0 B11R2.15 O=CC1=CC2=C(N1)C=CS2 Z3243061496 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.15 O=CC1=CC2=C(S1)C=CO2 Z2732463073 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.15 O=CC1=CC2=C(S1)C=CS2 Z1255361000 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.15 O=CC1=CC2=CSC=C2S1 Z1511913464 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.15 O=CC1=CN2C=CN=C2S1 Z1255451728 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.15 O=CC1=CN2CCN=C2S1 Z4526309041 [0,0,0,0,0,0|3,0,1]=4 6 B10R2.2 CC1=CN2N=CSC2=N1 Z87001376 [1,0,0,0,0,0|1,0,2]=4 7 B12R2.30 CN1C(=CC2=C1SC=C2)C=O Z1416183263 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.252 CC(=O)C1=CC2=C(S1)C=CS2 Z1416174195 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.252 NC(=O)C1=CC2=C(N1)C=CS2 Z1255450918 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.252 NC(=O)C1=CC2=C(N1)N=CS2 Z2313100386 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 Z1198172211 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 Z1162419603 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 Z1198322180 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 Z235000792 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.252 O=C(O)C1=CC2=C(S1)C=CN2 Z235352827 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 Z1227757230 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 Z666140572 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 Z3888386168 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.364 CC1=CC2=C(S1)C=C(N2)C=O Z2732489903 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.364 O=CC1=CC2=C(N1)C=C(S2)Cl Z3446635381 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.2040 O=CC1=CC2=C(N1)C(=CS2)Br Z3175386079 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.2040 O=CC1=CN2C(=CN=C2S1)Br Z2799575972 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.27 C/C(=C\C1=CC=CO1)/C=O Z3061414163 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.29 CN1C=CC=C1/C=C/C=O Z1255493927 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.96 C=CCN1C=C(C=N1)C=O Z1201626731 [0,0,1,0,0,0|3,0,0]=4 26 B12R2.32 NCC1=CC2=C(N1)C=CN=C2 Z2830496387 [0,0,0,0,0,1|2,0,1]=4 27 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [0,0,0,0,0,1|2,0,0]=3 28 B12R2.32 O=CC1=CC2=C(N1)C=CC=N2 Z1198177421 [0,0,0,0,0,1|1,0,0]=2 29 B12R2.32 O=CC1=CC2=C(N1)C=CN=C2 Z3305262316 [0,0,0,0,0,1|1,0,0]=2 30 B12R2.32 O=CC1=CC2=C(N1)N=CC=C2 Z1198177420 [0,0,0,0,0,1|2,0,0]=3 31 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [0,0,0,0,0,1|3,0,0]=4 32 B12R2.32 O=CC1=CC2=C(O1)C=CC=N2 Z1198330026 [0,0,0,0,0,1|2,0,0]=3 33 B12R2.32 O=CC1=CC2=C(O1)C=CN=C2 Z1255417643 [0,0,0,0,0,1|2,0,0]=3 34 B12R2.32 O=CC1=CC2=C(O1)N=CC=C2 Z1255505540 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.32 O=CC1=CC2=C(S1)C=CC=C2 Z1741961424 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.32 O=CC1=CC2=C(S1)C=CC=N2 