 3133 B14R2.1019 C=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100011290941_200010000521 [0,2,0,0,0,0|2,0,0]=4 3134 B14R2.1019 C=Cc1cc2ccccc2c(n1)N 271570a_100011290941_100009957331 [0,2,0,0,0,0|2,0,0]=4 3135 B14R2.1019 C=Cc1nc(c2ccccc2n1)C 271570a_100011290941_100000046098 [0,2,0,0,0,0|2,0,0]=4 3136 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,2,0,0,0,0|1,0,0]=3 3137 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,2,0,0,0,0|1,0,0]=3 3138 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [0,2,0,0,0,0|1,0,0]=3 3139 B14R2.1019 CNc1cc(c2cnccc2c1)F 27a_100102657272_100011068762 [0,2,0,0,0,0|2,0,0]=4 3140 B14R2.1019 CNc1cc(c2ncccc2c1)Cl 34a_200009830422_200000210301 [0,2,0,0,0,0|2,0,0]=4 3141 B14R2.1019 CNc1cc(c2nccnc2c1)C 27a_100102657272_100010080486 [0,2,0,0,0,0|2,0,0]=4 3142 B14R2.1019 CNc1nc(c2ccccc2n1)C 27a_100102657272_100000046098 [0,2,0,0,0,0|2,0,0]=4 3143 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,2,0,0,0,0|1,0,0]=3 3144 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,2,0,0,0,0|1,0,0]=3 3145 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,2,0,0,0,0|1,0,0]=3 3146 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,2,0,0,0,0|2,0,0]=4 3147 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [0,2,0,0,0,0|2,0,0]=4 3148 B14R2.1019 COc1cc(c2cnccc2c1)Br 34a_100011009069_200000210301 [0,2,0,0,0,0|2,0,0]=4 3149 B14R2.1019 COc1cc(c2cnccc2c1)Br 7a_100011009069_200000210301 [0,2,0,0,0,0|2,0,0]=4 3150 B14R2.1019 COc1cc(c2ncccc2c1)Cl 34a_100000097192_200000210301 [0,2,0,0,0,0|2,0,0]=4 3151 B14R2.1019 COc1cc(c2ncccc2c1)Cl 7a_100000097192_200000210301 [0,2,0,0,0,0|2,0,0]=4 3152 B14R2.1019 COc1cc(c2ncccc2c1)F 34a_100009888031_200000210301 [0,2,0,0,0,0|2,0,0]=4 3153 B14R2.1019 COc1cc(c2ncccc2c1)F 7a_100009888031_200000210301 [0,2,0,0,0,0|2,0,0]=4 3154 B14R2.1019 COc1cc(c2ncccc2c1)N 34a_100000083691_200000210301 [0,2,0,0,0,0|2,0,0]=4 3155 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [0,2,0,0,0,0|2,0,0]=4 3156 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,2,0,0,0,0|2,0,0]=4 3157 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,2,0,0,0,0|1,0,0]=3 3158 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,2,0,0,0,0|1,0,0]=3 3159 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,2,0,0,0,0|1,0,0]=3 3160 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [0,2,0,0,0,0|1,0,0]=3 3161 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [0,2,0,0,0,0|1,0,0]=3 3162 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [0,2,0,0,0,0|2,0,0]=4 3163 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200000210301_200010263263 [0,2,0,0,0,0|2,0,0]=4 3164 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200010263263_200000210301 [0,2,0,0,0,0|2,0,0]=4 3165 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_100011068762_200000210301 [0,2,0,0,0,0|2,0,0]=4 3166 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_200000210301_100011068762 [0,2,0,0,0,0|2,0,0]=4 3167 B14R2.1019 CSc1cc(c2ncccc2c1)C 62a_200000210301_100010130319 [0,2,0,0,0,0|1,0,0]=3 3168 B14R2.1019 CSc1cc(c2ncccc2c1)Cl 62a_200000210301_200010369337 [0,2,0,0,0,0|2,0,0]=4 3169 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_100010234705_200000210301 [0,2,0,0,0,0|2,0,0]=4 3170 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_200000210301_100010234705 [0,2,0,0,0,0|2,0,0]=4 3171 B14R2.1019 CSc1cc(c2ncccc2c1)N 62a_200000210301_100009814519 [0,2,0,0,0,0|2,0,0]=4 3172 B14R2.1019 CSc1cc(c2ncccc2c1)O 62a_200000210301_100010248853 [0,2,0,0,0,0|2,0,0]=4 3173 B14R2.1019 CSc1cc(c2nccnc2c1)C 62a_200000210301_100010080486 [0,2,0,0,0,0|2,0,0]=4 3174 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,2,0,0,0,0|2,0,0]=4 3175 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_100009957331_200000210301 [0,2,0,0,0,0|2,0,0]=4 3176 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_200000210301_100009957331 [0,2,0,0,0,0|2,0,0]=4 3177 B14R2.1019 CSc1nc(c2ccccc2n1)C 62a_100000046098_200000210301 [0,2,0,0,0,0|2,0,0]=4 3178 B14R2.1019 CSc1nc(c2ccccc2n1)C 62a_200000210301_100000046098 [0,2,0,0,0,0|2,0,0]=4 3179 B14R2.1019 Cc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010130319 [0,2,0,0,0,0|1,0,0]=3 3180 B14R2.1019 Cc1cc(cc2c1nccn2)S[13CH3] 62a_200025704644_100010080486 [0,2,0,0,0,0|2,0,0]=4 3181 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [0,2,0,0,0,0|1,0,0]=3 3182 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [0,2,0,0,0,0|1,0,0]=3 3183 B14R2.1019 Cc1nc(nc2c1cccc2)S[13CH3] 62a_100000046098_200025704644 [0,2,0,0,0,0|2,0,0]=4 3184 B14R2.1019 Cc1nc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000046098 [0,2,0,0,0,0|2,0,0]=4 3185 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,2,0,0,0,0|1,0,0]=3 3186 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,2,0,0,0,0|1,0,0]=3 3187 B14R2.1019 [13CH3]Nc1cc(c2ncccc2c1)Cl 34a_200009830422_200025704644 [0,2,0,0,0,0|2,0,0]=4 3188 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,2,0,0,0,0|1,0,0]=3 3189 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,2,0,0,0,0|1,0,0]=3 3190 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 34a_100011009069_200025704644 [0,2,0,0,0,0|2,0,0]=4 3191 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 7a_100011009069_200025704644 [0,2,0,0,0,0|2,0,0]=4 3192 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 34a_100000097192_200025704644 [0,2,0,0,0,0|2,0,0]=4 3193 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 7a_100000097192_200025704644 [0,2,0,0,0,0|2,0,0]=4 3194 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 34a_100009888031_200025704644 [0,2,0,0,0,0|2,0,0]=4 3195 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 7a_100009888031_200025704644 [0,2,0,0,0,0|2,0,0]=4 3196 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)N 34a_100000083691_200025704644 [0,2,0,0,0,0|2,0,0]=4 3197 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,2,0,0,0,0|2,0,0]=4 3198 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,2,0,0,0,0|1,0,0]=3 3199 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,2,0,0,0,0|1,0,0]=3 3200 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,2,0,0,0,0|1,0,0]=3 3201 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [0,2,0,0,0,0|2,0,0]=4 3202 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200010263263_200025704644 [0,2,0,0,0,0|2,0,0]=4 3203 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200025704644_200010263263 [0,2,0,0,0,0|2,0,0]=4 3204 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_100011068762_200025704644 [0,2,0,0,0,0|2,0,0]=4 3205 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_200025704644_100011068762 [0,2,0,0,0,0|2,0,0]=4 3206 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)Cl 62a_200025704644_200010369337 [0,2,0,0,0,0|2,0,0]=4 3207 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_100010234705_200025704644 [0,2,0,0,0,0|2,0,0]=4 3208 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_200025704644_100010234705 [0,2,0,0,0,0|2,0,0]=4 3209 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)N 62a_200025704644_100009814519 [0,2,0,0,0,0|2,0,0]=4 3210 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)O 62a_200025704644_100010248853 [0,2,0,0,0,0|2,0,0]=4 3211 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,2,0,0,0,0|2,0,0]=4 3212 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_100009957331_200025704644 [0,2,0,0,0,0|2,0,0]=4 3213 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_200025704644_100009957331 [0,2,0,0,0,0|2,0,0]=4 3214 B14R2.1146 C=Cc1c[n+](cc2c1cccc2)[O-] 271570a_100011290941_100009995557 [0,2,0,0,0,0|1,0,1]=4 3215 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [0,2,0,0,0,0|1,0,1]=4 3216 B14R2.1146 C=Cc1cc(cc2c1cccc2)N 271570a_100011290941_100010089974 [0,2,0,0,0,0|0,0,1]=3 3217 B14R2.1146 C=Cc1cc(cc2c1cccc2)O 271570a_100011290941_100010001680 [0,2,0,0,0,0|0,0,1]=3 3218 B14R2.1146 C=Cc1cc(cc2c1cncc2)O 271570a_100011290941_100011009069 [0,2,0,0,0,0|1,0,1]=4 3219 B14R2.1146 C=Cc1cc(cc2c1nccc2)Br 271570a_100011290941_100010090713 [0,2,0,0,0,0|1,0,1]=4 3220 B14R2.1146 C=Cc1cc(cc2c1nccc2)C 271570a_100011290941_100010113427 [0,2,0,0,0,0|1,0,1]=4 3221 B14R2.1146 C=Cc1cc(cc2c1nccc2)F 271570a_100011290941_100010214460 [0,2,0,0,0,0|1,0,1]=4 3222 B14R2.1146 C=Cc1cc(nc2c1cccc2)C 271570a_100011290941_100000764982 [0,2,0,0,0,0|1,0,1]=4 3223 B14R2.1146 C=Cc1nc(cc2c1cccc2)C 271570a_100011290941_100000698243 [0,2,0,0,0,0|1,0,1]=4 3224 B14R2.1146 C=Cc1nc(cc2c1cccc2)N 271570a_100011290941_100009814382 [0,2,0,0,0,0|1,0,1]=4 3225 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,2,0,0,0,0|1,0,0]=3 3226 B14R2.1146 CNc1cc(=O)[nH]c2c1cccn2 27a_100102657272_100010499609 [0,2,0,0,0,0|2,0,0]=4 3227 B14R2.1146 CNc1cc(cc2c1cccc2)Br 34a_100010171453_200000210301 [0,2,0,0,0,0|0,0,0]=2 3228 B14R2.1146 CNc1cc(cc2c1nccc2)Br 27a_100102657272_100010090713 [0,2,0,0,0,0|1,0,0]=3 3229 B14R2.1146 CNc1cc(cc2c1nccc2)Br 34a_100009814519_200000210301 [0,2,0,0,0,0|1,0,0]=3 3230 B14R2.1146 CNc1cc(cc2c1nccc2)Cl 34a_100000026717_200000210301 [0,2,0,0,0,0|1,0,0]=3 3231 B14R2.1146 CNc1cc(cc2c1nccc2)F 27a_100102657272_100010214460 [0,2,0,0,0,0|1,0,0]=3 3232 B14R2.1146 CNc1cc(cc2c1nccc2)F 34a_100000088212_200000210301 [0,2,0,0,0,0|1,0,0]=3 3233 B14R2.1146 CNc1cc(cc2c1nccc2)O 34a_100000083691_200000210301 [0,2,0,0,0,0|1,0,0]=3 3234 B14R2.1146 CNc1cc(cc2c1nccn2)F 27a_100102657272_100011083936 [0,2,0,0,0,0|2,0,0]=4 3235 B14R2.1146 CNc1cc(nc2c1cccc2)C 27a_100102657272_100000735862 [0,2,0,0,0,0|1,0,0]=3 3236 B14R2.1146 CNc1cc(nc2c1cccn2)C 27a_100102657272_100009885123 [0,2,0,0,0,0|2,0,0]=4 3237 B14R2.1146 CNc1nc(cc2c1cccc2)C 27a_100102657272_100000698243 [0,2,0,0,0,0|1,0,0]=3 3238 B14R2.1146 CNc1nc(cc2c1nccc2)N 27a_100102657272_100010205410 [0,2,0,0,0,0|2,0,0]=4 3239 B14R2.1146 CNc1nc(nc2c1cccc2)C 27a_100102657272_100000230251 [0,2,0,0,0,0|2,0,0]=4 3240 B14R2.1146 COc1cc(cc2c1cccc2)Br 34a_100010089979_200000210301 [0,2,0,0,0,0|0,0,0]=2 3241 B14R2.1146 COc1cc(cc2c1cccc2)Br 7a_100010089979_200000210301 [0,2,0,0,0,0|0,0,0]=2 3242 B14R2.1146 COc1cc(cc2c1cccn2)O 271570a_203496583355_100010248854 [0,2,0,0,0,0|1,0,0]=3 3243 B14R2.1146 COc1cc(cc2c1nccc2)Br 34a_100010248853_200000210301 [0,2,0,0,0,0|1,0,0]=3 3244 B14R2.1146 COc1cc(cc2c1nccc2)Br 7a_100010248853_200000210301 [0,2,0,0,0,0|1,0,0]=3 3245 B14R2.1146 COc1cc(cc2c1nccc2)C 34a_100009888445_200000210301 [0,2,0,0,0,0|1,0,0]=3 3246 B14R2.1146 COc1cc(cc2c1nccc2)C 7a_100009888445_200000210301 [0,2,0,0,0,0|1,0,0]=3 3247 B14R2.1146 COc1cc(cc2c1nccc2)Cl 34a_200000089624_200000210301 [0,2,0,0,0,0|1,0,0]=3 3248 B14R2.1146 COc1cc(cc2c1nccc2)Cl 7a_200000089624_200000210301 [0,2,0,0,0,0|1,0,0]=3 3249 B14R2.1146 COc1cc(cc2c1nccc2)O 271570a_203496583355_100010248852 [0,2,0,0,0,0|1,0,0]=3 3250 B14R2.1146 COc1cc(nc2c1cccc2)C 34a_100000698765_200000210301 [0,2,0,0,0,0|1,0,0]=3 3251 B14R2.1146 COc1cc(nc2c1cccc2)O 271570a_203496583355_200010892118 [0,2,0,0,0,0|1,0,0]=3 3252 B14R2.1146 CSc1c[n+](cc2c1cccc2)[O-] 62a_200000210301_100009995557 [0,2,0,0,0,0|1,0,0]=3 3253 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,2,0,0,0,0|1,0,0]=3 3254 B14R2.1146 CSc1cc(=O)[nH]c2c1cccn2 62a_200000210301_100010499609 [0,2,0,0,0,0|2,0,0]=4 3255 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_100010089974_200000210301 [0,2,0,0,0,0|0,0,0]=2 3256 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_200000210301_100010089974 [0,2,0,0,0,0|0,0,0]=2 3257 B14R2.1146 CSc1cc(cc2c1cccc2)O 62a_200000210301_100010001680 [0,2,0,0,0,0|0,0,0]=2 3258 B14R2.1146 CSc1cc(cc2c1cncc2)O 62a_200000210301_100011009069 [0,2,0,0,0,0|1,0,0]=3 3259 B14R2.1146 CSc1cc(cc2c1nccc2)Br 62a_100010090713_200000210301 [0,2,0,0,0,0|1,0,0]=3 3260 B14R2.1146 CSc1cc(cc2c1nccc2)Br 62a_200000210301_100010090713 [0,2,0,0,0,0|1,0,0]=3 3261 B14R2.1146 CSc1cc(cc2c1nccc2)C 62a_200000210301_100010113427 [0,2,0,0,0,0|1,0,0]=3 3262 B14R2.1146 CSc1cc(cc2c1nccc2)F 62a_100010214460_200000210301 [0,2,0,0,0,0|1,0,0]=3 3263 B14R2.1146 CSc1cc(cc2c1nccc2)F 62a_200000210301_100010214460 [0,2,0,0,0,0|1,0,0]=3 3264 B14R2.1146 CSc1cc(cc2c1nccn2)F 62a_100011083936_200000210301 [0,2,0,0,0,0|2,0,0]=4 3265 B14R2.1146 CSc1cc(cc2c1nccn2)F 62a_200000210301_100011083936 [0,2,0,0,0,0|2,0,0]=4 3266 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_100000764982_200000210301 [0,2,0,0,0,0|1,0,0]=3 3267 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_200000210301_100000735862 [0,2,0,0,0,0|1,0,0]=3 3268 B14R2.1146 CSc1cc(nc2c1cccn2)C 62a_100009885123_200000210301 [0,2,0,0,0,0|2,0,0]=4 3269 B14R2.1146 CSc1cc(nc2c1cccn2)C 62a_200000210301_100009885123 [0,2,0,0,0,0|2,0,0]=4 3270 B14R2.1146 CSc1nc(cc2c1cccc2)C 62a_200000210301_100000698243 [0,2,0,0,0,0|1,0,0]=3 3271 B14R2.1146 CSc1nc(cc2c1cccc2)N 62a_100009814382_200000210301 [0,2,0,0,0,0|1,0,0]=3 3272 B14R2.1146 CSc1nc(cc2c1cccc2)N 62a_200000210301_100009814382 [0,2,0,0,0,0|1,0,0]=3 3273 B14R2.1146 CSc1nc(cc2c1ccnc2)N 62a_100000690061_200000210301 [0,2,0,0,0,0|2,0,0]=4 3274 B14R2.1146 CSc1nc(cc2c1ccnc2)N 62a_200000210301_100000690061 [0,2,0,0,0,0|2,0,0]=4 3275 B14R2.1146 CSc1nc(cc2c1nccc2)N 62a_100010205410_200000210301 [0,2,0,0,0,0|2,0,0]=4 3276 B14R2.1146 CSc1nc(cc2c1nccc2)N 62a_200000210301_100010205410 [0,2,0,0,0,0|2,0,0]=4 3277 B14R2.1146 CSc1nc(nc2c1cccc2)C 62a_100000230251_200000210301 [0,2,0,0,0,0|2,0,0]=4 3278 B14R2.1146 CSc1nc(nc2c1cccc2)C 62a_200000210301_100000230251 [0,2,0,0,0,0|2,0,0]=4 3279 B14R2.1146 Cc1cc(c2ccccc2n1)O[13CH3] 34a_100000698765_200025704644 [0,2,0,0,0,0|1,0,0]=3 3280 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_100000764982_200025704644 [0,2,0,0,0,0|1,0,0]=3 3281 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000735862 [0,2,0,0,0,0|1,0,0]=3 3282 B14R2.1146 Cc1cc(c2cccnc2n1)S[13CH3] 62a_100009885123_200025704644 [0,2,0,0,0,0|2,0,0]=4 3283 B14R2.1146 Cc1cc(c2cccnc2n1)S[13CH3] 62a_200025704644_100009885123 [0,2,0,0,0,0|2,0,0]=4 3284 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 34a_100009888445_200025704644 [0,2,0,0,0,0|1,0,0]=3 3285 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 7a_100009888445_200025704644 [0,2,0,0,0,0|1,0,0]=3 3286 B14R2.1146 Cc1cc(c2ncccc2c1)S[13CH3] 62a_200025704644_100010113427 [0,2,0,0,0,0|1,0,0]=3 3287 B14R2.1146 Cc1cc2ccccc2c(n1)S[13CH3] 62a_200025704644_100000698243 [0,2,0,0,0,0|1,0,0]=3 3288 B14R2.1146 Cc1nc(c2ccccc2n1)S[13CH3] 62a_100000230251_200025704644 [0,2,0,0,0,0|2,0,0]=4 3289 B14R2.1146 Cc1nc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000230251 [0,2,0,0,0,0|2,0,0]=4 3290 B14R2.1146 [13CH3]Nc1cc(cc2c1cccc2)Br 34a_100010171453_200025704644 [0,2,0,0,0,0|0,0,0]=2 3291 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)Br 34a_100009814519_200025704644 [0,2,0,0,0,0|1,0,0]=3 3292 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)Cl 34a_100000026717_200025704644 [0,2,0,0,0,0|1,0,0]=3 3293 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)F 34a_100000088212_200025704644 [0,2,0,0,0,0|1,0,0]=3 3294 B14R2.1146 [13CH3]Nc1cc(cc2c1nccc2)O 34a_100000083691_200025704644 [0,2,0,0,0,0|1,0,0]=3 3295 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 34a_100010089979_200025704644 [0,2,0,0,0,0|0,0,0]=2 3296 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 7a_100010089979_200025704644 [0,2,0,0,0,0|0,0,0]=2 3297 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 34a_100010248853_200025704644 [0,2,0,0,0,0|1,0,0]=3 3298 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 7a_100010248853_200025704644 [0,2,0,0,0,0|1,0,0]=3 3299 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 34a_200000089624_200025704644 [0,2,0,0,0,0|1,0,0]=3 3300 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 7a_200000089624_200025704644 [0,2,0,0,0,0|1,0,0]=3 3301 B14R2.1146 [13CH3]Sc1c[n+](cc2c1cccc2)[O-] 62a_200025704644_100009995557 [0,2,0,0,0,0|1,0,0]=3 3302 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,2,0,0,0,0|1,0,0]=3 3303 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccn2 62a_200025704644_100010499609 [0,2,0,0,0,0|2,0,0]=4 3304 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_100010089974_200025704644 [0,2,0,0,0,0|0,0,0]=2 3305 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_200025704644_100010089974 [0,2,0,0,0,0|0,0,0]=2 3306 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)O 62a_200025704644_100010001680 [0,2,0,0,0,0|0,0,0]=2 3307 B14R2.1146 [13CH3]Sc1cc(cc2c1cncc2)O 62a_200025704644_100011009069 [0,2,0,0,0,0|1,0,0]=3 3308 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)Br 62a_100010090713_200025704644 [0,2,0,0,0,0|1,0,0]=3 3309 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)Br 62a_200025704644_100010090713 [0,2,0,0,0,0|1,0,0]=3 3310 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)F 62a_100010214460_200025704644 [0,2,0,0,0,0|1,0,0]=3 3311 B14R2.1146 [13CH3]Sc1cc(cc2c1nccc2)F 62a_200025704644_100010214460 [0,2,0,0,0,0|1,0,0]=3 3312 B14R2.1146 [13CH3]Sc1cc(cc2c1nccn2)F 62a_100011083936_200025704644 [0,2,0,0,0,0|2,0,0]=4 3313 B14R2.1146 [13CH3]Sc1cc(cc2c1nccn2)F 62a_200025704644_100011083936 [0,2,0,0,0,0|2,0,0]=4 3314 B14R2.1146 [13CH3]Sc1nc(cc2c1cccc2)N 62a_100009814382_200025704644 [0,2,0,0,0,0|1,0,0]=3 3315 B14R2.1146 [13CH3]Sc1nc(cc2c1cccc2)N 62a_200025704644_100009814382 [0,2,0,0,0,0|1,0,0]=3 3316 B14R2.1146 [13CH3]Sc1nc(cc2c1ccnc2)N 62a_100000690061_200025704644 [0,2,0,0,0,0|2,0,0]=4 3317 B14R2.1146 [13CH3]Sc1nc(cc2c1ccnc2)N 62a_200025704644_100000690061 [0,2,0,0,0,0|2,0,0]=4 3318 B14R2.1146 [13CH3]Sc1nc(cc2c1nccc2)N 62a_100010205410_200025704644 [0,2,0,0,0,0|2,0,0]=4 3319 B14R2.1146 [13CH3]Sc1nc(cc2c1nccc2)N 62a_200025704644_100010205410 [0,2,0,0,0,0|2,0,0]=4 3320 B14R2.28480 Cc1nc(c2c(cccc2n1)C)O 271570a_203496583355_200012002097 [0,2,0,0,0,0|2,0,0]=4 3321 B14R2.28480 Oc1ccnc2c1c(cc(c2)F)F 271570a_203496583355_100011310466 [0,2,0,0,0,0|2,0,0]=4 3322 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O 271570a_203496583355_100011290880 [0,2,0,0,0,0|2,0,0]=4 3323 B14R2.29365 Cc1cc(c2ccc(nc2n1)O)C 271570a_203496583355_200000075399 [0,2,0,0,0,0|2,0,0]=4 3324 B14R2.29365 Cc1cc(nc2c1ccc(c2)N)O 271570a_203496583355_100000103534 [0,2,0,0,0,0|1,0,0]=3 3325 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,2,0,0,0,0|2,0,0]=4 3326 B14R2.29365 Nc1cc(c2ncc(cc2c1)O)F 271570a_203496583355_100010780968 [0,2,0,0,0,0|2,0,0]=4 3327 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,2,0,0,0,0|2,0,0]=4 3328 B14R2.1078 C=Cc1cccc2c1[nH]ccc2=O 271570a_100011290941_100000749886 [0,2,0,0,0,0|1,0,1]=4 3329 B14R2.1078 C=Cc1cccc2c1cc[nH]c2=O 271570a_100011290941_100000703947 [0,2,0,0,0,0|1,0,1]=4 3330 B14R2.1078 C=Cc1cccc2c1cccc2F 271570a_100011290941_100009817034 [0,2,0,0,0,0|0,0,1]=3 3331 B14R2.1078 C=Cc1cccc2c1cccc2N 271570a_100011290941_100009816864 [0,2,0,0,0,0|0,0,1]=3 3332 B14R2.1078 C=Cc1cccc2c1cccc2O 271570a_100011290941_100010003857 [0,2,0,0,0,0|0,0,1]=3 3333 B14R2.1078 C=Cc1cccc2c1ccnc2C 271570a_100011290941_100010137443 [0,2,0,0,0,0|1,0,0]=3 3334 B14R2.1078 C=Cc1cccc2c1ccnc2Cl 271570a_100011290941_100010080171 [0,2,0,0,0,0|1,0,1]=4 3335 B14R2.1078 C=Cc1cccc2c1ccnc2N 271570a_100011290941_103549770558 [0,2,0,0,0,0|1,0,1]=4 3336 B14R2.1078 C=Cc1cccc2c1nccc2C 271570a_100011290941_100010254272 [0,2,0,0,0,0|1,0,0]=3 3337 B14R2.1078 C=Cc1cccc2c1nccc2N 271570a_100011290941_100011620713 [0,2,0,0,0,0|1,0,1]=4 3338 B14R2.1078 C=Cc1ccnc2c1cccc2C 271570a_100011290941_100000751276 [0,2,0,0,0,0|1,0,0]=3 3339 B14R2.1078 C=Cc1ccnc2c1cccc2F 271570a_100011290941_100011934723 [0,2,0,0,0,0|1,0,1]=4 3340 B14R2.1078 C=Cc1ccnc2c1cccc2N 271570a_100011290941_100009892510 [0,2,0,0,0,0|1,0,1]=4 3341 B14R2.1078 C=Cc1ccnc2c1cccc2O 271570a_100011290941_100000703299 [0,2,0,0,0,0|1,0,1]=4 3342 B14R2.1078 C=Cc1ccnc2c1nccc2C 271570a_100011290941_200013369187 [0,2,0,0,0,0|2,0,0]=4 3343 B14R2.1078 C=Cc1cncc2c1cccc2F 271570a_100011290941_100010740057 [0,2,0,0,0,0|1,0,1]=4 3344 B14R2.1078 C=Cc1nccc2c1cccc2C 271570a_100011290941_100012002547 [0,2,0,0,0,0|1,0,0]=3 3345 B14R2.1078 C=Cc1nccc2c1cccc2F 271570a_100011290941_100012180906 [0,2,0,0,0,0|1,0,1]=4 3346 B14R2.1078 C=Cc1nccc2c1cccc2N 271570a_100011290941_100000070072 [0,2,0,0,0,0|1,0,1]=4 3347 B14R2.1078 C=Cc1ncnc2c1cccc2C 271570a_100011290941_100000751292 [0,2,0,0,0,0|2,0,0]=4 3348 B14R2.1078 CNc1cccc2c1ccc[n+]2C 34a_200021579679_200000210301 [0,2,0,0,0,0|1,0,0]=3 3349 B14R2.1078 CNc1cccc2c1cccc2Br 34a_100009816864_200000210301 [0,2,0,0,0,0|0,0,0]=2 3350 B14R2.1078 CNc1cccc2c1cccc2Cl 34a_100000077128_200000210301 [0,2,0,0,0,0|0,0,0]=2 3351 B14R2.1078 CNc1cccc2c1cccc2O 34a_100000210686_200000210301 [0,2,0,0,0,0|0,0,0]=2 3352 B14R2.1078 CNc1cccc2c1ccnc2Cl 34a_100000070072_200000210301 [0,2,0,0,0,0|1,0,0]=3 3353 B14R2.1078 CNc1cccc2c1nc[nH]c2=O 27a_100102657272_100000741247 [0,2,0,0,0,0|2,0,0]=4 3354 B14R2.1078 CNc1cccc2c1nccc2C 27a_100102657272_100010254272 [0,2,0,0,0,0|1,0,0]=3 3355 B14R2.1078 CNc1cccc2c1nccc2C 34a_100011934384_200000210301 [0,2,0,0,0,0|1,0,0]=3 3356 B14R2.1078 CNc1cccc2c1nccc2Cl 34a_100009892510_200000210301 [0,2,0,0,0,0|1,0,0]=3 3357 B14R2.1078 CNc1cccc2c1ncnc2Cl 27a_100102657272_100010219103 [0,2,0,0,0,0|2,0,0]=4 3358 B14R2.1078 CNc1cccc2c1ncnc2N 27a_100102657272_100010199759 [0,2,0,0,0,0|2,0,0]=4 3359 B14R2.1078 CNc1ccnc2c1cccc2C 27a_100102657272_100000751276 [0,2,0,0,0,0|1,0,0]=3 3360 B14R2.1078 CNc1ccnc2c1cccc2F 27a_100102657272_100000751275 [0,2,0,0,0,0|1,0,0]=3 3361 B14R2.1078 CNc1ccnc2c1cccc2N 27a_100102657272_100009892510 [0,2,0,0,0,0|1,0,0]=3 3362 B14R2.1078 CNc1ccnc2c1cccc2O 27a_100102657272_100000703299 [0,2,0,0,0,0|1,0,0]=3 3363 B14R2.1078 CNc1ccnc2c1nccc2C 27a_100102657272_200013369187 [0,2,0,0,0,0|2,0,0]=4 3364 B14R2.1078 CNc1nccc2c1cccc2C 27a_100102657272_100012002547 [0,2,0,0,0,0|1,0,0]=3 3365 B14R2.1078 CNc1nccc2c1cccc2F 27a_100102657272_100012180906 [0,2,0,0,0,0|1,0,0]=3 3366 B14R2.1078 CNc1nccc2c1cccc2N 27a_100102657272_100000070072 [0,2,0,0,0,0|1,0,0]=3 3367 B14R2.1078 CNc1ncnc2c1cccc2C 27a_100102657272_100000751292 [0,2,0,0,0,0|2,0,0]=4 3368 B14R2.1078 CNc1ncnc2c1cccc2F 27a_100102657272_100000693626 [0,2,0,0,0,0|2,0,0]=4 3369 B14R2.1078 COc1cccc2c1cccc2Br 34a_100010003857_200000210301 [0,2,0,0,0,0|0,0,0]=2 3370 B14R2.1078 COc1cccc2c1cccc2Br 7a_100010003857_200000210301 [0,2,0,0,0,0|0,0,0]=2 3371 B14R2.1078 COc1cccc2c1cccc2N 34a_100000210686_200000210301 [0,2,0,0,0,0|0,0,0]=2 3372 B14R2.1078 COc1cccc2c1nccc2Br 34a_100000703299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3373 B14R2.1078 COc1cccc2c1nccc2Br 7a_100000703299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3374 B14R2.1078 COc1cccc2c1nccc2C 7a_100000702989_200000210301 [0,2,0,0,0,0|1,0,0]=3 3375 B14R2.1078 COc1cccc2c1nccc2O 271570a_203496583355_100000709070 [0,2,0,0,0,0|1,0,0]=3 3376 B14R2.1078 COc1cccc2c1ncnc2O 271570a_203496583355_100012001261 [0,2,0,0,0,0|2,0,0]=4 3377 B14R2.1078 COc1ccnc2c1cccc2F 34a_100000709910_200000210301 [0,2,0,0,0,0|1,0,0]=3 3378 B14R2.1078 CSc1cccc2c1cc[nH]c2=O 62a_200000210301_100000703947 [0,2,0,0,0,0|1,0,0]=3 3379 B14R2.1078 CSc1cccc2c1cccc2F 62a_100009817034_200000210301 [0,2,0,0,0,0|0,0,0]=2 3380 B14R2.1078 CSc1cccc2c1cccc2F 62a_200000210301_100009817034 [0,2,0,0,0,0|0,0,0]=2 3381 B14R2.1078 CSc1cccc2c1cccc2N 62a_100009816864_200000210301 [0,2,0,0,0,0|0,0,0]=2 3382 B14R2.1078 CSc1cccc2c1cccc2O 62a_200000210301_100010003857 [0,2,0,0,0,0|0,0,0]=2 3383 B14R2.1078 CSc1cccc2c1ccnc2C 62a_100010137443_200000210301 [0,2,0,0,0,0|1,0,0]=3 3384 B14R2.1078 CSc1cccc2c1ccnc2C 62a_200000210301_100010137443 [0,2,0,0,0,0|1,0,0]=3 3385 B14R2.1078 CSc1cccc2c1ccnc2Cl 62a_200000210301_100010080171 [0,2,0,0,0,0|1,0,0]=3 3386 B14R2.1078 CSc1cccc2c1ccnc2N 62a_103549770558_200000210301 [0,2,0,0,0,0|1,0,0]=3 3387 B14R2.1078 CSc1cccc2c1nccc2C 62a_200000210301_100010254272 [0,2,0,0,0,0|1,0,0]=3 3388 B14R2.1078 CSc1cccc2c1nccc2N 62a_100011620713_200000210301 [0,2,0,0,0,0|1,0,0]=3 3389 B14R2.1078 CSc1cccc2c1nccc2N 62a_200000210301_100011620713 [0,2,0,0,0,0|1,0,0]=3 3390 B14R2.1078 CSc1cccc2c1ncnc2Cl 62a_200000210301_100010219103 [0,2,0,0,0,0|2,0,0]=4 3391 B14R2.1078 CSc1cccc2c1ncnc2N 62a_100010199759_200000210301 [0,2,0,0,0,0|2,0,0]=4 3392 B14R2.1078 CSc1cccc2c1ncnc2N 62a_200000210301_100010199759 [0,2,0,0,0,0|2,0,0]=4 3393 B14R2.1078 CSc1cccc2c1ncnc2O 62a_200000210301_100010201916 [0,2,0,0,0,0|2,0,0]=4 3394 B14R2.1078 CSc1ccnc2c1cccc2C 62a_200000210301_100000751276 [0,2,0,0,0,0|1,0,0]=3 3395 B14R2.1078 CSc1ccnc2c1cccc2F 62a_100011934723_200000210301 [0,2,0,0,0,0|1,0,0]=3 3396 B14R2.1078 CSc1ccnc2c1cccc2F 62a_200000210301_100011934723 [0,2,0,0,0,0|1,0,0]=3 3397 B14R2.1078 CSc1ccnc2c1cccc2N 62a_200000210301_100009892510 [0,2,0,0,0,0|1,0,0]=3 3398 B14R2.1078 CSc1ccnc2c1cccc2O 62a_200000210301_100000703299 [0,2,0,0,0,0|1,0,0]=3 3399 B14R2.1078 CSc1ccnc2c1nccc2C 62a_200000210301_200013369187 [0,2,0,0,0,0|2,0,0]=4 3400 B14R2.1078 CSc1cncc2c1cccc2F 62a_100010740057_200000210301 [0,2,0,0,0,0|1,0,0]=3 3401 B14R2.1078 CSc1cncc2c1cccc2F 62a_200000210301_100010740057 [0,2,0,0,0,0|1,0,0]=3 3402 B14R2.1078 CSc1nccc2c1cccc2C 62a_200000210301_100012002547 [0,2,0,0,0,0|1,0,0]=3 3403 B14R2.1078 CSc1nccc2c1cccc2F 62a_200000210301_100012180906 [0,2,0,0,0,0|1,0,0]=3 3404 B14R2.1078 CSc1nccc2c1cccc2N 62a_200000210301_100000070072 [0,2,0,0,0,0|1,0,0]=3 3405 B14R2.1078 CSc1ncnc2c1cccc2C 62a_200000210301_100000751292 [0,2,0,0,0,0|2,0,0]=4 3406 B14R2.1078 CSc1ncnc2c1cccc2F 62a_200000210301_100000693626 [0,2,0,0,0,0|2,0,0]=4 3407 B14R2.1078 C[n+]1cccc2c1cccc2N[13CH3] 34a_200021579679_200025704644 [0,2,0,0,0,0|1,0,0]=3 3408 B14R2.1078 Cc1cccc2c1ccnc2S[13CH3] 62a_200025704644_100012002547 [0,2,0,0,0,0|1,0,0]=3 3409 B14R2.1078 Cc1cccc2c1nccc2S[13CH3] 62a_200025704644_100000751276 [0,2,0,0,0,0|1,0,0]=3 3410 B14R2.1078 Cc1cccc2c1ncnc2S[13CH3] 62a_200025704644_100000751292 [0,2,0,0,0,0|2,0,0]=4 3411 B14R2.1078 Cc1ccnc2c1cccc2N[13CH3] 34a_100011934384_200025704644 [0,2,0,0,0,0|1,0,0]=3 3412 