Z1216823029 [0,0,0,0,0,1|2,0,0]=3 37 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 Z1198309374 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.32 O=CC1=CC2=C(S1)N=CC=C2 Z1160905957 [0,0,0,0,0,1|3,0,0]=4 39 B12R2.32 O=CC1=CN2C=CC=CC2=N1 Z622445034 [0,0,0,0,0,1|1,0,1]=3 40 B12R2.32 O=CC1=CN2C=CC=NC2=N1 Z1190323952 [0,0,0,0,0,1|1,0,1]=3 41 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [0,0,0,0,0,1|3,0,0]=4 42 B12R2.32 O=CC1=NC2=C(S1)C=CN=C2 Z1352941603 [0,0,0,0,0,1|3,0,0]=4 43 B12R2.32 O=CC1=NC2=C(S1)N=CC=C2 Z1352941599 [0,0,0,0,0,1|2,0,1]=4 44 B12R2.32 O=CC1=NN2C=CC=CC2=C1 Z1171753365 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.32 OCC1=CC2=C(N1)C=CC=N2 Z1255398720 [0,0,0,0,0,1|1,0,2]=4 46 B12R2.44 N#CC1=CN2N=CC=C2N=C1 Z4354068767 [0,0,0,0,0,1|1,0,2]=4 47 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 Z1255419863 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 Z254198328 [0,0,0,0,0,1|2,0,1]=4 49 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 Z1021421726 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 Z1201622196 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 Z1201623148 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 Z1255396184 [0,0,0,0,0,1|3,0,0]=4 53 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 Z1203162328 [0,0,0,0,0,1|2,0,1]=4 54 B12R2.44 O=CC1=CC2=C(C=CS2)N=C1 Z1202209325 [0,0,0,0,0,1|2,0,1]=4 55 B12R2.44 O=CC1=CC2=C(N=C1)NC=C2 Z2289798542 [0,0,0,0,0,1|2,0,1]=4 56 B12R2.44 O=CC1=CC2=CC=NN2C=C1 Z1255420637 [0,0,0,0,0,1|1,0,0]=2 57 B12R2.44 O=CC1=CC2=CON=C2C=C1 Z1416197933 [0,0,0,0,0,1|3,0,0]=4 58 B12R2.44 O=CC1=CC2=NC=CN2C=C1 Z1255451026 [0,0,0,0,0,1|3,0,0]=4 59 B12R2.44 O=CC1=CC2=NC=NN2C=C1 Z1198729223 [0,0,0,0,0,1|2,0,0]=3 60 B12R2.44 O=CC1=CC2=NOC=C2C=C1 Z3038686912 [0,0,0,0,0,1|3,0,0]=4 61 B12R2.44 O=CC1=CN2N=CC=C2N=C1 Z982129328 [0,0,0,0,0,1|0,0,1]=2 62 B12R2.44 O=CC1=NC2=C(C=C1)OC=C2 Z1416197932 [0,0,0,0,0,1|2,0,1]=4 63 B12R2.44 OCC1=CC2=CC=NN2C=C1 Z1255416906 [0,0,0,0,0,1|1,0,2]=4 64 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [1,0,1,0,0,0|2,0,0]=4 65 B9R1.13 NC(=O)CN1C=CC=N1 Z234897385 [1,0,1,0,0,0|0,0,1]=3 66 B9R1.13 O=C(O)CN1C=CC=N1 Z166653130 [1,0,1,0,0,0|1,0,1]=4 67 B9R1.21 C=CN1C=C(C=N1)C=O Z1201626383 [1,0,1,0,0,0|2,0,0]=4 68 B9R2.3 C1=NN2CCNC2=C1 Z1203731545 [2,0,0,0,0,0|0,0,2]=4 69 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,1,1,0,0,0|0,0,2]=4 70 B11R1.228 C=CC(=O)NC1=CC=NN1C Z875036586 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.90 CN1N=CC=C1/C=C/C(=O)O Z2942852065 [0,1,1,0,0,0|1,0,1]=4 72 B11R2.139 CC1=NN2CC(=O)NC2=C1 Z3252518361 [1,1,0,0,0,0|0,0,1]=3 73 B13R2.43 CC1=CC2=C(C=C1)C=C(N2)C=O Z1255489598 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.43 CC1=CN2C=C(N=C2C=C1)C=O Z1198166122 [0,1,0,0,0,1|1,0,1]=4 75 B13R2.43 O=CC1=CC2=C(N1)C=C(C=C2)Br Z228589116 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.43 