B14R2.1078 Cc1ccnc2c1cccc2O[13CH3] 7a_100000702989_200025704644 [0,2,0,0,0,0|1,0,0]=3 3413 B14R2.1078 Cc1ccnc2c1cccc2S[13CH3] 62a_200025704644_100010254272 [0,2,0,0,0,0|1,0,0]=3 3414 B14R2.1078 Cc1ccnc2c1nccc2S[13CH3] 62a_200025704644_200013369187 [0,2,0,0,0,0|2,0,0]=4 3415 B14R2.1078 Cc1nccc2c1cccc2S[13CH3] 62a_100010137443_200025704644 [0,2,0,0,0,0|1,0,0]=3 3416 B14R2.1078 Cc1nccc2c1cccc2S[13CH3] 62a_200025704644_100010137443 [0,2,0,0,0,0|1,0,0]=3 3417 B14R2.1078 N#Cc1cccc2c1ccnc2O 271570a_203496583355_100009853718 [0,2,0,0,0,0|1,0,1]=4 3418 B14R2.1078 N#Cc1nccc2c1cccc2O 271570a_203496583355_100010113791 [0,2,0,0,0,0|1,0,1]=4 3419 B14R2.1078 [13CH3]Nc1cccc2c1cccc2Br 34a_100009816864_200025704644 [0,2,0,0,0,0|0,0,0]=2 3420 B14R2.1078 [13CH3]Nc1cccc2c1cccc2Cl 34a_100000077128_200025704644 [0,2,0,0,0,0|0,0,0]=2 3421 B14R2.1078 [13CH3]Nc1cccc2c1cccc2O 34a_100000210686_200025704644 [0,2,0,0,0,0|0,0,0]=2 3422 B14R2.1078 [13CH3]Nc1cccc2c1ccnc2Cl 34a_100000070072_200025704644 [0,2,0,0,0,0|1,0,0]=3 3423 B14R2.1078 [13CH3]Nc1cccc2c1nccc2Cl 34a_100009892510_200025704644 [0,2,0,0,0,0|1,0,0]=3 3424 B14R2.1078 [13CH3]Oc1cccc2c1cccc2Br 34a_100010003857_200025704644 [0,2,0,0,0,0|0,0,0]=2 3425 B14R2.1078 [13CH3]Oc1cccc2c1cccc2Br 7a_100010003857_200025704644 [0,2,0,0,0,0|0,0,0]=2 3426 B14R2.1078 [13CH3]Oc1cccc2c1cccc2N 34a_100000210686_200025704644 [0,2,0,0,0,0|0,0,0]=2 3427 B14R2.1078 [13CH3]Oc1cccc2c1nccc2Br 34a_100000703299_200025704644 [0,2,0,0,0,0|1,0,0]=3 3428 B14R2.1078 [13CH3]Oc1cccc2c1nccc2Br 7a_100000703299_200025704644 [0,2,0,0,0,0|1,0,0]=3 3429 B14R2.1078 [13CH3]Oc1ccnc2c1cccc2F 34a_100000709910_200025704644 [0,2,0,0,0,0|1,0,0]=3 3430 B14R2.1078 [13CH3]Sc1cccc2c1cc[nH]c2=O 62a_200025704644_100000703947 [0,2,0,0,0,0|1,0,0]=3 3431 B14R2.1078 [13CH3]Sc1cccc2c1cccc2F 62a_100009817034_200025704644 [0,2,0,0,0,0|0,0,0]=2 3432 B14R2.1078 [13CH3]Sc1cccc2c1cccc2F 62a_200025704644_100009817034 [0,2,0,0,0,0|0,0,0]=2 3433 B14R2.1078 [13CH3]Sc1cccc2c1cccc2N 62a_100009816864_200025704644 [0,2,0,0,0,0|0,0,0]=2 3434 B14R2.1078 [13CH3]Sc1cccc2c1cccc2O 62a_200025704644_100010003857 [0,2,0,0,0,0|0,0,0]=2 3435 B14R2.1078 [13CH3]Sc1cccc2c1ccnc2Cl 62a_200025704644_100010080171 [0,2,0,0,0,0|1,0,0]=3 3436 B14R2.1078 [13CH3]Sc1cccc2c1ccnc2N 62a_103549770558_200025704644 [0,2,0,0,0,0|1,0,0]=3 3437 B14R2.1078 [13CH3]Sc1cccc2c1nccc2N 62a_100011620713_200025704644 [0,2,0,0,0,0|1,0,0]=3 3438 B14R2.1078 [13CH3]Sc1cccc2c1nccc2N 62a_200025704644_100011620713 [0,2,0,0,0,0|1,0,0]=3 3439 B14R2.1078 [13CH3]Sc1cccc2c1ncnc2Cl 62a_200025704644_100010219103 [0,2,0,0,0,0|2,0,0]=4 3440 B14R2.1078 [13CH3]Sc1cccc2c1ncnc2N 62a_100010199759_200025704644 [0,2,0,0,0,0|2,0,0]=4 3441 B14R2.1078 [13CH3]Sc1cccc2c1ncnc2N 62a_200025704644_100010199759 [0,2,0,0,0,0|2,0,0]=4 3442 B14R2.1078 [13CH3]Sc1cccc2c1ncnc2O 62a_200025704644_100010201916 [0,2,0,0,0,0|2,0,0]=4 3443 B14R2.1078 [13CH3]Sc1ccnc2c1cccc2F 62a_100011934723_200025704644 [0,2,0,0,0,0|1,0,0]=3 3444 B14R2.1078 [13CH3]Sc1ccnc2c1cccc2F 62a_200025704644_100011934723 [0,2,0,0,0,0|1,0,0]=3 3445 B14R2.1078 [13CH3]Sc1ccnc2c1cccc2N 62a_200025704644_100009892510 [0,2,0,0,0,0|1,0,0]=3 3446 B14R2.1078 [13CH3]Sc1ccnc2c1cccc2O 62a_200025704644_100000703299 [0,2,0,0,0,0|1,0,0]=3 3447 B14R2.1078 [13CH3]Sc1cncc2c1cccc2F 62a_100010740057_200025704644 [0,2,0,0,0,0|1,0,0]=3 3448 B14R2.1078 [13CH3]Sc1cncc2c1cccc2F 62a_200025704644_100010740057 [0,2,0,0,0,0|1,0,0]=3 3449 B14R2.1078 [13CH3]Sc1nccc2c1cccc2F 62a_200025704644_100012180906 [0,2,0,0,0,0|1,0,0]=3 3450 B14R2.1078 [13CH3]Sc1nccc2c1cccc2N 62a_200025704644_100000070072 [0,2,0,0,0,0|1,0,0]=3 3451 B14R2.1078 [13CH3]Sc1ncnc2c1cccc2F 62a_200025704644_100000693626 [0,2,0,0,0,0|2,0,0]=4 3452 B14R2.8051 Cc1ccnc2c1c(ccc2O)C 271570a_203496583355_200010761301 [0,2,0,0,0,0|1,0,0]=3 3453 B14R2.8051 O=c1cc[nH]c2c1c(ccc2O)F 271570a_203496583355_100012347610 [0,2,0,0,0,0|2,0,0]=4 3454 B14R2.8051 Oc1ccnc2c1c(ccc2F)F 271570a_203496583355_100000748727 [0,2,0,0,0,0|2,0,0]=4 3455 B14R2.1131 C=Cc1cc[n+](c2c1cccc2)[O-] 271570a_100011290941_100020656173 [0,2,0,0,0,0|1,0,1]=4 3456 B14R2.1131 C=Cc1ccc(c2c1cccc2)Br 271570a_100011290941_100012339872 [0,2,0,0,0,0|0,0,1]=3 3457 B14R2.1131 C=Cc1ccc(c2c1cccc2)C 271570a_100011290941_100011215156 [0,2,0,0,0,0|0,0,0]=2 3458 B14R2.1131 C=Cc1ccc(c2c1cccc2)F 271570a_100011290941_100011218216 [0,2,0,0,0,0|0,0,1]=3 3459 B14R2.1131 C=Cc1ccc(c2c1cccc2)N 271570a_100011290941_100000766797 [0,2,0,0,0,0|0,0,1]=3 3460 B14R2.1131 C=Cc1ccc(c2c1cccc2)O 271570a_100011290941_100000186334 [0,2,0,0,0,0|0,0,1]=3 3461 B14R2.1131 C=Cc1ccc(c2c1cccn2)C 271570a_100011290941_100000694312 [0,2,0,0,0,0|1,0,0]=3 3462 B14R2.1131 C=Cc1ccc(c2c1cccn2)F 271570a_100011290941_100010245834 [0,2,0,0,0,0|1,0,1]=4 3463 B14R2.1131 C=Cc1ccc(c2c1cccn2)N 271570a_100011290941_100000726955 [0,2,0,0,0,0|1,0,1]=4 3464 B14R2.1131 C=Cc1ccc(c2c1cccn2)O 271570a_100011290941_100011934063 [0,2,0,0,0,0|1,0,1]=4 3465 B14R2.1131 C=Cc1ccc(c2c1ccnc2)F 271570a_100011290941_100000698020 [0,2,0,0,0,0|1,0,1]=4 3466 B14R2.1131 C=Cc1ccc(c2c1ccnc2)N 271570a_100011290941_100011218454 [0,2,0,0,0,0|1,0,1]=4 3467 B14R2.1131 C=Cc1ccc(c2c1cncc2)F 271570a_100011290941_100010244717 [0,2,0,0,0,0|1,0,1]=4 3468 B14R2.1131 C=Cc1ccc(c2c1cncc2)N 271570a_100011290941_200012344021 [0,2,0,0,0,0|1,0,1]=4 3469 B14R2.1131 C=Cc1ccc(c2c1nccc2)F 271570a_100011290941_100010214461 [0,2,0,0,0,0|1,0,1]=4 3470 B14R2.1131 C=Cc1ccc(c2c1nccc2)N 271570a_100011290941_100012360041 [0,2,0,0,0,0|1,0,1]=4 3471 B14R2.1131 C=Cc1cnc(c2c1cccc2)C 271570a_100011290941_100010239772 [0,2,0,0,0,0|1,0,0]=3 3472 B14R2.1131 C=Cc1cnc(c2c1cccc2)N 271570a_100011290941_100010158575 [0,2,0,0,0,0|1,0,1]=4 3473 B14R2.1131 C=Cc1cnc(c2c1cccc2)O 271570a_100011290941_100009816523 [0,2,0,0,0,0|1,0,1]=4 3474 B14R2.1131 C=Cc1ncc(c2c1cccc2)C 271570a_100011290941_100000112005 [0,2,0,0,0,0|1,0,0]=3 3475 B14R2.1131 C=Cc1ncc(c2c1cccc2)N 271570a_100011290941_200009868590 [0,2,0,0,0,0|1,0,1]=4 3476 B14R2.1131 C=Cc1ncc(c2c1cccc2)O 271570a_100011290941_100000067196 [0,2,0,0,0,0|1,0,1]=4 3477 B14R2.1131 C=Cc1nnc(c2c1cccc2)C 271570a_100011290941_100000189618 [0,2,0,0,0,0|2,0,0]=4 3478 B14R2.1131 CNc1ccc(c2c1cccc2)Br 34a_100000766797_200000210301 [0,2,0,0,0,0|0,0,0]=2 3479 B14R2.1131 CNc1ccc(c2c1cccc2)Cl 34a_100011216319_200000210301 [0,2,0,0,0,0|0,0,0]=2 3480 B14R2.1131 CNc1ccc(c2c1cccc2)F 34a_100011988692_200000210301 [0,2,0,0,0,0|0,0,0]=2 3481 B14R2.1131 CNc1ccc(c2c1cccc2)O 34a_100000705857_200000210301 [0,2,0,0,0,0|0,0,0]=2 3482 B14R2.1131 CNc1ccc(c2c1cccn2)Br 34a_100012360041_200000210301 [0,2,0,0,0,0|1,0,0]=3 3483 B14R2.1131 CNc1ccc(c2c1cccn2)C 34a_100000736242_200000210301 [0,2,0,0,0,0|1,0,0]=3 3484 B14R2.1131 CNc1ccc(c2c1cccn2)Cl 34a_100000746469_200000210301 [0,2,0,0,0,0|1,0,0]=3 3485 B14R2.1131 CNc1ccc(c2c1cccn2)F 34a_102125277280_200000210301 [0,2,0,0,0,0|1,0,0]=3 3486 B14R2.1131 CNc1ccc(c2c1cccn2)O 34a_100000188197_200000210301 [0,2,0,0,0,0|1,0,0]=3 3487 B14R2.1131 CNc1ccc(c2c1ccnc2)Cl 34a_100012183343_200000210301 [0,2,0,0,0,0|1,0,0]=3 3488 B14R2.1131 CNc1ccc(c2c1ccnc2)F 27a_100102657272_100000698020 [0,2,0,0,0,0|1,0,0]=3 3489 B14R2.1131 CNc1ccc(c2c1cncc2)F 27a_100102657272_100010244717 [0,2,0,0,0,0|1,0,0]=3 3490 B14R2.1131 CNc1ccc(c2c1nccc2)Br 34a_100000726955_200000210301 [0,2,0,0,0,0|1,0,0]=3 3491 B14R2.1131 CNc1ccc(c2c1nccc2)Cl 34a_100000736140_200000210301 [0,2,0,0,0,0|1,0,0]=3 3492 B14R2.1131 CNc1ccc(c2c1nccc2)F 27a_100102657272_100010214461 [0,2,0,0,0,0|1,0,0]=3 3493 B14R2.1131 CNc1ncc(c2c1cccc2)C 27a_100102657272_100000112005 [0,2,0,0,0,0|1,0,0]=3 3494 B14R2.1131 CNc1nnc(c2c1cccc2)C 27a_100102657272_100000189618 [0,2,0,0,0,0|2,0,0]=4 3495 B14R2.1131 COc1ccc(c2c1cccc2)Br 34a_100000186334_200000210301 [0,2,0,0,0,0|0,0,0]=2 3496 B14R2.1131 COc1ccc(c2c1cccc2)Br 7a_100000186334_200000210301 [0,2,0,0,0,0|0,0,0]=2 3497 B14R2.1131 COc1ccc(c2c1cccc2)C 34a_100000074455_200000210301 [0,2,0,0,0,0|0,0,0]=2 3498 B14R2.1131 COc1ccc(c2c1cccc2)C 7a_100000074455_200000210301 [0,2,0,0,0,0|0,0,0]=2 3499 B14R2.1131 COc1ccc(c2c1cccc2)Cl 34a_100000211000_200000210301 [0,2,0,0,0,0|0,0,0]=2 3500 B14R2.1131 COc1ccc(c2c1cccc2)Cl 7a_100000211000_200000210301 [0,2,0,0,0,0|0,0,0]=2 3501 B14R2.1131 COc1ccc(c2c1cccc2)F 34a_100000100223_200000210301 [0,2,0,0,0,0|0,0,0]=2 3502 B14R2.1131 COc1ccc(c2c1cccc2)F 7a_100000100223_200000210301 [0,2,0,0,0,0|0,0,0]=2 3503 B14R2.1131 COc1ccc(c2c1cccc2)N 34a_100000705857_200000210301 [0,2,0,0,0,0|0,0,0]=2 3504 B14R2.1131 COc1ccc(c2c1cccc2)N 7a_100000705857_200000210301 [0,2,0,0,0,0|0,0,0]=2 3505 B14R2.1131 COc1ccc(c2c1cccc2)O 271570a_203496583355_100011256618 [0,2,0,0,0,0|0,0,0]=2 3506 B14R2.1131 COc1ccc(c2c1nccc2)Br 34a_100011934063_200000210301 [0,2,0,0,0,0|1,0,0]=3 3507 B14R2.1131 COc1ccc(c2c1nccc2)Br 7a_100011934063_200000210301 [0,2,0,0,0,0|1,0,0]=3 3508 B14R2.1131 COc1ccc(c2c1nccc2)C 34a_100000058672_200000210301 [0,2,0,0,0,0|1,0,0]=3 3509 B14R2.1131 COc1ccc(c2c1nccc2)C 7a_100000058672_200000210301 [0,2,0,0,0,0|1,0,0]=3 3510 B14R2.1131 COc1ccc(c2c1nccc2)Cl 34a_100000212186_200000210301 [0,2,0,0,0,0|1,0,0]=3 3511 B14R2.1131 COc1ccc(c2c1nccc2)Cl 7a_100000212186_200000210301 [0,2,0,0,0,0|1,0,0]=3 3512 B14R2.1131 COc1ccc(c2c1nccc2)F 34a_100000034212_200000210301 [0,2,0,0,0,0|1,0,0]=3 3513 B14R2.1131 COc1ccc(c2c1nccc2)F 7a_100000034212_200000210301 [0,2,0,0,0,0|1,0,0]=3 3514 B14R2.1131 COc1ccc(c2c1nccc2)N 34a_100000188197_200000210301 [0,2,0,0,0,0|1,0,0]=3 3515 B14R2.1131 COc1ccc(c2c1nccc2)O 271570a_203496583355_100009820878 [0,2,0,0,0,0|1,0,0]=3 3516 B14R2.1131 COc1cnc(c2c1cccc2)Cl 34a_100000067196_200000210301 [0,2,0,0,0,0|1,0,0]=3 3517 B14R2.1131 COc1cnc(c2c1cccc2)Cl 7a_100000067196_200000210301 [0,2,0,0,0,0|1,0,0]=3 3518 B14R2.1131 COc1cnc(c2c1cccc2)O 271570a_203496583355_100009847308 [0,2,0,0,0,0|1,0,0]=3 3519 B14R2.1131 COc1ncc(c2c1cccc2)O 271570a_203496583355_100010220697 [0,2,0,0,0,0|1,0,0]=3 3520 B14R2.1131 COc1nnc(c2c1cccc2)C 34a_100000183092_200000210301 [0,2,0,0,0,0|2,0,0]=4 3521 B14R2.1131 CSc1c[nH]c(=O)c2c1ccnc2 62a_200000210301_100010090797 [0,2,0,0,0,0|2,0,0]=4 3522 B14R2.1131 CSc1c[nH]c(=O)c2c1nccc2 62a_200000210301_100009998689 [0,2,0,0,0,0|2,0,0]=4 3523 B14R2.1131 CSc1ccc(c2c1cccc2)Br 62a_100012339872_200000210301 [0,2,0,0,0,0|0,0,0]=2 3524 B14R2.1131 CSc1ccc(c2c1cccc2)Br 62a_200000210301_100012339872 [0,2,0,0,0,0|0,0,0]=2 3525 B14R2.1131 CSc1ccc(c2c1cccc2)C 62a_100011215156_200000210301 [0,2,0,0,0,0|0,0,0]=2 3526 B14R2.1131 CSc1ccc(c2c1cccc2)C 62a_200000210301_100011215156 [0,2,0,0,0,0|0,0,0]=2 3527 B14R2.1131 CSc1ccc(c2c1cccc2)F 62a_100011218216_200000210301 [0,2,0,0,0,0|0,0,0]=2 3528 B14R2.1131 CSc1ccc(c2c1cccc2)F 62a_200000210301_100011218216 [0,2,0,0,0,0|0,0,0]=2 3529 B14R2.1131 CSc1ccc(c2c1cccc2)N 62a_100000766797_200000210301 [0,2,0,0,0,0|0,0,0]=2 3530 B14R2.1131 CSc1ccc(c2c1cccc2)O 62a_200000210301_100000186334 [0,2,0,0,0,0|0,0,0]=2 3531 B14R2.1131 CSc1ccc(c2c1cccn2)C 62a_200000210301_100000694312 [0,2,0,0,0,0|1,0,0]=3 3532 B14R2.1131 CSc1ccc(c2c1cccn2)F 62a_100010245834_200000210301 [0,2,0,0,0,0|1,0,0]=3 3533 B14R2.1131 CSc1ccc(c2c1cccn2)F 62a_200000210301_100010245834 [0,2,0,0,0,0|1,0,0]=3 3534 B14R2.1131 CSc1ccc(c2c1cccn2)N 62a_100000726955_200000210301 [0,2,0,0,0,0|1,0,0]=3 3535 B14R2.1131 CSc1ccc(c2c1cccn2)N 62a_200000210301_100000726955 [0,2,0,0,0,0|1,0,0]=3 3536 B14R2.1131 CSc1ccc(c2c1cccn2)O 62a_200000210301_100011934063 [0,2,0,0,0,0|1,0,0]=3 3537 B14R2.1131 CSc1ccc(c2c1ccnc2)F 62a_100000698020_200000210301 [0,2,0,0,0,0|1,0,0]=3 3538 B14R2.1131 CSc1ccc(c2c1ccnc2)F 62a_200000210301_100000698020 [0,2,0,0,0,0|1,0,0]=3 3539 B14R2.1131 CSc1ccc(c2c1ccnc2)N 62a_100011218454_200000210301 [0,2,0,0,0,0|1,0,0]=3 3540 B14R2.1131 CSc1ccc(c2c1ccnc2)N 62a_200000210301_100011218454 [0,2,0,0,0,0|1,0,0]=3 3541 B14R2.1131 CSc1ccc(c2c1cncc2)F 62a_100010244717_200000210301 [0,2,0,0,0,0|1,0,0]=3 3542 B14R2.1131 CSc1ccc(c2c1cncc2)F 62a_200000210301_100010244717 [0,2,0,0,0,0|1,0,0]=3 3543 B14R2.1131 CSc1ccc(c2c1cncc2)N 62a_200000210301_200012344021 [0,2,0,0,0,0|1,0,0]=3 3544 B14R2.1131 CSc1ccc(c2c1cncc2)N 62a_200012344021_200000210301 [0,2,0,0,0,0|1,0,0]=3 3545 B14R2.1131 CSc1ccc(c2c1nccc2)F 62a_100010214461_200000210301 [0,2,0,0,0,0|1,0,0]=3 3546 B14R2.1131 CSc1ccc(c2c1nccc2)F 62a_200000210301_100010214461 [0,2,0,0,0,0|1,0,0]=3 3547 B14R2.1131 CSc1ccc(c2c1nccc2)N 62a_100012360041_200000210301 [0,2,0,0,0,0|1,0,0]=3 3548 B14R2.1131 CSc1ccc(c2c1nccc2)N 62a_200000210301_100012360041 [0,2,0,0,0,0|1,0,0]=3 3549 B14R2.1131 CSc1cnc(c2c1cccc2)C 62a_100010239772_200000210301 [0,2,0,0,0,0|1,0,0]=3 3550 B14R2.1131 CSc1cnc(c2c1cccc2)C 62a_200000210301_100010239772 [0,2,0,0,0,0|1,0,0]=3 3551 B14R2.1131 CSc1cnc(c2c1cccc2)N 62a_100010158575_200000210301 [0,2,0,0,0,0|1,0,0]=3 3552 B14R2.1131 CSc1cnc(c2c1cccc2)N 62a_200000210301_100010158575 [0,2,0,0,0,0|1,0,0]=3 3553 B14R2.1131 CSc1cnc(c2c1cccc2)O 62a_200000210301_100009816523 [0,2,0,0,0,0|1,0,0]=3 3554 B14R2.1131 