O=CC1=CC2=C(N1)C=C(C=C2)F Z1198305780 [0,1,0,0,0,1|2,0,0]=4 77 B13R2.43 O=CC1=CC2=C(N1)C=CC(=C2)Br Z1203159747 [0,1,0,0,0,1|2,0,0]=4 78 B13R2.43 O=CC1=CC2=C(N1)C=CC(=C2)Cl Z1198170786 [0,1,0,0,0,1|2,0,0]=4 79 B13R2.43 O=CC1=CC2=C(O1)C=C(C=N2)Br Z1269129339 [0,1,0,0,0,1|2,0,0]=4 80 B13R2.43 O=CC1=CC2=C(O1)C=CC(=N2)Cl Z4350767450 [0,1,0,0,0,1|2,0,0]=4 81 B13R2.43 O=CC1=CC2=C(O1)C=CC(=N2)F Z4896534451 [0,1,0,0,0,1|2,0,0]=4 82 B13R2.43 O=CC1=CC2=C(S1)C=CC(=N2)Cl Z2405055229 [0,1,0,0,0,1|2,0,0]=4 83 B13R2.43 O=CC1=CN2C=C(C=CC2=N1)Br Z1269172064 [0,1,0,0,0,1|1,0,1]=4 84 B13R2.43 O=CC1=CN2C=C(C=CC2=N1)Cl Z815303068 [0,1,0,0,0,1|1,0,1]=4 85 B13R2.43 O=CC1=CN2C=C(C=CC2=N1)F Z1198268535 [0,1,0,0,0,1|1,0,1]=4 86 B13R2.43 O=CC1=CN2C=CC(=CC2=N1)Br Z1269173239 [0,1,0,0,0,1|1,0,1]=4 87 B13R2.45 CN1C(=CC2=C1C=CC=C2)C=O Z1255403292 [0,1,0,0,0,1|2,0,0]=4 88 B13R2.45 O=CC1=C(C2=C(N1)C=CC=C2)Br Z1269191622 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.45 O=CC1=C(N2C=CC=CC2=N1)Br Z1182471309 [0,1,0,0,0,1|1,0,1]=4 90 B13R2.54 CC1=C2C=C(NC2=CC=C1)C=O Z1255420944 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.54 O=CC1=CC2=C(C=CC=C2N1)Br Z1416165022 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.54 O=CC1=CC2=C(C=CC=C2N1)F Z1198305779 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.54 O=CC1=CC2=C(N=CC=C2O1)Cl Z1486026576 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.54 O=CC1=CC2=C(N=CC=C2S1)Cl Z1255357537 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.54 O=CC1=CC2=NC=CC(=C2S1)Cl Z1255493892 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.54 O=CC1=CN2C(=CC=CC2=N1)F Z1201625723 [0,1,0,0,0,1|1,0,1]=4 97 B13R2.54 O=CC1=CN2C=CC=C(C2=N1)F Z1198268536 [0,1,0,0,0,1|1,0,1]=4 98 B13R2.435 CC(=O)C1=CC2=C(N1)C=CC=C2 Z1198159037 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.435 CC(=O)C1=CC2=C(O1)C=CN=C2 Z1416167642 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.435 CC(=O)C1=CN2C=CC=CC2=N1 Z1255374098 [0,1,0,0,0,1|1,0,1]=4 101 B13R2.435 CC(=O)C1=CN2C=CC=NC2=N1 Z1405183096 [0,1,0,0,0,1|1,0,1]=4 102 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 Z101185700 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.435 NC(=O)C1=CN2C=CC=CC2=N1 Z145118994 [0,1,0,0,0,1|1,0,1]=4 104 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 Z1198266663 [0,1,0,0,0,1|1,0,0]=3 106 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 Z1198323516 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 Z2670715454 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 Z1255443420 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 Z367448406 [0,1,0,0,0,1|1,0,1]=4 110 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 Z1262529348 [0,1,0,0,0,1|1,0,0]=3 111 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 Z4562240338 [0,1,0,0,0,1|0,0,1]=3 112 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 Z1255445693 [0,1,0,0,0,1|2,0,0]=4 