CSc1cnc(c2c1nccc2)Cl 62a_200000210301_200010218400 [0,2,0,0,0,0|2,0,0]=4 3555 B14R2.1131 CSc1cnc(c2c1nccc2)N 62a_100010383929_200000210301 [0,2,0,0,0,0|2,0,0]=4 3556 B14R2.1131 CSc1cnc(c2c1nccc2)N 62a_200000210301_100010383929 [0,2,0,0,0,0|2,0,0]=4 3557 B14R2.1131 CSc1n[nH]c(=O)c2c1cccc2 62a_200000210301_100010235092 [0,2,0,0,0,0|2,0,0]=4 3558 B14R2.1131 CSc1ncc(c2c1cccc2)C 62a_200000210301_100000112005 [0,2,0,0,0,0|1,0,0]=3 3559 B14R2.1131 CSc1ncc(c2c1cccc2)N 62a_200000210301_200009868590 [0,2,0,0,0,0|1,0,0]=3 3560 B14R2.1131 CSc1ncc(c2c1cccc2)O 62a_200000210301_100000067196 [0,2,0,0,0,0|1,0,0]=3 3561 B14R2.1131 CSc1nnc(c2c1cccc2)C 62a_200000210301_100000189618 [0,2,0,0,0,0|2,0,0]=4 3562 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 34a_100000074455_200025704644 [0,2,0,0,0,0|0,0,0]=2 3563 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 7a_100000074455_200025704644 [0,2,0,0,0,0|0,0,0]=2 3564 B14R2.1131 Cc1ccc(c2c1cccc2)S[13CH3] 62a_100011215156_200025704644 [0,2,0,0,0,0|0,0,0]=2 3565 B14R2.1131 Cc1ccc(c2c1cccc2)S[13CH3] 62a_200025704644_100011215156 [0,2,0,0,0,0|0,0,0]=2 3566 B14R2.1131 Cc1ccc(c2c1cccn2)O[13CH3] 34a_100000058672_200025704644 [0,2,0,0,0,0|1,0,0]=3 3567 B14R2.1131 Cc1ccc(c2c1cccn2)O[13CH3] 7a_100000058672_200025704644 [0,2,0,0,0,0|1,0,0]=3 3568 B14R2.1131 Cc1ccc(c2c1nccc2)N[13CH3] 34a_100000736242_200025704644 [0,2,0,0,0,0|1,0,0]=3 3569 B14R2.1131 Cc1ccc(c2c1nccc2)S[13CH3] 62a_200025704644_100000694312 [0,2,0,0,0,0|1,0,0]=3 3570 B14R2.1131 Cc1cnc(c2c1cccc2)S[13CH3] 62a_200025704644_100000112005 [0,2,0,0,0,0|1,0,0]=3 3571 B14R2.1131 Cc1ncc(c2c1cccc2)S[13CH3] 62a_100010239772_200025704644 [0,2,0,0,0,0|1,0,0]=3 3572 B14R2.1131 Cc1ncc(c2c1cccc2)S[13CH3] 62a_200025704644_100010239772 [0,2,0,0,0,0|1,0,0]=3 3573 B14R2.1131 Cc1nnc(c2c1cccc2)O[13CH3] 34a_100000183092_200025704644 [0,2,0,0,0,0|2,0,0]=4 3574 B14R2.1131 Cc1nnc(c2c1cccc2)S[13CH3] 62a_200025704644_100000189618 [0,2,0,0,0,0|2,0,0]=4 3575 B14R2.1131 N#Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012344970 [0,2,0,0,0,0|0,0,1]=3 3576 B14R2.1131 N#Cc1ccc(c2c1nccc2)O 271570a_203496583355_100012663090 [0,2,0,0,0,0|1,0,1]=4 3577 B14R2.1131 N#Cc1cnc(c2c1cccc2)O 271570a_203496583355_100009870299 [0,2,0,0,0,0|1,0,1]=4 3578 B14R2.1131 N#Cc1ncc(c2c1cccc2)O 271570a_203496583355_200010239770 [0,2,0,0,0,0|1,0,1]=4 3579 B14R2.1131 NCc1ccc(c2c1cccc2)O 271570a_203496583355_100016995114 [0,2,0,0,0,0|0,0,0]=2 3580 B14R2.1131 O=Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012359940 [0,2,0,0,0,0|0,0,1]=3 3581 B14R2.1131 O=Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694311 [0,2,0,0,0,0|1,0,1]=4 3582 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Br 34a_100000766797_200025704644 [0,2,0,0,0,0|0,0,0]=2 3583 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Cl 34a_100011216319_200025704644 [0,2,0,0,0,0|0,0,0]=2 3584 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)F 34a_100011988692_200025704644 [0,2,0,0,0,0|0,0,0]=2 3585 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)O 34a_100000705857_200025704644 [0,2,0,0,0,0|0,0,0]=2 3586 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)Br 34a_100012360041_200025704644 [0,2,0,0,0,0|1,0,0]=3 3587 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)Cl 34a_100000746469_200025704644 [0,2,0,0,0,0|1,0,0]=3 3588 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)F 34a_102125277280_200025704644 [0,2,0,0,0,0|1,0,0]=3 3589 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)O 34a_100000188197_200025704644 [0,2,0,0,0,0|1,0,0]=3 3590 B14R2.1131 [13CH3]Nc1ccc(c2c1ccnc2)Cl 34a_100012183343_200025704644 [0,2,0,0,0,0|1,0,0]=3 3591 B14R2.1131 [13CH3]Nc1ccc(c2c1nccc2)Br 34a_100000726955_200025704644 [0,2,0,0,0,0|1,0,0]=3 3592 B14R2.1131 [13CH3]Nc1ccc(c2c1nccc2)Cl 34a_100000736140_200025704644 [0,2,0,0,0,0|1,0,0]=3 3593 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Br 34a_100000186334_200025704644 [0,2,0,0,0,0|0,0,0]=2 3594 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Br 7a_100000186334_200025704644 [0,2,0,0,0,0|0,0,0]=2 3595 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 34a_100000211000_200025704644 [0,2,0,0,0,0|0,0,0]=2 3596 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 7a_100000211000_200025704644 [0,2,0,0,0,0|0,0,0]=2 3597 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)F 34a_100000100223_200025704644 [0,2,0,0,0,0|0,0,0]=2 3598 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)F 7a_100000100223_200025704644 [0,2,0,0,0,0|0,0,0]=2 3599 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)N 34a_100000705857_200025704644 [0,2,0,0,0,0|0,0,0]=2 3600 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)N 7a_100000705857_200025704644 [0,2,0,0,0,0|0,0,0]=2 3601 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Br 34a_100011934063_200025704644 [0,2,0,0,0,0|1,0,0]=3 3602 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Br 7a_100011934063_200025704644 [0,2,0,0,0,0|1,0,0]=3 3603 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Cl 34a_100000212186_200025704644 [0,2,0,0,0,0|1,0,0]=3 3604 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Cl 7a_100000212186_200025704644 [0,2,0,0,0,0|1,0,0]=3 3605 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)F 34a_100000034212_200025704644 [0,2,0,0,0,0|1,0,0]=3 3606 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)F 7a_100000034212_200025704644 [0,2,0,0,0,0|1,0,0]=3 3607 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)N 34a_100000188197_200025704644 [0,2,0,0,0,0|1,0,0]=3 3608 B14R2.1131 [13CH3]Oc1cnc(c2c1cccc2)Cl 34a_100000067196_200025704644 [0,2,0,0,0,0|1,0,0]=3 3609 B14R2.1131 [13CH3]Oc1cnc(c2c1cccc2)Cl 7a_100000067196_200025704644 [0,2,0,0,0,0|1,0,0]=3 3610 B14R2.1131 [13CH3]Sc1c[nH]c(=O)c2c1ccnc2 62a_200025704644_100010090797 [0,2,0,0,0,0|2,0,0]=4 3611 B14R2.1131 [13CH3]Sc1c[nH]c(=O)c2c1nccc2 62a_200025704644_100009998689 [0,2,0,0,0,0|2,0,0]=4 3612 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)Br 62a_100012339872_200025704644 [0,2,0,0,0,0|0,0,0]=2 3613 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)Br 62a_200025704644_100012339872 [0,2,0,0,0,0|0,0,0]=2 3614 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)F 62a_100011218216_200025704644 [0,2,0,0,0,0|0,0,0]=2 3615 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)F 62a_200025704644_100011218216 [0,2,0,0,0,0|0,0,0]=2 3616 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)N 62a_100000766797_200025704644 [0,2,0,0,0,0|0,0,0]=2 3617 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)O 62a_200025704644_100000186334 [0,2,0,0,0,0|0,0,0]=2 3618 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)F 62a_100010245834_200025704644 [0,2,0,0,0,0|1,0,0]=3 3619 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)F 62a_200025704644_100010245834 [0,2,0,0,0,0|1,0,0]=3 3620 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)N 62a_100000726955_200025704644 [0,2,0,0,0,0|1,0,0]=3 3621 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)N 62a_200025704644_100000726955 [0,2,0,0,0,0|1,0,0]=3 3622 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)O 62a_200025704644_100011934063 [0,2,0,0,0,0|1,0,0]=3 3623 B14R2.1131 [13CH3]Sc1ccc(c2c1ccnc2)F 62a_100000698020_200025704644 [0,2,0,0,0,0|1,0,0]=3 3624 B14R2.1131 [13CH3]Sc1ccc(c2c1ccnc2)F 62a_200025704644_100000698020 [0,2,0,0,0,0|1,0,0]=3 3625 B14R2.1131 [13CH3]Sc1ccc(c2c1ccnc2)N 62a_100011218454_200025704644 [0,2,0,0,0,0|1,0,0]=3 3626 B14R2.1131 [13CH3]Sc1ccc(c2c1ccnc2)N 62a_200025704644_100011218454 [0,2,0,0,0,0|1,0,0]=3 3627 B14R2.1131 [13CH3]Sc1ccc(c2c1cncc2)F 62a_100010244717_200025704644 [0,2,0,0,0,0|1,0,0]=3 3628 B14R2.1131 [13CH3]Sc1ccc(c2c1cncc2)F 62a_200025704644_100010244717 [0,2,0,0,0,0|1,0,0]=3 3629 B14R2.1131 [13CH3]Sc1ccc(c2c1cncc2)N 62a_200012344021_200025704644 [0,2,0,0,0,0|1,0,0]=3 3630 B14R2.1131 [13CH3]Sc1ccc(c2c1cncc2)N 62a_200025704644_200012344021 [0,2,0,0,0,0|1,0,0]=3 3631 B14R2.1131 [13CH3]Sc1ccc(c2c1nccc2)F 62a_100010214461_200025704644 [0,2,0,0,0,0|1,0,0]=3 3632 B14R2.1131 [13CH3]Sc1ccc(c2c1nccc2)F 62a_200025704644_100010214461 [0,2,0,0,0,0|1,0,0]=3 3633 B14R2.1131 [13CH3]Sc1ccc(c2c1nccc2)N 62a_100012360041_200025704644 [0,2,0,0,0,0|1,0,0]=3 3634 B14R2.1131 [13CH3]Sc1ccc(c2c1nccc2)N 62a_200025704644_100012360041 [0,2,0,0,0,0|1,0,0]=3 3635 B14R2.1131 [13CH3]Sc1cnc(c2c1cccc2)N 62a_100010158575_200025704644 [0,2,0,0,0,0|1,0,0]=3 3636 B14R2.1131 [13CH3]Sc1cnc(c2c1cccc2)N 62a_200025704644_100010158575 [0,2,0,0,0,0|1,0,0]=3 3637 B14R2.1131 [13CH3]Sc1cnc(c2c1cccc2)O 62a_200025704644_100009816523 [0,2,0,0,0,0|1,0,0]=3 3638 B14R2.1131 [13CH3]Sc1cnc(c2c1nccc2)Cl 62a_200025704644_200010218400 [0,2,0,0,0,0|2,0,0]=4 3639 B14R2.1131 [13CH3]Sc1cnc(c2c1nccc2)N 62a_100010383929_200025704644 [0,2,0,0,0,0|2,0,0]=4 3640 B14R2.1131 [13CH3]Sc1cnc(c2c1nccc2)N 62a_200025704644_100010383929 [0,2,0,0,0,0|2,0,0]=4 3641 B14R2.1131 [13CH3]Sc1n[nH]c(=O)c2c1cccc2 62a_200025704644_100010235092 [0,2,0,0,0,0|2,0,0]=4 3642 B14R2.1131 [13CH3]Sc1ncc(c2c1cccc2)N 62a_200025704644_200009868590 [0,2,0,0,0,0|1,0,0]=3 3643 B14R2.1131 [13CH3]Sc1ncc(c2c1cccc2)O 62a_200025704644_100000067196 [0,2,0,0,0,0|1,0,0]=3 3644 B14R2.1073 C=Cc1cccc2c1cc[n+](c2)[O-] 271570a_100011290941_200010126733 [0,2,0,0,0,0|1,0,1]=4 3645 B14R2.1073 C=Cc1cccc2c1ccc(=O)[nH]2 271570a_100011290941_100000726145 [0,2,0,0,0,0|1,0,1]=4 3646 B14R2.1073 C=Cc1cccc2c1ccc(n2)C 271570a_100011290941_100010173736 [0,2,0,0,0,0|1,0,1]=4 3647 B14R2.1073 C=Cc1cccc2c1ccc(n2)N 271570a_100011290941_100000723655 [0,2,0,0,0,0|1,0,1]=4 3648 B14R2.1073 C=Cc1cccc2c1cnc(c2)N 271570a_100011290941_100010201637 [0,2,0,0,0,0|1,0,1]=4 3649 B14R2.1073 C=Cc1cccc2c1cnc(c2)O 271570a_100011290941_100009817091 [0,2,0,0,0,0|1,0,1]=4 3650 B14R2.1073 C=Cc1ccnc2c1ccc(c2)Cl 271570a_100011290941_100012352046 [0,2,0,0,0,0|1,0,1]=4 3651 B14R2.1073 C=Cc1ccnc2c1ccc(c2)F 271570a_100011290941_100000755548 [0,2,0,0,0,0|1,0,1]=4 3652 B14R2.1073 C=Cc1ccnc2c1ccc(c2)O 271570a_100011290941_100000045489 [0,2,0,0,0,0|1,0,1]=4 3653 B14R2.1073 C=Cc1nccc2c1ccc(c2)C 271570a_100011290941_100000102439 [0,2,0,0,0,0|1,0,1]=4 3654 B14R2.1073 C=Cc1nccc2c1ccc(c2)F 271570a_100011290941_100000097391 [0,2,0,0,0,0|1,0,1]=4 3655 B14R2.1073 C=Cc1nccc2c1ccc(c2)O 271570a_100011290941_100009867704 [0,2,0,0,0,0|1,0,1]=4 3656 B14R2.1073 CNc1cccc2c1ccc(c2)Br 34a_100010090037_200000210301 [0,2,0,0,0,0|0,0,0]=2 3657 B14R2.1073 CNc1cccc2c1ccc(c2)O 34a_100000034668_200000210301 [0,2,0,0,0,0|0,0,0]=2 3658 B14R2.1073 CNc1cccc2c1ccc(n2)C 27a_100102657272_100010173736 [0,2,0,0,0,0|1,0,0]=3 3659 B14R2.1073 CNc1cccc2c1ccc(n2)C 34a_106741707140_200000210301 [0,2,0,0,0,0|1,0,0]=3 3660 B14R2.1073 CNc1cccc2c1cnc(n2)N 27a_100102657272_100010209551 [0,2,0,0,0,0|2,0,0]=4 3661 B14R2.1073 CNc1cccc2c1ncc(c2)Br 34a_100000702407_200000210301 [0,2,0,0,0,0|1,0,0]=3 3662 B14R2.1073 CNc1ccnc2c1ccc(c2)Cl 27a_100102657272_100012352046 [0,2,0,0,0,0|1,0,0]=3 3663 B14R2.1073 CNc1ccnc2c1ccc(c2)F 27a_100102657272_100000755548 [0,2,0,0,0,0|1,0,0]=3 3664 B14R2.1073 CNc1ccnc2c1ccc(c2)O 27a_100102657272_100000045489 [0,2,0,0,0,0|1,0,0]=3 3665 B14R2.1073 CNc1ccnc2c1ncc(c2)F 27a_100102657272_100011072215 [0,2,0,0,0,0|2,0,0]=4 3666 B14R2.1073 CNc1nccc2c1ccc(c2)C 27a_100102657272_100000102439 [0,2,0,0,0,0|1,0,0]=3 3667 B14R2.1073 CNc1nccc2c1ccc(c2)F 27a_100102657272_100000097391 [0,2,0,0,0,0|1,0,0]=3 3668 B14R2.1073 CNc1ncnc2c1ccc(c2)C 27a_100102657272_100000099684 [0,2,0,0,0,0|2,0,0]=4 3669 B14R2.1073 CNc1ncnc2c1ccc(c2)F 27a_100102657272_100000230349 [0,2,0,0,0,0|2,0,0]=4 3670 B14R2.1073 COc1cccc2c1ccc(c2)Br 34a_100010202202_200000210301 [0,2,0,0,0,0|0,0,0]=2 3671 B14R2.1073 COc1cccc2c1ccc(c2)Br 7a_100010202202_200000210301 [0,2,0,0,0,0|0,0,0]=2 3672 B14R2.1073 COc1cccc2c1ccc(c2)F 34a_100009846233_200000210301 [0,2,0,0,0,0|0,0,0]=2 3673 B14R2.1073 COc1cccc2c1ccc(c2)F 7a_100009846233_200000210301 [0,2,0,0,0,0|0,0,0]=2 3674 B14R2.1073 COc1cccc2c1ccc(c2)N 34a_100000035793_200000210301 [0,2,0,0,0,0|0,0,0]=2 3675 B14R2.1073 COc1cccc2c1ccc(n2)O 271570a_203496583355_100010382897 [0,2,0,0,0,0|1,0,0]=3 3676 B14R2.1073 COc1cccc2c1ncc(c2)C 34a_100000144662_200000210301 [0,2,0,0,0,0|1,0,0]=3 3677 B14R2.1073 COc1cccc2c1ncc(c2)C 7a_100000144662_200000210301 [0,2,0,0,0,0|1,0,0]=3 3678 B14R2.1073 COc1cccc2c1ncc(c2)Cl 34a_100009858588_200000210301 [0,2,0,0,0,0|1,0,0]=3 3679 B14R2.1073 COc1cccc2c1ncc(c2)Cl 7a_100009858588_200000210301 [0,2,0,0,0,0|1,0,0]=3 3680 B14R2.1073 COc1cccc2c1ncc(n2)O 271570a_203496583355_100010890105 [0,2,0,0,0,0|2,0,0]=4 3681 B14R2.1073 COc1ccnc2c1ccc(c2)Cl 34a_100011215206_200000210301 [0,2,0,0,0,0|1,0,0]=3 3682 B14R2.1073 COc1ccnc2c1ccc(c2)F 34a_100000004115_200000210301 [0,2,0,0,0,0|1,0,0]=3 3683 B14R2.1073 COc1ccnc2c1ccc(c2)O 271570a_203496583355_100010204255 [0,2,0,0,0,0|1,0,0]=3 3684 B14R2.1073 COc1nccc2c1ccc(c2)Br 34a_100000760485_200000210301 [0,2,0,0,0,0|1,0,0]=3 3685 B14R2.1073 COc1nccc2c1ncc(c2)Br 34a_100010117065_200000210301 [0,2,0,0,0,0|2,0,0]=4 3686 B14R2.1073 COc1ncnc2c1ccc(c2)O 271570a_203496583355_100134615805 [0,2,0,0,0,0|2,0,0]=4 3687 B14R2.1073 CSc1cccc2c1cc[n+](c2)[O-] 62a_200000210301_200010126733 [0,2,0,0,0,0|1,0,0]=3 3688 B14R2.1073 CSc1cccc2c1ccc(=O)[nH]2 62a_200000210301_100000726145 [0,2,0,0,0,0|1,0,0]=3 3689 B14R2.1073 CSc1cccc2c1ccc(n2)C 62a_100010173736_200000210301 [0,2,0,0,0,0|1,0,0]=3 3690 B14R2.1073 CSc1cccc2c1ccc(n2)C 62a_200000210301_100010173736 [0,2,0,0,0,0|1,0,0]=3 3691 B14R2.1073 CSc1cccc2c1ccc(n2)N 62a_100000723655_200000210301 [0,2,0,0,0,0|1,0,0]=3 3692 B14R2.1073 CSc1cccc2c1cnc(c2)N 62a_100010201637_200000210301 [0,2,0,0,0,0|1,0,0]=3 3693 B14R2.1073 CSc1cccc2c1cnc(c2)N 62a_200000210301_100010201637 [0,2,0,0,0,0|1,0,0]=3 3694 B14R2.1073 CSc1cccc2c1cnc(c2)O 62a_200000210301_100009817091 [0,2,0,0,0,0|1,0,0]=3 3695 B14R2.1073 CSc1cccc2c1cnc(n2)N 62a_100010209551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3696 B14R2.1073 CSc1cccc2c1cnc(n2)N 62a_200000210301_100010209551 [0,2,0,0,0,0|2,0,0]=4 3697 B14R2.1073 CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_200000210301 [0,2,0,0,0,0|1,0,0]=3 3698 B14R2.1073 CSc1ccnc2c1ccc(c2)Cl 62a_200000210301_100012352046 [0,2,0,0,0,0|1,0,0]=3 3699 B14R2.1073 CSc1ccnc2c1ccc(c2)F 62a_100000755548_200000210301 [0,2,0,0,0,0|1,0,0]=3 3700 B14R2.1073 CSc1ccnc2c1ccc(c2)F 62a_200000210301_100000755548 [0,2,0,0,0,0|1,0,0]=3 3701 B14R2.1073 CSc1ccnc2c1ccc(c2)O 62a_200000210301_100000045489 [0,2,0,0,0,0|1,0,0]=3 3702 B14R2.1073 CSc1ccnc2c1ncc(c2)F 62a_100011072215_200000210301 [0,2,0,0,0,0|2,0,0]=4 3703 B14R2.1073 CSc1ccnc2c1ncc(c2)F 62a_200000210301_100011072215 [0,2,0,0,0,0|2,0,0]=4 3704 B14R2.1073 CSc1nccc2c1ccc(c2)C 62a_200000210301_100000102439 [0,2,0,0,0,0|1,0,0]=3 3705 B14R2.1073 CSc1nccc2c1ccc(c2)F 62a_200000210301_100000097391 [0,2,0,0,0,0|1,0,0]=3 3706 B14R2.1073 CSc1nccc2c1ccc(c2)O 62a_200000210301_100009867704 [0,2,0,0,0,0|1,0,0]=3 3707 B14R2.1073 CSc1ncnc2c1ccc(c2)C 62a_200000210301_100000099684 [0,2,0,0,0,0|2,0,0]=4 3708 B14R2.1073 CSc1ncnc2c1ccc(c2)F 62a_200000210301_100000230349 [0,2,0,0,0,0|2,0,0]=4 3709 B14R2.1073 Cc1ccc2c(cccc2n1)N[13CH3] 34a_106741707140_200025704644 [0,2,0,0,0,0|1,0,0]=3 3710 B14R2.1073 Cc1ccc2c(cccc2n1)S[13CH3] 62a_100010173736_200025704644 [0,2,0,0,0,0|1,0,0]=3 3711 B14R2.1073 Cc1ccc2c(cccc2n1)S[13CH3] 62a_200025704644_100010173736 [0,2,0,0,0,0|1,0,0]=3 3712 B14R2.1073 Cc1ccc2c(nccc2c1)S[13CH3] 62a_200025704644_100000102439 [0,2,0,0,0,0|1,0,0]=3 3713 B14R2.1073 Cc1ccc2c(ncnc2c1)S[13CH3] 62a_200025704644_100000099684 [0,2,0,0,0,0|2,0,0]=4 3714 B14R2.1073 Cc1cnc2c(cccc2c1)O[13CH3] 34a_100000144662_200025704644 [0,2,0,0,0,0|1,0,0]=3 3715 B14R2.1073 Cc1cnc2c(cccc2c1)O[13CH3] 7a_100000144662_200025704644 [0,2,0,0,0,0|1,0,0]=3 3716 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)Br 34a_100010090037_200025704644 [0,2,0,0,0,0|0,0,0]=2 3717 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)O 34a_100000034668_200025704644 [0,2,0,0,0,0|0,0,0]=2 3718 B14R2.1073 [13CH3]Nc1cccc2c1ncc(c2)Br 34a_100000702407_200025704644 [0,2,0,0,0,0|1,0,0]=3 3719 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 34a_100010202202_200025704644 [0,2,0,0,0,0|0,0,0]=2 3720 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 7a_100010202202_200025704644 [0,2,0,0,0,0|0,0,0]=2 3721 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 34a_100009846233_200025704644 [0,2,0,0,0,0|0,0,0]=2 3722 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 7a_100009846233_200025704644 [0,2,0,0,0,0|0,0,0]=2 3723 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)N 34a_100000035793_200025704644 [0,2,0,0,0,0|0,0,0]=2 3724 B14R2.1073 [13CH3]Oc1cccc2c1ncc(c2)Cl 34a_100009858588_200025704644 [0,2,0,0,0,0|1,0,0]=3 3725 B14R2.1073 [13CH3]Oc1cccc2c1ncc(c2)Cl 7a_100009858588_200025704644 [0,2,0,0,0,0|1,0,0]=3 3726 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)Cl 34a_100011215206_200025704644 [0,2,0,0,0,0|1,0,0]=3 3727 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)F 34a_100000004115_200025704644 [0,2,0,0,0,0|1,0,0]=3 3728 B14R2.1073 [13CH3]Oc1nccc2c1ccc(c2)Br 34a_100000760485_200025704644 [0,2,0,0,0,0|1,0,0]=3 3729 B14R2.1073 [13CH3]Oc1nccc2c1ncc(c2)Br 34a_100010117065_200025704644 [0,2,0,0,0,0|2,0,0]=4 3730 B14R2.1073 [13CH3]Sc1cccc2c1cc[n+](c2)[O-] 62a_200025704644_200010126733 [0,2,0,0,0,0|1,0,0]=3 3731 B14R2.1073 [13CH3]Sc1cccc2c1ccc(=O)[nH]2 62a_200025704644_100000726145 [0,2,0,0,0,0|1,0,0]=3 3732 B14R2.1073 [13CH3]Sc1cccc2c1ccc(n2)N 62a_100000723655_200025704644 [0,2,0,0,0,0|1,0,0]=3 3733 B14R2.1073 [13CH3]Sc1cccc2c1cnc(c2)N 62a_100010201637_200025704644 [0,2,0,0,0,0|1,0,0]=3 3734 B14R2.1073 [13CH3]Sc1cccc2c1cnc(c2)N 62a_200025704644_100010201637 [0,2,0,0,0,0|1,0,0]=3 3735 B14R2.1073 [13CH3]Sc1cccc2c1cnc(c2)O 62a_200025704644_100009817091 [0,2,0,0,0,0|1,0,0]=3 3736 B14R2.1073 [13CH3]Sc1cccc2c1cnc(n2)N 62a_100010209551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3737 B14R2.1073 [13CH3]Sc1cccc2c1cnc(n2)N 62a_200025704644_100010209551 [0,2,0,0,0,0|2,0,0]=4 3738 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)Cl 62a_100012352046_200025704644 [0,2,0,0,0,0|1,0,0]=3 3739 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)Cl 62a_200025704644_100012352046 [0,2,0,0,0,0|1,0,0]=3 3740 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)F 62a_100000755548_200025704644 [0,2,0,0,0,0|1,0,0]=3 3741 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)F 62a_200025704644_100000755548 [0,2,0,0,0,0|1,0,0]=3 3742 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)O 62a_200025704644_100000045489 [0,2,0,0,0,0|1,0,0]=3 3743 B14R2.1073 [13CH3]Sc1ccnc2c1ncc(c2)F 62a_100011072215_200025704644 [0,2,0,0,0,0|2,0,0]=4 3744 B14R2.1073 [13CH3]Sc1ccnc2c1ncc(c2)F 62a_200025704644_100011072215 [0,2,0,0,0,0|2,0,0]=4 3745 B14R2.1073 [13CH3]Sc1nccc2c1ccc(c2)F 62a_200025704644_100000097391 [0,2,0,0,0,0|1,0,0]=3 3746 B14R2.1073 [13CH3]Sc1nccc2c1ccc(c2)O 62a_200025704644_100009867704 [0,2,0,0,0,0|1,0,0]=3 3747 B14R2.1073 [13CH3]Sc1ncnc2c1ccc(c2)F 62a_200025704644_100000230349 [0,2,0,0,0,0|2,0,0]=4 3748 B14R2.7150 C=C=Cc1cccc2c1cccc2 271570a_100015277604_100000210605 [0,2,0,0,0,0|0,0,1]=3 3749 B14R2.7150 C=C=Cc1cccc2c1cccn2 271570a_100015277604_100011290932 [0,2,0,0,0,0|1,0,1]=4 3750 B14R2.7150 C=C=Cc1cccc2c1ccnc2 271570a_100015277604_100000186358 [0,2,0,0,0,0|1,0,1]=4 3751 B14R2.7150 C=C=Cc1cccc2c1cncc2 271570a_100015277604_100000685578 [0,2,0,0,0,0|1,0,1]=4 3752 B14R2.7150 C=C=Cc1cccc2c1nccc2 271570a_100015277604_100011215545 [0,2,0,0,0,0|1,0,1]=4 3753 B14R2.7150 C=C=Cc1ccnc2c1cccc2 271570a_100015277604_100011215880 [0,2,0,0,0,0|1,0,1]=4 3754 B14R2.7150 C=C=Cc1cncc2c1cccc2 271570a_100015277604_100000187577 [0,2,0,0,0,0|1,0,1]=4 3755 B14R2.7150 C=C=Cc1nccc2c1cccc2 271570a_100015277604_100011934041 [0,2,0,0,0,0|1,0,1]=4 3756 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [0,2,0,0,0,0|0,0,0]=2 3757 B14R2.7150 CC=Cc1cccc2c1cccn2 271570a_100016259895_100011290932 [0,2,0,0,0,0|1,0,0]=3 3758 B14R2.7150 CC=Cc1cccc2c1ccnc2 271570a_100016259895_100000186358 [0,2,0,0,0,0|1,0,0]=3 3759 B14R2.7150 CC=Cc1cccc2c1cncc2 271570a_100016259895_100000685578 [0,2,0,0,0,0|1,0,0]=3 3760 B14R2.7150 CC=Cc1cccc2c1cncn2 271570a_100016259895_100009814520 [0,2,0,0,0,0|2,0,0]=4 3761 B14R2.7150 CC=Cc1cccc2c1nccc2 271570a_100016259895_100011215545 [0,2,0,0,0,0|1,0,0]=3 3762 B14R2.7150 CC=Cc1cccc2c1nccn2 271570a_100016259895_100010003881 [0,2,0,0,0,0|2,0,0]=4 3763 B14R2.7150 CC=Cc1cccc2c1ncnc2 271570a_100016259895_100010246313 [0,2,0,0,0,0|2,0,0]=4 3764 B14R2.7150 CC=Cc1ccnc2c1cccc2 271570a_100016259895_100011215880 [0,2,0,0,0,0|1,0,0]=3 3765 B14R2.7150 CC=Cc1ccnc2c1cccn2 271570a_100016259895_100000087570 [0,2,0,0,0,0|2,0,0]=4 3766 B14R2.7150 CC=Cc1ccnc2c1cncc2 271570a_100016259895_100000095135 [0,2,0,0,0,0|2,0,0]=4 3767 B14R2.7150 CC=Cc1cncc2c1cccc2 271570a_100016259895_100000187577 [0,2,0,0,0,0|1,0,0]=3 3768 B14R2.7150 CC=Cc1cncc2c1cccn2 271570a_100016259895_100010211308 [0,2,0,0,0,0|2,0,0]=4 3769 B14R2.7150 CC=Cc1cncc2c1ccnc2 271570a_100016259895_100010134378 [0,2,0,0,0,0|2,0,0]=4 3770 B14R2.7150 CC=Cc1cnnc2c1cccc2 271570a_100016259895_100000063506 [0,2,0,0,0,0|2,0,0]=4 3771 B14R2.7150 CC=Cc1nccc2c1cccc2 271570a_100016259895_100011934041 [0,2,0,0,0,0|1,0,0]=3 3772 B14R2.7150 CC=Cc1nccc2c1cccn2 271570a_100016259895_100000077681 [0,2,0,0,0,0|2,0,0]=4 3773 B14R2.7150 CC=Cc1nccc2c1cncc2 271570a_100016259895_100000116921 [0,2,0,0,0,0|2,0,0]=4 3774 B14R2.7150 CC=Cc1nccc2c1nccc2 271570a_100016259895_100010063729 [0,2,0,0,0,0|2,0,0]=4 3775 B14R2.7150 CC=Cc1ncnc2c1cccc2 271570a_100016259895_100000217608 [0,2,0,0,0,0|2,0,0]=4 3776 B14R2.7150 CCNc1cccc2c1cccc2 34a_100000185869_100000210202 [0,2,0,0,0,0|0,0,0]=2 3777 B14R2.7150 CCNc1cccc2c1cccn2 27a_100015525214_100011290932 [0,2,0,0,0,0|1,0,0]=3 3778 B14R2.7150 CCNc1cccc2c1cccn2 34a_100000183906_100000210202 [0,2,0,0,0,0|1,0,0]=3 3779 B14R2.7150 CCNc1cccc2c1cncn2 27a_100015525214_100009814520 [0,2,0,0,0,0|2,0,0]=4 3780 B14R2.7150 CCNc1cccc2c1nccc2 34a_100000181377_100000210202 [0,2,0,0,0,0|1,0,0]=3 3781 B14R2.7150 CCNc1cccc2c1nccn2 27a_100015525214_100010003881 [0,2,0,0,0,0|2,0,0]=4 3782 B14R2.7150 CCNc1cccc2c1ncnc2 27a_100015525214_100010246313 [0,2,0,0,0,0|2,0,0]=4 3783 B14R2.7150 CCNc1ccnc2c1cccc2 27a_100015525214_100011215880 [0,2,0,0,0,0|1,0,0]=3 3784 B14R2.7150 CCNc1ccnc2c1cccn2 27a_100015525214_100000087570 [0,2,0,0,0,0|2,0,0]=4 3785 B14R2.7150 CCNc1ccnc2c1cncc2 27a_100015525214_100000095135 [0,2,0,0,0,0|2,0,0]=4 3786 B14R2.7150 CCNc1cncc2c1cccn2 27a_100015525214_100010211308 [0,2,0,0,0,0|2,0,0]=4 3787 B14R2.7150 CCNc1cnnc2c1cccc2 27a_100015525214_100000063506 [0,2,0,0,0,0|2,0,0]=4 3788 B14R2.7150 CCNc1nccc2c1cccc2 27a_100015525214_100011934041 [0,2,0,0,0,0|1,0,0]=3 3789 B14R2.7150 CCNc1nccc2c1cccn2 27a_100015525214_100000077681 [0,2,0,0,0,0|2,0,0]=4 3790 B14R2.7150 CCNc1nccc2c1cncc2 27a_100015525214_100000116921 [0,2,0,0,0,0|2,0,0]=4 3791 B14R2.7150 CCNc1nccc2c1nccc2 27a_100015525214_100010063729 [0,2,0,0,0,0|2,0,0]=4 3792 B14R2.7150 CCNc1ncnc2c1cccc2 27a_100015525214_100000217608 [0,2,0,0,0,0|2,0,0]=4 3793 B14R2.7150 CCOc1cccc2c1CC=CC2 34a_100000074931_100000210202 [0,2,0,0,0,0|0,0,2]=4 3794 B14R2.7150 CCOc1cccc2c1CC=CC2 7a_100000074931_100000210202 [0,2,0,0,0,0|0,0,2]=4 3795 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [0,2,0,0,0,0|0,0,0]=2 3796 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [0,2,0,0,0,0|0,0,0]=2 3797 B14R2.7150 CCOc1cccc2c1cccn2 34a_100011197808_100000210202 [0,2,0,0,0,0|1,0,0]=3 3798 B14R2.7150 CCOc1cccc2c1ccnc2 34a_100011218533_100000210202 [0,2,0,0,0,0|1,0,0]=3 3799 B14R2.7150 CCOc1cccc2c1cncc2 34a_103624766955_100000210202 [0,2,0,0,0,0|1,0,0]=3 3800 B14R2.7150 CCOc1cccc2c1nccc2 34a_100000056035_100000210202 [0,2,0,0,0,0|1,0,0]=3 3801 B14R2.7150 CCOc1cccc2c1nccn2 34a_100000077048_100000210202 [0,2,0,0,0,0|2,0,0]=4 3802 B14R2.7150 CCOc1cccc2c1ncnc2 34a_200000077003_100000210202 [0,2,0,0,0,0|2,0,0]=4 3803 B14R2.7150 CCOc1cncc2c1cccc2 34a_100000066178_100000210202 [0,2,0,0,0,0|1,0,0]=3 3804 B14R2.7150 CCOc1cncc2c1cccc2 7a_100000066178_100000210202 [0,2,0,0,0,0|1,0,0]=3 3805 B14R2.7150 CCOc1nccc2c1cccc2 34a_102531767632_100000210202 [0,2,0,0,0,0|1,0,0]=3 3806 B14R2.7150 CCSc1cccc2c1cccc2 62a_100000210202_100000210605 [0,2,0,0,0,0|0,0,0]=2 3807 B14R2.7150 CCSc1cccc2c1cccn2 62a_100000210202_100011290932 [0,2,0,0,0,0|1,0,0]=3 3808 B14R2.7150 CCSc1cccc2c1cccn2 62a_100011290932_100000210202 [0,2,0,0,0,0|1,0,0]=3 3809 B14R2.7150 CCSc1cccc2c1ccnc2 62a_100000186358_100000210202 [0,2,0,0,0,0|1,0,0]=3 3810 B14R2.7150 CCSc1cccc2c1ccnc2 62a_100000210202_100000186358 [0,2,0,0,0,0|1,0,0]=3 3811 B14R2.7150 CCSc1cccc2c1cncc2 62a_100000210202_100000685578 [0,2,0,0,0,0|1,0,0]=3 3812 B14R2.7150 CCSc1cccc2c1cncc2 62a_100000685578_100000210202 [0,2,0,0,0,0|1,0,0]=3 3813 B14R2.7150 CCSc1cccc2c1cncn2 62a_100000210202_100009814520 [0,2,0,0,0,0|2,0,0]=4 3814 B14R2.7150 CCSc1cccc2c1cncn2 62a_100009814520_100000210202 [0,2,0,0,0,0|2,0,0]=4 3815 B14R2.7150 CCSc1cccc2c1nccc2 62a_100000210202_100011215545 [0,2,0,0,0,0|1,0,0]=3 3816 B14R2.7150 CCSc1cccc2c1nccn2 62a_100000210202_100010003881 [0,2,0,0,0,0|2,0,0]=4 3817 B14R2.7150 CCSc1cccc2c1nccn2 62a_100010003881_100000210202 [0,2,0,0,0,0|2,0,0]=4 3818 B14R2.7150 CCSc1cccc2c1ncnc2 62a_100000210202_100010246313 [0,2,0,0,0,0|2,0,0]=4 3819 B14R2.7150 CCSc1cccc2c1ncnc2 62a_100010246313_100000210202 [0,2,0,0,0,0|2,0,0]=4 3820 B14R2.7150 CCSc1ccnc2c1cccc2 62a_100000210202_100011215880 [0,2,0,0,0,0|1,0,0]=3 3821 B14R2.7150 CCSc1ccnc2c1cccc2 62a_100011458314_100000210202 [0,2,0,0,0,0|1,0,0]=3 3822 B14R2.7150 CCSc1ccnc2c1cccn2 62a_100000087570_100000210202 [0,2,0,0,0,0|2,0,0]=4 3823 B14R2.7150 CCSc1ccnc2c1cccn2 62a_100000210202_100000087570 [0,2,0,0,0,0|2,0,0]=4 3824 B14R2.7150 CCSc1ccnc2c1cncc2 62a_100000095135_100000210202 [0,2,0,0,0,0|2,0,0]=4 3825 B14R2.7150 CCSc1ccnc2c1cncc2 62a_100000210202_100000095135 [0,2,0,0,0,0|2,0,0]=4 3826 B14R2.7150 CCSc1cncc2c1cccc2 62a_100000187577_100000210202 [0,2,0,0,0,0|1,0,0]=3 3827 B14R2.7150 CCSc1cncc2c1cccc2 62a_100000210202_100000187577 [0,2,0,0,0,0|1,0,0]=3 3828 B14R2.7150 CCSc1cncc2c1cccn2 62a_100000210202_100010211308 [0,2,0,0,0,0|2,0,0]=4 3829 B14R2.7150 CCSc1cncc2c1cccn2 62a_100010211308_100000210202 [0,2,0,0,0,0|2,0,0]=4 3830 B14R2.7150 CCSc1cncc2c1ccnc2 62a_100000210202_100010134378 [0,2,0,0,0,0|2,0,0]=4 3831 B14R2.7150 CCSc1cncc2c1ccnc2 62a_100010134378_100000210202 [0,2,0,0,0,0|2,0,0]=4 3832 B14R2.7150 CCSc1cnnc2c1cccc2 62a_100000210202_100000063506 [0,2,0,0,0,0|2,0,0]=4 3833 B14R2.7150 CCSc1nccc2c1cccc2 62a_100000210202_100011934041 [0,2,0,0,0,0|1,0,0]=3 3834 B14R2.7150 CCSc1nccc2c1cccc2 62a_100011934041_100000210202 [0,2,0,0,0,0|1,0,0]=3 3835 B14R2.7150 CCSc1nccc2c1cccn2 62a_100000210202_100000077681 [0,2,0,0,0,0|2,0,0]=4 3836 B14R2.7150 CCSc1nccc2c1cncc2 62a_100000210202_100000116921 [0,2,0,0,0,0|2,0,0]=4 3837 B14R2.7150 CCSc1nccc2c1cncc2 62a_200010063730_100000210202 [0,2,0,0,0,0|2,0,0]=4 3838 B14R2.7150 CCSc1nccc2c1nccc2 62a_100000210202_100010063729 [0,2,0,0,0,0|2,0,0]=4 3839 B14R2.7150 CCSc1ncnc2c1cccc2 62a_100000210202_100000217608 [0,2,0,0,0,0|2,0,0]=4 3840 B14R2.7150 CCSc1ncnc2c1cccc2 62a_100000753007_100000210202 [0,2,0,0,0,0|2,0,0]=4 3841 B14R2.7150 CCSc1nncc2c1cccc2 62a_100000210202_100025712358 [0,2,0,0,0,0|2,0,0]=4 3842 B14R2.7150 CNCc1cccc2c1CC=CC2 26a_100102657272_100000074931 [0,2,0,0,0,0|0,0,2]=4 3843 B14R2.7150 CNCc1cccc2c1cccc2 207a_100102657272_100000210074 [0,2,0,0,0,0|0,0,0]=2 3844 B14R2.7150 CNCc1cccc2c1cccc2 2230a_106832991635_100011261445 [0,2,0,0,0,0|0,0,0]=2 3845 B14R2.7150 CNCc1cccc2c1cccc2 270004a_106832991635_100000210074 [0,2,0,0,0,0|0,0,0]=2 3846 B14R2.7150 CNCc1cccc2c1cccc2 34a_100000753325_200000210301 [0,2,0,0,0,0|0,0,0]=2 3847 B14R2.7150 CNCc1cccc2c1cccc2 34a_100102657272_100011261445 [0,2,0,0,0,0|0,0,0]=2 3848 B14R2.7150 CNCc1cccc2c1cccc2 7a_106832991635_100011261445 [0,2,0,0,0,0|0,0,0]=2 3849 B14R2.7150 CNCc1cccc2c1cccn2 207a_100102657272_100000708479 [0,2,0,0,0,0|1,0,0]=3 3850 B14R2.7150 CNCc1cccc2c1cccn2 270004a_106832991635_100000708479 [0,2,0,0,0,0|1,0,0]=3 3851 B14R2.7150 CNCc1cccc2c1ccnc2 207a_100102657272_100000750165 [0,2,0,0,0,0|1,0,0]=3 3852 B14R2.7150 CNCc1cccc2c1ccnc2 2230a_106832991635_100016989825 [0,2,0,0,0,0|1,0,0]=3 3853 B14R2.7150 CNCc1cccc2c1ccnc2 270004a_106832991635_100000750165 [0,2,0,0,0,0|1,0,0]=3 3854 B14R2.7150 CNCc1cccc2c1ccnc2 34a_100102657272_100016989825 [0,2,0,0,0,0|1,0,0]=3 3855 B14R2.7150 CNCc1cccc2c1ccnc2 7a_106832991635_100016989825 [0,2,0,0,0,0|1,0,0]=3 3856 B14R2.7150 CNCc1cccc2c1cncc2 207a_100102657272_100011934574 [0,2,0,0,0,0|1,0,0]=3 3857 B14R2.7150 CNCc1cccc2c1cncc2 270004a_106832991635_100011934574 [0,2,0,0,0,0|1,0,0]=3 3858 B14R2.7150 CNCc1cccc2c1nccc2 207a_100102657272_100000239888 [0,2,0,0,0,0|1,0,0]=3 3859 B14R2.7150 CNCc1cccc2c1nccc2 2230a_106832991635_100000241032 [0,2,0,0,0,0|1,0,0]=3 3860 B14R2.7150 CNCc1cccc2c1nccc2 270004a_106832991635_100000239888 [0,2,0,0,0,0|1,0,0]=3 3861 B14R2.7150 CNCc1cccc2c1nccc2 34a_100102657272_100000241032 [0,2,0,0,0,0|1,0,0]=3 3862 B14R2.7150 CNCc1cccc2c1nccc2 7a_106832991635_100000241032 [0,2,0,0,0,0|1,0,0]=3 3863 B14R2.7150 CNCc1cccc2c1nccn2 270004a_106832991635_100011996249 [0,2,0,0,0,0|2,0,0]=4 3864 B14R2.7150 CNCc1ccnc2c1cccc2 2230a_106832991635_100015192512 [0,2,0,0,0,0|1,0,0]=3 3865 B14R2.7150 CNCc1ccnc2c1cccc2 34a_100102657272_100015192512 [0,2,0,0,0,0|1,0,0]=3 3866 B14R2.7150 CNCc1ccnc2c1cccc2 7a_106832991635_100015192512 [0,2,0,0,0,0|1,0,0]=3 3867 B14R2.7150 CNCc1cncc2c1cccc2 207a_100102657272_100000684730 [0,2,0,0,0,0|1,0,0]=3 3868 B14R2.7150 CNCc1cncc2c1cccc2 270004a_106832991635_100000684730 [0,2,0,0,0,0|1,0,0]=3 3869 B14R2.7150 CNCc1nccc2c1cccc2 207a_100102657272_100011361464 [0,2,0,0,0,0|1,0,0]=3 3870 B14R2.7150 CNCc1nccc2c1cccc2 2230a_106832991635_100000033776 [0,2,0,0,0,0|1,0,0]=3 3871 B14R2.7150 CNCc1nccc2c1cccc2 270004a_106832991635_100011361464 [0,2,0,0,0,0|1,0,0]=3 3872 B14R2.7150 CNCc1nccc2c1cccc2 34a_100102657272_100000033776 [0,2,0,0,0,0|1,0,0]=3 3873 B14R2.7150 CNCc1nccc2c1cccc2 7a_106832991635_100000033776 [0,2,0,0,0,0|1,0,0]=3 3874 B14R2.7150 COCc1cccc2c1cccc2 34a_100011216843_200000210301 [0,2,0,0,0,0|0,0,0]=2 3875 B14R2.7150 COCc1cccc2c1cccc2 34a_100138415774_100011261445 [0,2,0,0,0,0|0,0,0]=2 3876 B14R2.7150 COCc1cccc2c1cccc2 7a_100011216843_200000210301 [0,2,0,0,0,0|0,0,0]=2 3877 B14R2.7150 COCc1cccc2c1cccn2 34a_100000709871_200000210301 [0,2,0,0,0,0|1,0,0]=3 3878 B14R2.7150 COCc1cccc2c1ccnc2 34a_100138415774_100016989825 [0,2,0,0,0,0|1,0,0]=3 3879 B14R2.7150 COCc1cccc2c1nccc2 34a_100011303629_200000210301 [0,2,0,0,0,0|1,0,0]=3 3880 B14R2.7150 COCc1cccc2c1nccc2 34a_100138415774_100000241032 [0,2,0,0,0,0|1,0,0]=3 3881 B14R2.7150 COCc1ccnc2c1cccc2 34a_100138415774_100015192512 [0,2,0,0,0,0|1,0,0]=3 3882 B14R2.7150 COCc1nccc2c1cccc2 34a_100138415774_100000033776 [0,2,0,0,0,0|1,0,0]=3 3883 B14R2.7150 CSCc1cccc2c1cccc2 62a_100011261445_200000210301 [0,2,0,0,0,0|0,0,0]=2 3884 B14R2.7150 CSCc1cccc2c1cccc2 62a_200000210301_100000188474 [0,2,0,0,0,0|0,0,0]=2 3885 B14R2.7150 CSCc1cccc2c1ccnc2 62a_100016989825_200000210301 [0,2,0,0,0,0|1,0,0]=3 3886 B14R2.7150 CSCc1cccc2c1ccnc2 62a_200000210301_100016989825 [0,2,0,0,0,0|1,0,0]=3 3887 B14R2.7150 CSCc1cccc2c1nccc2 62a_200000210301_100000241032 [0,2,0,0,0,0|1,0,0]=3 3888 B14R2.7150 CSCc1ccnc2c1cccc2 62a_100015192512_200000210301 [0,2,0,0,0,0|1,0,0]=3 3889 B14R2.7150 CSCc1ccnc2c1cccc2 62a_200000210301_100015192512 [0,2,0,0,0,0|1,0,0]=3 3890 B14R2.7150 CSCc1nccc2c1cccc2 62a_100000033776_200000210301 [0,2,0,0,0,0|1,0,0]=3 3891 B14R2.7150 CSCc1nccc2c1cccc2 62a_200000210301_100000033776 [0,2,0,0,0,0|1,0,0]=3 3892 B14R2.7150 FCNc1cccc2c1cccc2 34a_100000185869_100015361967 [0,2,0,0,0,0|0,0,0]=2 3893 B14R2.7150 FCNc1cccc2c1cccn2 34a_100000183906_100015361967 [0,2,0,0,0,0|1,0,0]=3 3894 B14R2.7150 FCNc1cccc2c1nccc2 34a_100000181377_100015361967 [0,2,0,0,0,0|1,0,0]=3 3895 B14R2.7150 FCOc1cccc2c1CC=CC2 34a_100000074931_100015361967 [0,2,0,0,0,0|0,0,2]=4 3896 B14R2.7150 FCOc1cccc2c1CC=CC2 7a_100000074931_100015361967 [0,2,0,0,0,0|0,0,2]=4 3897 B14R2.7150 FCOc1cccc2c1cccc2 34a_100000210388_100015361967 [0,2,0,0,0,0|0,0,0]=2 3898 B14R2.7150 FCOc1cccc2c1cccc2 7a_100000210388_100015361967 [0,2,0,0,0,0|0,0,0]=2 3899 B14R2.7150 FCOc1cccc2c1cccn2 34a_100011197808_100015361967 [0,2,0,0,0,0|1,0,0]=3 3900 B14R2.7150 FCOc1cccc2c1ccnc2 34a_100011218533_100015361967 [0,2,0,0,0,0|1,0,0]=3 3901 B14R2.7150 FCOc1cccc2c1cncc2 34a_103624766955_100015361967 [0,2,0,0,0,0|1,0,0]=3 3902 B14R2.7150 FCOc1cccc2c1nccc2 34a_100000056035_100015361967 [0,2,0,0,0,0|1,0,0]=3 3903 B14R2.7150 FCOc1cccc2c1nccn2 34a_100000077048_100015361967 [0,2,0,0,0,0|2,0,0]=4 3904 B14R2.7150 FCOc1cccc2c1ncnc2 34a_200000077003_100015361967 [0,2,0,0,0,0|2,0,0]=4 3905 B14R2.7150 FCOc1cncc2c1cccc2 34a_100000066178_100015361967 [0,2,0,0,0,0|1,0,0]=3 3906 B14R2.7150 FCOc1cncc2c1cccc2 7a_100000066178_100015361967 [0,2,0,0,0,0|1,0,0]=3 3907 B14R2.7150 FCOc1nccc2c1cccc2 34a_102531767632_100015361967 [0,2,0,0,0,0|1,0,0]=3 3908 B14R2.7150 FCSc1cccc2c1cccc2 62a_100015361967_100000210605 [0,2,0,0,0,0|0,0,0]=2 3909 B14R2.7150 FCSc1cccc2c1cccn2 62a_100011290932_100015361967 [0,2,0,0,0,0|1,0,0]=3 3910 B14R2.7150 FCSc1cccc2c1cccn2 62a_100015361967_100011290932 [0,2,0,0,0,0|1,0,0]=3 3911 B14R2.7150 FCSc1cccc2c1ccnc2 62a_100000186358_100015361967 [0,2,0,0,0,0|1,0,0]=3 3912 B14R2.7150 FCSc1cccc2c1ccnc2 62a_100015361967_100000186358 [0,2,0,0,0,0|1,0,0]=3 3913 B14R2.7150 FCSc1cccc2c1cncc2 62a_100000685578_100015361967 [0,2,0,0,0,0|1,0,0]=3 3914 B14R2.7150 FCSc1cccc2c1cncc2 62a_100015361967_100000685578 [0,2,0,0,0,0|1,0,0]=3 3915 B14R2.7150 FCSc1cccc2c1cncn2 62a_100009814520_100015361967 [0,2,0,0,0,0|2,0,0]=4 3916 B14R2.7150 FCSc1cccc2c1cncn2 62a_100015361967_100009814520 [0,2,0,0,0,0|2,0,0]=4 3917 B14R2.7150 FCSc1cccc2c1nccc2 62a_100015361967_100011215545 [0,2,0,0,0,0|1,0,0]=3 3918 B14R2.7150 FCSc1cccc2c1nccn2 62a_100010003881_100015361967 [0,2,0,0,0,0|2,0,0]=4 3919 B14R2.7150 FCSc1cccc2c1nccn2 62a_100015361967_100010003881 [0,2,0,0,0,0|2,0,0]=4 3920 B14R2.7150 FCSc1cccc2c1ncnc2 62a_100010246313_100015361967 [0,2,0,0,0,0|2,0,0]=4 3921 B14R2.7150 FCSc1cccc2c1ncnc2 62a_100015361967_100010246313 [0,2,0,0,0,0|2,0,0]=4 3922 B14R2.7150 FCSc1ccnc2c1cccc2 62a_100011458314_100015361967 [0,2,0,0,0,0|1,0,0]=3 3923 B14R2.7150 FCSc1ccnc2c1cccc2 62a_100015361967_100011215880 [0,2,0,0,0,0|1,0,0]=3 3924 B14R2.7150 FCSc1ccnc2c1cccn2 62a_100000087570_100015361967 [0,2,0,0,0,0|2,0,0]=4 3925 B14R2.7150 FCSc1ccnc2c1cccn2 62a_100015361967_100000087570 [0,2,0,0,0,0|2,0,0]=4 3926 B14R2.7150 FCSc1ccnc2c1cncc2 62a_100000095135_100015361967 [0,2,0,0,0,0|2,0,0]=4 3927 B14R2.7150 FCSc1ccnc2c1cncc2 62a_100015361967_100000095135 [0,2,0,0,0,0|2,0,0]=4 3928 B14R2.7150 FCSc1cncc2c1cccc2 62a_100000187577_100015361967 [0,2,0,0,0,0|1,0,0]=3 3929 B14R2.7150 FCSc1cncc2c1cccc2 62a_100015361967_100000187577 [0,2,0,0,0,0|1,0,0]=3 3930 B14R2.7150 FCSc1cncc2c1cccn2 62a_100010211308_100015361967 [0,2,0,0,0,0|2,0,0]=4 3931 B14R2.7150 FCSc1cncc2c1cccn2 62a_100015361967_100010211308 [0,2,0,0,0,0|2,0,0]=4 3932 B14R2.7150 FCSc1cncc2c1ccnc2 62a_100010134378_100015361967 [0,2,0,0,0,0|2,0,0]=4 3933 B14R2.7150 FCSc1cncc2c1ccnc2 62a_100015361967_100010134378 [0,2,0,0,0,0|2,0,0]=4 3934 B14R2.7150 FCSc1cnnc2c1cccc2 62a_100015361967_100000063506 [0,2,0,0,0,0|2,0,0]=4 3935 B14R2.7150 FCSc1nccc2c1cccc2 62a_100011934041_100015361967 [0,2,0,0,0,0|1,0,0]=3 3936 B14R2.7150 FCSc1nccc2c1cccc2 62a_100015361967_100011934041 [0,2,0,0,0,0|1,0,0]=3 3937 B14R2.7150 FCSc1nccc2c1cccn2 62a_100015361967_100000077681 [0,2,0,0,0,0|2,0,0]=4 3938 B14R2.7150 FCSc1nccc2c1cncc2 62a_100015361967_100000116921 [0,2,0,0,0,0|2,0,0]=4 3939 B14R2.7150 FCSc1nccc2c1cncc2 62a_200010063730_100015361967 [0,2,0,0,0,0|2,0,0]=4 3940 B14R2.7150 FCSc1nccc2c1nccc2 62a_100015361967_100010063729 [0,2,0,0,0,0|2,0,0]=4 3941 B14R2.7150 FCSc1ncnc2c1cccc2 62a_100000753007_100015361967 [0,2,0,0,0,0|2,0,0]=4 3942 B14R2.7150 FCSc1ncnc2c1cccc2 62a_100015361967_100000217608 [0,2,0,0,0,0|2,0,0]=4 3943 B14R2.7150 FCSc1nncc2c1cccc2 62a_100015361967_100025712358 [0,2,0,0,0,0|2,0,0]=4 3944 B14R2.7150 [13CH3]NCc1cccc2c1cccc2 34a_100000753325_200025704644 [0,2,0,0,0,0|0,0,0]=2 3945 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 34a_100011216843_200025704644 [0,2,0,0,0,0|0,0,0]=2 3946 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 7a_100011216843_200025704644 [0,2,0,0,0,0|0,0,0]=2 3947 B14R2.7150 [13CH3]OCc1cccc2c1cccn2 34a_100000709871_200025704644 [0,2,0,0,0,0|1,0,0]=3 3948 B14R2.7150 [13CH3]OCc1cccc2c1nccc2 34a_100011303629_200025704644 [0,2,0,0,0,0|1,0,0]=3 3949 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_100011261445_200025704644 [0,2,0,0,0,0|0,0,0]=2 3950 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_200025704644_100000188474 [0,2,0,0,0,0|0,0,0]=2 3951 B14R2.7150 [13CH3]SCc1cccc2c1ccnc2 62a_100016989825_200025704644 [0,2,0,0,0,0|1,0,0]=3 3952 B14R2.7150 [13CH3]SCc1cccc2c1ccnc2 62a_200025704644_100016989825 [0,2,0,0,0,0|1,0,0]=3 3953 B14R2.7150 [13CH3]SCc1cccc2c1nccc2 62a_200025704644_100000241032 [0,2,0,0,0,0|1,0,0]=3 3954 B14R2.7150 [13CH3]SCc1ccnc2c1cccc2 62a_100015192512_200025704644 [0,2,0,0,0,0|1,0,0]=3 3955 B14R2.7150 [13CH3]SCc1ccnc2c1cccc2 62a_200025704644_100015192512 [0,2,0,0,0,0|1,0,0]=3 3956 B14R2.7150 [13CH3]SCc1nccc2c1cccc2 62a_100000033776_200025704644 [0,2,0,0,0,0|1,0,0]=3 3957 B14R2.7150 [13CH3]SCc1nccc2c1cccc2 62a_200025704644_100000033776 [0,2,0,0,0,0|1,0,0]=3 3958 B14R2.11635 C=Cc1cccc2c1c(ccc2)Br 271570a_100011290941_100010243825 [0,2,0,0,0,0|0,0,1]=3 3959 B14R2.11635 C=Cc1cccc2c1c(ccc2)C 271570a_100011290941_100009995290 [0,2,0,0,0,0|0,0,0]=2 3960 B14R2.11635 C=Cc1cccc2c1c(ccc2)F 271570a_100011290941_100010177852 [0,2,0,0,0,0|0,0,1]=3 3961 B14R2.11635 C=Cc1cccc2c1c(ccc2)N 271570a_100011290941_100010002837 [0,2,0,0,0,0|0,0,1]=3 3962 B14R2.11635 C=Cc1cccc2c1c(ccc2)O 271570a_100011290941_100010089961 [0,2,0,0,0,0|0,0,1]=3 3963 B14R2.11635 C=Cc1cccc2c1c(ccn2)O 271570a_100011290941_100010187735 [0,2,0,0,0,0|1,0,1]=4 3964 B14R2.11635 C=Cc1cccc2c1c(cnc2)C 271570a_100011290941_100009817140 [0,2,0,0,0,0|1,0,0]=3 3965 B14R2.11635 C=Cc1cccc2c1c(ncc2)N 271570a_100011290941_100010291105 [0,2,0,0,0,0|1,0,1]=4 3966 B14R2.11635 C=Cc1cccc2c1c(ncc2)O 271570a_100011290941_100010162479 [0,2,0,0,0,0|1,0,1]=4 3967 B14R2.11635 C=Cc1ccnc2c1c(ccc2)N 271570a_100011290941_100010263589 [0,2,0,0,0,0|1,0,1]=4 3968 B14R2.11635 C=Cc1cncc2c1c(ccc2)N 271570a_100011290941_100000720362 [0,2,0,0,0,0|1,0,1]=4 3969 B14R2.11635 CCc1cccc2c1c(ccc2)O 271570a_203496583355_202517441601 [0,2,0,0,0,0|0,0,0]=2 3970 B14R2.11635 CNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_200000210301 [0,2,0,0,0,0|1,0,0]=3 3971 B14R2.11635 CNc1cccc2c1c(=O)[nH]cn2 27a_100102657272_100000696754 [0,2,0,0,0,0|2,0,0]=4 3972 B14R2.11635 CNc1cccc2c1c(ccc2)Br 34a_100010002837_200000210301 [0,2,0,0,0,0|0,0,0]=2 3973 B14R2.11635 CNc1cccc2c1c(ccc2)C 34a_100009841044_200000210301 [0,2,0,0,0,0|0,0,0]=2 3974 B14R2.11635 CNc1cccc2c1c(ccc2)C 7a_100009841044_200000210301 [0,2,0,0,0,0|0,0,0]=2 3975 B14R2.11635 CNc1cccc2c1c(ccc2)Cl 34a_100009857565_200000210301 [0,2,0,0,0,0|0,0,0]=2 3976 B14R2.11635 CNc1cccc2c1c(ccc2)F 34a_100009878580_200000210301 [0,2,0,0,0,0|0,0,0]=2 3977 B14R2.11635 CNc1cccc2c1c(ccc2)F 7a_100009878580_200000210301 [0,2,0,0,0,0|0,0,0]=2 3978 B14R2.11635 CNc1cccc2c1c(ccn2)Cl 34a_100010263589_200000210301 [0,2,0,0,0,0|1,0,0]=3 3979 B14R2.11635 CNc1cccc2c1c(cnc2)Br 34a_100000720362_200000210301 [0,2,0,0,0,0|1,0,0]=3 3980 B14R2.11635 CNc1cccc2c1c(cnc2)C 34a_100009845824_200000210301 [0,2,0,0,0,0|1,0,0]=3 3981 B14R2.11635 CNc1cccc2c1c(ncn2)N 27a_100102657272_100010171649 [0,2,0,0,0,0|2,0,0]=4 3982 B14R2.11635 CNc1ccnc2c1c(ccc2)N 27a_100102657272_100010263589 [0,2,0,0,0,0|1,0,0]=3 3983 B14R2.11635 CNc1ncnc2c1c(ccc2)F 27a_100102657272_100000743342 [0,2,0,0,0,0|2,0,0]=4 3984 B14R2.11635 COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_200000210301 [0,2,0,0,0,0|1,0,0]=3 3985 B14R2.11635 COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_200000210301 [0,2,0,0,0,0|1,0,0]=3 3986 B14R2.11635 COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3987 B14R2.11635 COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3988 B14R2.11635 COc1cccc2c1c(=O)cco2 34a_100000040341_200000210301 [0,2,0,0,0,0|1,0,0]=3 3989 B14R2.11635 COc1cccc2c1c(=O)cco2 7a_100000040341_200000210301 [0,2,0,0,0,0|1,0,0]=3 3990 B14R2.11635 COc1cccc2c1c(ccc2)Br 34a_100010089961_200000210301 [0,2,0,0,0,0|0,0,0]=2 3991 B14R2.11635 COc1cccc2c1c(ccc2)Br 7a_100010089961_200000210301 [0,2,0,0,0,0|0,0,0]=2 3992 B14R2.11635 COc1cccc2c1c(ccc2)O 271570a_203496583355_100010152499 [0,2,0,0,0,0|0,0,0]=2 3993 B14R2.11635 COc1cccc2c1c(ccn2)O 271570a_203496583355_100010204250 [0,2,0,0,0,0|1,0,0]=3 3994 B14R2.11635 COc1ccnc2c1c(ccc2)Br 34a_100010187735_200000210301 [0,2,0,0,0,0|1,0,0]=3 3995 B14R2.11635 COc1ccnc2c1c(ccc2)C 34a_100000087318_200000210301 [0,2,0,0,0,0|1,0,0]=3 3996 B14R2.11635 COc1nccc2c1c(ccc2)Br 34a_100010162479_200000210301 [0,2,0,0,0,0|1,0,0]=3 3997 B14R2.11635 COc1nccc2c1c(ccc2)Cl 34a_200010297299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3998 B14R2.11635 COc1ncnc2c1c(ccc2)F 34a_100000743385_200000210301 [0,2,0,0,0,0|2,0,0]=4 3999 B14R2.11635 CSc1cccc2c1c(=O)[nH]cn2 62a_200000210301_100000696754 [0,2,0,0,0,0|2,0,0]=4 4000 B14R2.11635 CSc1cccc2c1c(ccc2)Br 62a_100010243825_200000210301 [0,2,0,0,0,0|0,0,0]=2 4001 B14R2.11635 CSc1cccc2c1c(ccc2)Br 62a_200000210301_100010243825 [0,2,0,0,0,0|0,0,0]=2 4002 B14R2.11635 CSc1cccc2c1c(ccc2)C 62a_200000210301_100009995290 [0,2,0,0,0,0|0,0,0]=2 4003 B14R2.11635 CSc1cccc2c1c(ccc2)F 62a_100010177852_200000210301 [0,2,0,0,0,0|0,0,0]=2 4004 B14R2.11635 CSc1cccc2c1c(ccc2)F 62a_200000210301_100010177852 [0,2,0,0,0,0|0,0,0]=2 4005 B14R2.11635 CSc1cccc2c1c(ccc2)N 62a_100010002837_200000210301 [0,2,0,0,0,0|0,0,0]=2 4006 B14R2.11635 CSc1cccc2c1c(ccc2)O 62a_200000210301_100010089961 [0,2,0,0,0,0|0,0,0]=2 4007 B14R2.11635 CSc1cccc2c1c(cnc2)C 62a_200000210301_100009817140 [0,2,0,0,0,0|1,0,0]=3 4008 B14R2.11635 CSc1cccc2c1c(ncc2)N 62a_100010291105_200000210301 [0,2,0,0,0,0|1,0,0]=3 4009 B14R2.11635 CSc1cccc2c1c(ncc2)O 62a_200000210301_100010162479 [0,2,0,0,0,0|1,0,0]=3 4010 B14R2.11635 CSc1cccc2c1c(ncn2)N 62a_100010171649_200000210301 [0,2,0,0,0,0|2,0,0]=4 4011 B14R2.11635 CSc1cncc2c1c(ccc2)N 62a_100000720362_200000210301 [0,2,0,0,0,0|1,0,0]=3 4012 B14R2.11635 CSc1cncc2c1c(ccc2)N 62a_200000210301_100000720362 [0,2,0,0,0,0|1,0,0]=3 4013 B14R2.11635 CSc1ncnc2c1c(ccc2)F 62a_100000743342_200000210301 [0,2,0,0,0,0|2,0,0]=4 4014 B14R2.11635 CSc1ncnc2c1c(ccc2)F 62a_200000210301_100000743342 [0,2,0,0,0,0|2,0,0]=4 4015 B14R2.11635 Cc1cccc2c1c(ccc2)N[13CH3] 34a_100009841044_200025704644 [0,2,0,0,0,0|0,0,0]=2 4016 B14R2.11635 Cc1cccc2c1c(ccc2)N[13CH3] 7a_100009841044_200025704644 [0,2,0,0,0,0|0,0,0]=2 4017 B14R2.11635 Cc1cccc2c1c(ccc2)S[13CH3] 62a_200025704644_100009995290 [0,2,0,0,0,0|0,0,0]=2 4018 B14R2.11635 Cc1cccc2c1c(ccn2)O[13CH3] 34a_100000087318_200025704644 [0,2,0,0,0,0|1,0,0]=3 4019 B14R2.11635 Cc1cncc2c1c(ccc2)N[13CH3] 34a_100009845824_200025704644 [0,2,0,0,0,0|1,0,0]=3 4020 B14R2.11635 Cc1cncc2c1c(ccc2)S[13CH3] 62a_200025704644_100009817140 [0,2,0,0,0,0|1,0,0]=3 4021 B14R2.11635 N#Cc1cccc2c1c(ccc2)O 271570a_203496583355_200010152326 [0,2,0,0,0,0|0,0,1]=3 4022 B14R2.11635 OCc1cccc2c1c(ccc2)O 271570a_203496583355_200009814114 [0,2,0,0,0,0|0,0,0]=2 4023 B14R2.11635 [13CH3]Nc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_200025704644 [0,2,0,0,0,0|1,0,0]=3 4024 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)Br 34a_100010002837_200025704644 [0,2,0,0,0,0|0,0,0]=2 4025 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)Cl 34a_100009857565_200025704644 [0,2,0,0,0,0|0,0,0]=2 4026 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)F 34a_100009878580_200025704644 [0,2,0,0,0,0|0,0,0]=2 4027 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)F 7a_100009878580_200025704644 [0,2,0,0,0,0|0,0,0]=2 4028 B14R2.11635 [13CH3]Nc1cccc2c1c(ccn2)Cl 34a_100010263589_200025704644 [0,2,0,0,0,0|1,0,0]=3 4029 B14R2.11635 [13CH3]Nc1cccc2c1c(cnc2)Br 34a_100000720362_200025704644 [0,2,0,0,0,0|1,0,0]=3 4030 B14R2.11635 [13CH3]Oc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_200025704644 [0,2,0,0,0,0|1,0,0]=3 4031 B14R2.11635 [13CH3]Oc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_200025704644 [0,2,0,0,0,0|1,0,0]=3 4032 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200025704644 [0,2,0,0,0,0|1,0,0]=3 4033 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200025704644 [0,2,0,0,0,0|1,0,0]=3 4034 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)cco2 34a_100000040341_200025704644 [0,2,0,0,0,0|1,0,0]=3 4035 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)cco2 7a_100000040341_200025704644 [0,2,0,0,0,0|1,0,0]=3 4036 B14R2.11635 [13CH3]Oc1cccc2c1c(ccc2)Br 34a_100010089961_200025704644 [0,2,0,0,0,0|0,0,0]=2 4037 B14R2.11635 [13CH3]Oc1cccc2c1c(ccc2)Br 7a_100010089961_200025704644 [0,2,0,0,0,0|0,0,0]=2 4038 B14R2.11635 [13CH3]Oc1ccnc2c1c(ccc2)Br 34a_100010187735_200025704644 [0,2,0,0,0,0|1,0,0]=3 4039 B14R2.11635 [13CH3]Oc1nccc2c1c(ccc2)Br 34a_100010162479_200025704644 [0,2,0,0,0,0|1,0,0]=3 4040 B14R2.11635 [13CH3]Oc1nccc2c1c(ccc2)Cl 34a_200010297299_200025704644 [0,2,0,0,0,0|1,0,0]=3 4041 B14R2.11635 [13CH3]Oc1ncnc2c1c(ccc2)F 34a_100000743385_200025704644 [0,2,0,0,0,0|2,0,0]=4 4042 B14R2.11635 [13CH3]Sc1cccc2c1c(=O)[nH]cn2 62a_200025704644_100000696754 [0,2,0,0,0,0|2,0,0]=4 4043 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)Br 62a_100010243825_200025704644 [0,2,0,0,0,0|0,0,0]=2 4044 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)Br 62a_200025704644_100010243825 [0,2,0,0,0,0|0,0,0]=2 4045 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)F 62a_100010177852_200025704644 [0,2,0,0,0,0|0,0,0]=2 4046 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)F 62a_200025704644_100010177852 [0,2,0,0,0,0|0,0,0]=2 4047 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)N 62a_100010002837_200025704644 [0,2,0,0,0,0|0,0,0]=2 4048 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)O 62a_200025704644_100010089961 [0,2,0,0,0,0|0,0,0]=2 4049 B14R2.11635 [13CH3]Sc1cccc2c1c(ncc2)N 62a_100010291105_200025704644 [0,2,0,0,0,0|1,0,0]=3 4050 B14R2.11635 [13CH3]Sc1cccc2c1c(ncc2)O 62a_200025704644_100010162479 [0,2,0,0,0,0|1,0,0]=3 4051 B14R2.11635 [13CH3]Sc1cccc2c1c(ncn2)N 62a_100010171649_200025704644 [0,2,0,0,0,0|2,0,0]=4 4052 B14R2.11635 [13CH3]Sc1cncc2c1c(ccc2)N 62a_100000720362_200025704644 [0,2,0,0,0,0|1,0,0]=3 4053 B14R2.11635 [13CH3]Sc1cncc2c1c(ccc2)N 62a_200025704644_100000720362 [0,2,0,0,0,0|1,0,0]=3 4054 B14R2.11635 [13CH3]Sc1ncnc2c1c(ccc2)F 62a_100000743342_200025704644 [0,2,0,0,0,0|2,0,0]=4 4055 B14R2.11635 [13CH3]Sc1ncnc2c1c(ccc2)F 62a_200025704644_100000743342 [0,2,0,0,0,0|2,0,0]=4 4056 B14R2.31359 C=C(C)c1cccc2c1cccc2 271570a_100000694244_100000210605 [0,2,0,0,0,0|0,0,0]=2 4057 B14R2.31359 C=C(C)c1cccc2c1cccn2 271570a_100000694244_100011290932 [0,2,0,0,0,0|1,0,0]=3 4058 B14R2.31359 C=C(C)c1cccc2c1ccnc2 271570a_100000694244_100000186358 [0,2,0,0,0,0|1,0,0]=3 4059 B14R2.31359 C=C(C)c1cccc2c1cncc2 271570a_100000694244_100000685578 [0,2,0,0,0,0|1,0,0]=3 4060 B14R2.31359 C=C(C)c1cccc2c1cncn2 271570a_100000694244_100009814520 [0,2,0,0,0,0|2,0,0]=4 4061 B14R2.31359 C=C(C)c1cccc2c1nccc2 271570a_100000694244_100011215545 [0,2,0,0,0,0|1,0,0]=3 4062 B14R2.31359 C=C(C)c1cccc2c1nccn2 271570a_100000694244_100010003881 [0,2,0,0,0,0|2,0,0]=4 4063 B14R2.31359 C=C(C)c1cccc2c1ncnc2 271570a_100000694244_100010246313 [0,2,0,0,0,0|2,0,0]=4 4064 B14R2.31359 C=C(C)c1ccnc2c1cccc2 271570a_100000694244_100011215880 [0,2,0,0,0,0|1,0,0]=3 4065 B14R2.31359 C=C(C)c1ccnc2c1cccn2 271570a_100000694244_100000087570 [0,2,0,0,0,0|2,0,0]=4 4066 B14R2.31359 C=C(C)c1ccnc2c1cncc2 271570a_100000694244_100000095135 [0,2,0,0,0,0|2,0,0]=4 4067 B14R2.31359 C=C(C)c1cncc2c1cccc2 271570a_100000694244_100000187577 [0,2,0,0,0,0|1,0,0]=3 4068 B14R2.31359 C=C(C)c1cncc2c1cccn2 271570a_100000694244_100010211308 [0,2,0,0,0,0|2,0,0]=4 4069 B14R2.31359 C=C(C)c1cncc2c1ccnc2 271570a_100000694244_100010134378 [0,2,0,0,0,0|2,0,0]=4 4070 B14R2.31359 C=C(C)c1cnnc2c1cccc2 271570a_100000694244_100000063506 [0,2,0,0,0,0|2,0,0]=4 4071 B14R2.31359 C=C(C)c1nccc2c1cccc2 271570a_100000694244_100011934041 [0,2,0,0,0,0|1,0,0]=3 4072 B14R2.31359 C=C(C)c1nccc2c1cccn2 271570a_100000694244_100000077681 [0,2,0,0,0,0|2,0,0]=4 4073 B14R2.31359 C=C(C)c1nccc2c1cncc2 271570a_100000694244_100000116921 [0,2,0,0,0,0|2,0,0]=4 4074 B14R2.31359 C=C(C)c1nccc2c1nccc2 271570a_100000694244_100010063729 [0,2,0,0,0,0|2,0,0]=4 4075 B14R2.31359 C=C(C)c1ncnc2c1cccc2 271570a_100000694244_100000217608 [0,2,0,0,0,0|2,0,0]=4 4076 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [0,2,0,0,0,0|0,0,0]=2 4077 B14R2.31359 CC(=O)c1cccc2c1cccn2 1458a_100000241005_200000210301 [0,2,0,0,0,0|1,0,0]=3 4078 B14R2.31359 CC(=O)c1cccc2c1ccnc2 1458a_100011290933_200000210301 [0,2,0,0,0,0|1,0,0]=3 4079 B14R2.31359 CC(=O)c1cccc2c1cncc2 1458a_100011356482_200000210301 [0,2,0,0,0,0|1,0,0]=3 4080 B14R2.31359 CC(=O)c1cccc2c1nccc2 1458a_100000195423_200000210301 [0,2,0,0,0,0|1,0,0]=3 4081 B14R2.31359 CC(=O)c1cccc2c1nccn2 1458a_100000048969_200000210301 [0,2,0,0,0,0|2,0,0]=4 4082 B14R2.31359 CN(C)c1cccc2c1cccc2 2230a_100000220138_200000210301 [0,2,0,0,0,0|0,0,0]=2 4083 B14R2.31359 CN(C)c1cccc2c1cccc2 269982a_100000220138_200000210301 [0,2,0,0,0,0|0,0,0]=2 4084 B14R2.31359 CN(C)c1cccc2c1cccc2 34a_100000220138_200000210301 [0,2,0,0,0,0|0,0,0]=2 4085 B14R2.31359 CN(C)c1cccc2c1cccn2 27a_100102631434_100011290932 [0,2,0,0,0,0|1,0,0]=3 4086 B14R2.31359 CN(C)c1cccc2c1cncn2 27a_100102631434_100009814520 [0,2,0,0,0,0|2,0,0]=4 4087 B14R2.31359 CN(C)c1cccc2c1nccn2 27a_100102631434_100010003881 [0,2,0,0,0,0|2,0,0]=4 4088 B14R2.31359 CN(C)c1cccc2c1ncnc2 27a_100102631434_100010246313 [0,2,0,0,0,0|2,0,0]=4 4089 B14R2.31359 CN(C)c1ccnc2c1cccc2 27a_100102631434_100011215880 [0,2,0,0,0,0|1,0,0]=3 4090 B14R2.31359 CN(C)c1ccnc2c1cccn2 27a_100102631434_100000087570 [0,2,0,0,0,0|2,0,0]=4 4091 B14R2.31359 CN(C)c1ccnc2c1cncc2 27a_100102631434_100000095135 [0,2,0,0,0,0|2,0,0]=4 4092 B14R2.31359 CN(C)c1cncc2c1cccn2 27a_100102631434_100010211308 [0,2,0,0,0,0|2,0,0]=4 4093 B14R2.31359 CN(C)c1cnnc2c1cccc2 27a_100102631434_100000063506 [0,2,0,0,0,0|2,0,0]=4 4094 B14R2.31359 CN(C)c1nccc2c1cccc2 27a_100102631434_100011934041 [0,2,0,0,0,0|1,0,0]=3 4095 B14R2.31359 CN(C)c1nccc2c1cccn2 27a_100102631434_100000077681 [0,2,0,0,0,0|2,0,0]=4 4096 B14R2.31359 CN(C)c1nccc2c1cncc2 27a_100102631434_100000116921 [0,2,0,0,0,0|2,0,0]=4 4097 B14R2.31359 CN(C)c1nccc2c1nccc2 27a_100102631434_100010063729 [0,2,0,0,0,0|2,0,0]=4 4098 B14R2.31359 CN(C)c1ncnc2c1cccc2 27a_100102631434_100000217608 [0,2,0,0,0,0|2,0,0]=4 4099 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 2230a_100000220138_200025704644 [0,2,0,0,0,0|0,0,0]=2 4100 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 269982a_100000220138_200025704644 [0,2,0,0,0,0|0,0,0]=2 4101 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 34a_100000220138_200025704644 [0,2,0,0,0,0|0,0,0]=2 4102 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [0,2,0,0,0,0|0,0,0]=2 4103 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccn2 1458a_100000241005_200025704644 [0,2,0,0,0,0|1,0,0]=3 4104 B14R2.31359 [13CH3]C(=O)c1cccc2c1ccnc2 1458a_100011290933_200025704644 [0,2,0,0,0,0|1,0,0]=3 4105 B14R2.31359 [13CH3]C(=O)c1cccc2c1cncc2 1458a_100011356482_200025704644 [0,2,0,0,0,0|1,0,0]=3 4106 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccc2 1458a_100000195423_200025704644 [0,2,0,0,0,0|1,0,0]=3 4107 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccn2 1458a_100000048969_200025704644 [0,2,0,0,0,0|2,0,0]=4 4108 B14R2.1801 C=Cc1ccc2c(=O)ccoc2c1 271570a_100011290941_100010062221 [0,2,0,0,0,0|2,0,0]=4 4109 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [0,2,0,0,0,0|1,0,0]=3 4110 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [0,2,0,0,0,0|1,0,0]=3 4111 B14R2.1801 C=Cc1ccc2c(ccnc2c1)C 271570a_100011290941_100010132309 [0,2,0,0,0,0|1,0,0]=3 4112 B14R2.1801 C=Cc1ccc2c(ccnc2c1)Cl 271570a_100011290941_100009996786 [0,2,0,0,0,0|2,0,0]=4 4113 B14R2.1801 C=Cc1ccc2c(ccnc2c1)N 271570a_100011290941_200009816820 [0,2,0,0,0,0|2,0,0]=4 4114 B14R2.1801 C=Cc1ccc2c(ccnc2c1)O 271570a_100011290941_100000756855 [0,2,0,0,0,0|2,0,0]=4 4115 B14R2.1801 C=Cc1ccc2c(nccc2c1)N 271570a_100011290941_100000732483 [0,2,0,0,0,0|2,0,0]=4 4116 B14R2.1801 C=Cc1ccc2c(nccc2c1)O 271570a_100011290941_100000760485 [0,2,0,0,0,0|2,0,0]=4 4117 B14R2.1801 C=Cc1cnc2c(cccc2c1)Br 271570a_100011290941_100010204298 [0,2,0,0,0,0|2,0,0]=4 4118 B14R2.1801 C=Cc1cnc2c(cccc2c1)C 271570a_100011290941_100009829671 [0,2,0,0,0,0|1,0,0]=3 4119 B14R2.1801 C=Cc1cnc2c(cccc2c1)Cl 271570a_100011290941_100000759377 [0,2,0,0,0,0|2,0,0]=4 4120 B14R2.1801 C=Cc1cnc2c(cccc2c1)F 271570a_100011290941_100000049890 [0,2,0,0,0,0|2,0,0]=4 4121 B14R2.1801 C=Cc1cnc2c(cccc2c1)N 271570a_100011290941_100000702407 [0,2,0,0,0,0|2,0,0]=4 4122 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [0,2,0,0,0,0|1,0,0]=3 4123 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [0,2,0,0,0,0|1,0,0]=3 4124 B14R2.1801 CNc1ccc2c(ccnc2c1)Cl 27a_100102657272_100009996786 [0,2,0,0,0,0|2,0,0]=4 4125 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [0,2,0,0,0,0|2,0,0]=4 4126 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [0,2,0,0,0,0|2,0,0]=4 4127 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [0,2,0,0,0,0|2,0,0]=4 4128 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [0,2,0,0,0,0|2,0,0]=4 4129 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [0,2,0,0,0,0|1,0,0]=3 4130 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [0,2,0,0,0,0|1,0,0]=3 4131 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [0,2,0,0,0,0|1,0,0]=3 4132 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [0,2,0,0,0,0|2,0,0]=4 4133 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [0,2,0,0,0,0|2,0,0]=4 4134 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [0,2,0,0,0,0|1,0,0]=3 4135 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [0,2,0,0,0,0|1,0,0]=3 4136 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [0,2,0,0,0,0|2,0,0]=4 4137 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [0,2,0,0,0,0|2,0,0]=4 4138 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [0,2,0,0,0,0|2,0,0]=4 4139 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [0,2,0,0,0,0|2,0,0]=4 4140 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [0,2,0,0,0,0|2,0,0]=4 4141 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,2,0,0,0,0|2,0,0]=4 4142 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [0,2,0,0,0,0|2,0,0]=4 4143 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [0,2,0,0,0,0|2,0,0]=4 4144 B14R2.1801 CSc1ccc2c(=O)ccoc2c1 62a_200000210301_100010062221 [0,2,0,0,0,0|2,0,0]=4 4145 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [0,2,0,0,0,0|1,0,0]=3 4146 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [0,2,0,0,0,0|1,0,0]=3 4147 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [0,2,0,0,0,0|1,0,0]=3 4148 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_100010132309_200000210301 [0,2,0,0,0,0|1,0,0]=3 4149 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_200000210301_100010132309 [0,2,0,0,0,0|1,0,0]=3 4150 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_200000210301 [0,2,0,0,0,0|2,0,0]=4 4151 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_200000210301_100009996786 [0,2,0,0,0,0|2,0,0]=4 4152 B14R2.1801 CSc1ccc2c(ccnc2c1)N 62a_200009816820_200000210301 [0,2,0,0,0,0|2,0,0]=4 4153 B14R2.1801 CSc1ccc2c(ccnc2c1)O 62a_200000210301_100000756855 [0,2,0,0,0,0|2,0,0]=4 4154 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_100000732483_200000210301 [0,2,0,0,0,0|2,0,0]=4 4155 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_200000210301_100000732483 [0,2,0,0,0,0|2,0,0]=4 4156 B14R2.1801 CSc1ccc2c(nccc2c1)O 62a_200000210301_100000760485 [0,2,0,0,0,0|2,0,0]=4 4157 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_100010204298_200000210301 [0,2,0,0,0,0|2,0,0]=4 4158 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_200000210301_100010204298 [0,2,0,0,0,0|2,0,0]=4 4159 B14R2.1801 CSc1cnc2c(cccc2c1)C 62a_200000210301_100009829671 [0,2,0,0,0,0|1,0,0]=3 4160 B14R2.1801 CSc1cnc2c(cccc2c1)Cl 62a_200000210301_100000759377 [0,2,0,0,0,0|2,0,0]=4 4161 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_100000049890_200000210301 [0,2,0,0,0,0|2,0,0]=4 4162 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_200000210301_100000049890 [0,2,0,0,0,0|2,0,0]=4 4163 B14R2.1801 CSc1cnc2c(cccc2c1)N 62a_200000210301_100000702407 [0,2,0,0,0,0|2,0,0]=4 4164 B14R2.1801 Cc1cccc2c1ncc(c2)S[13CH3] 62a_200025704644_100009829671 [0,2,0,0,0,0|1,0,0]=3 4165 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [0,2,0,0,0,0|1,0,0]=3 4166 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [0,2,0,0,0,0|1,0,0]=3 4167 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_100010132309_200025704644 [0,2,0,0,0,0|1,0,0]=3 4168 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010132309 [0,2,0,0,0,0|1,0,0]=3 4169 B14R2.1801 N#Cc1ccc2c(cccc2c1)O 271570a_203496583355_100010090035 [0,2,0,0,0,0|1,0,0]=3 4170 B14R2.1801 N#Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010235449 [0,2,0,0,0,0|2,0,0]=4 4171 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [0,2,0,0,0,0|1,0,0]=3 4172 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [0,2,0,0,0,0|1,0,0]=3 4173 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [0,2,0,0,0,0|2,0,0]=4 4174 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [0,2,0,0,0,0|2,0,0]=4 4175 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [0,2,0,0,0,0|2,0,0]=4 4176 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [0,2,0,0,0,0|2,0,0]=4 4177 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [0,2,0,0,0,0|1,0,0]=3 4178 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [0,2,0,0,0,0|1,0,0]=3 4179 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [0,2,0,0,0,0|2,0,0]=4 4180 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [0,2,0,0,0,0|2,0,0]=4 4181 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [0,2,0,0,0,0|2,0,0]=4 4182 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [0,2,0,0,0,0|2,0,0]=4 4183 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [0,2,0,0,0,0|2,0,0]=4 4184 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [0,2,0,0,0,0|2,0,0]=4 4185 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [0,2,0,0,0,0|2,0,0]=4 4186 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [0,2,0,0,0,0|2,0,0]=4 4187 B14R2.1801 [13CH3]Sc1ccc2c(=O)ccoc2c1 62a_200025704644_100010062221 [0,2,0,0,0,0|2,0,0]=4 4188 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [0,2,0,0,0,0|1,0,0]=3 4189 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [0,2,0,0,0,0|1,0,0]=3 4190 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [0,2,0,0,0,0|1,0,0]=3 4191 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_200025704644 [0,2,0,0,0,0|2,0,0]=4 4192 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_200025704644_100009996786 [0,2,0,0,0,0|2,0,0]=4 4193 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)N 62a_200009816820_200025704644 [0,2,0,0,0,0|2,0,0]=4 4194 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)O 62a_200025704644_100000756855 [0,2,0,0,0,0|2,0,0]=4 4195 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_100000732483_200025704644 [0,2,0,0,0,0|2,0,0]=4 4196 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_200025704644_100000732483 [0,2,0,0,0,0|2,0,0]=4 4197 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)O 62a_200025704644_100000760485 [0,2,0,0,0,0|2,0,0]=4 4198 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_100010204298_200025704644 [0,2,0,0,0,0|2,0,0]=4 4199 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_200025704644_100010204298 [0,2,0,0,0,0|2,0,0]=4 4200 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Cl 62a_200025704644_100000759377 [0,2,0,0,0,0|2,0,0]=4 4201 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_100000049890_200025704644 [0,2,0,0,0,0|2,0,0]=4 4202 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_200025704644_100000049890 [0,2,0,0,0,0|2,0,0]=4 4203 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)N 62a_200025704644_100000702407 [0,2,0,0,0,0|2,0,0]=4 4204 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,1,1,0,0|0,0,2]=4 4205 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,1,1,0,0|1,0,1]=4 4206 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,0,1,1,0,0|1,0,1]=4 4207 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,0,1,1,0,0|2,0,0]=4 4208 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,0,1,1,0,0|1,0,1]=4 4209 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,0,1,1,0,0|2,0,0]=4 4210 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,0,1,1,0,0|2,0,0]=4 4211 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,0,1,1,0,0|1,0,0]=3 4212 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,0,1,1,0,0|1,0,0]=3 4213 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [0,0,1,1,0,0|1,0,0]=3 4214 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [0,0,1,1,0,0|1,0,0]=3 4215 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,0,1,1,0,0|1,0,1]=4 4216 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,0,1,1,0,0|1,0,1]=4 4217 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [0,0,1,1,0,0|1,0,1]=4 4218 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [0,0,1,1,0,0|1,0,1]=4 4219 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,0,1,1,0,0|2,0,0]=4 4220 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,0,1,1,0,0|2,0,0]=4 4221 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,0,1,1,0,0|2,0,0]=4 4222 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,0,1,1,0,0|2,0,0]=4 4223 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [0,0,1,1,0,0|2,0,0]=4 4224 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,0,1,1,0,0|2,0,0]=4 4225 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,0,1,1,0,0|2,0,0]=4 4226 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,0,1,1,0,0|2,0,0]=4 4227 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [0,0,1,1,0,0|2,0,0]=4 4228 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,0,1,1,0,0|2,0,0]=4 4229 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,0,1,1,0,0|2,0,0]=4 4230 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100000742291_100011216584 [0,0,1,1,0,0|2,0,0]=4 4231 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100011264011_100011215356 [0,0,1,1,0,0|2,0,0]=4 4232 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,0,1,1,0,0|2,0,0]=4 4233 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,0,1,1,0,0|2,0,0]=4 4234 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000742291_100000752921 [0,0,1,1,0,0|2,0,0]=4 4235 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000757648_100011215356 [0,0,1,1,0,0|2,0,0]=4 4236 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000750936_100000035832 [0,0,1,1,0,0|2,0,0]=4 4237 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000752145_100009814098 [0,0,1,1,0,0|2,0,0]=4 4238 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000742291_100000035832 [0,0,1,1,0,0|2,0,0]=4 4239 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000752145_100011215356 [0,0,1,1,0,0|2,0,0]=4 4240 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,0,1,1,0,0|1,0,0]=3 4241 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,0,1,1,0,0|1,0,0]=3 4242 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,0,1,1,0,0|1,0,0]=3 4243 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,0,1,1,0,0|2,0,0]=4 4244 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [0,0,1,1,0,0|2,0,0]=4 4245 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,0,1,1,0,0|2,0,0]=4 4246 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,0,1,1,0,0|2,0,0]=4 4247 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,0,1,1,0,0|0,0,2]=4 4248 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [0,0,1,0,1,0|2,0,0]=4 4249 B10R1.39 C=C(C)c1ccsc1C=O 271570a_100000694244_100000766043 [0,0,1,0,1,0|2,0,0]=4 4250 B10R1.39 C=C(C)c1cscc1C=O 271570a_100000694244_100000685484 [0,0,1,0,1,0|2,0,0]=4 4251 B10R1.39 C=C(C)c1sccc1C=O 271570a_100000694244_100009816921 [0,0,1,0,1,0|2,0,0]=4 4252 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,1,0,1,0|2,0,0]=4