113 B13R2.435 O=C([O-])C1=CN2C=CN=CC2=C1 Z4895379609 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.84 O=CC1=C(N2N=CN=C2N=C1)[O-] Z3995420850 [0,1,0,0,0,1|1,0,1]=4 115 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 Z1198235526 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.430 O=C(O)C1=CC2=CC=CN2N=C1 Z4464240529 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 Z1255424907 [0,1,0,0,0,1|1,0,0]=3 118 B13R2.430 O=C(O)C1=CC2=CC=NN2C=N1 Z2911787450 [0,1,0,0,0,1|1,0,0]=3 119 B13R2.430 O=C(O)C1=CC2=NC=NN2C=C1 Z1255358974 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.430 O=C(O)C1=CN2N=CC=C2C=C1 Z1255436171 [0,1,0,0,0,1|1,0,0]=3 121 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 Z1255400371 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.430 O=C(O)C1=CNC2=NC=CC2=C1 Z2238508556 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.430 O=C(O)C1=CNC2=NC=NC2=C1 Z1539988083 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.430 O=C(O)C1=NC2=CC=NN2C=C1 Z1198219558 [0,1,0,0,0,1|0,0,1]=3 125 B13R2.430 O=C(O)C1CNC2=CC=NN2C1 Z3304839439 [0,1,0,0,0,1|0,0,2]=4 126 B13R2.2121 CC1=NN2C=C(C=NC2=C1)C=O Z839133402 [0,1,0,0,0,1|0,0,1]=3 127 B13R2.2334 CN1C(=CC2=C1C=CO2)C(=O)O Z1201624163 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.2334 CN1C(=CC2=C1C=CS2)C(=O)O Z1201622984 [0,2,0,0,0,0|2,0,0]=4 129 B13R2.531 COC(=O)C1=CC2=C(N1)C=CO2 Z1201623837 [0,2,0,0,0,0|2,0,0]=4 130 B13R2.400 CC1=CC2=C(O1)C=C(N2)C(=O)O Z1198173265 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.400 CC1=CC2=C(S1)C=C(N2)C(=O)O Z1198177106 [0,2,0,0,0,0|2,0,0]=4 132 B13R2.400 CC1=NN2C=C(N=C2S1)C(=O)O Z1198219559 [0,2,0,0,0,0|1,0,1]=4 133 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Br Z1269226703 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Cl Z1269127511 [0,2,0,0,0,0|2,0,0]=4 135 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)F Z1258976837 [0,2,0,0,0,0|2,0,0]=4 136 B13R2.3678 CC1=CSC2=C1NC(=C2)C(=O)O Z1258976897 [0,2,0,0,0,0|2,0,0]=4 137 B13R2.3678 CN1C=CC2=C1C=C(N2)C(=O)O Z1255401555 [0,2,0,0,0,0|1,0,1]=4 138 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CO2)Br Z1269239471 [0,2,0,0,0,0|2,0,0]=4 139 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Br Z1269132447 [0,2,0,0,0,0|2,0,0]=4 140 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Cl Z1416179551 [0,2,0,0,0,0|2,0,0]=4 141 B11R2.36 BrC1=CN2N=CC=C2N=C1 Z489928452 [0,0,1,1,0,0|2,0,0]=4 142 B11R2.36 FC1=CN2N=CC=C2N=C1 Z1486028289 [0,0,1,1,0,0|2,0,0]=4 143 B11R2.36 NC1=CN2N=CC=C2C=C1 Z4762145525 [0,0,1,1,0,0|1,0,0]=3 144 B11R2.36 NC1=CN2N=CC=C2N=C1 Z1198221258 [0,0,1,1,0,0|1,0,0]=3 145 B11R2.36 O=C1C=CN2N=CC=C2N1 Z1966571755 [0,0,1,1,0,0|2,0,0]=4 146 B11R2.10 CC1=CC2=C(N1)C=CC=N2 Z1255424933 [1,0,0,0,0,1|1,0,1]=4 147 B11R2.10 CC1=CC2=C(N1)C=CN=C2 Z1255388194 [1,0,0,0,0,1|1,0,1]=4 148 B11R2.10 CC1=CC2=C(N1)C=NC=N2 Z1255417566 [1,0,0,0,0,1|1,0,1]=4 149 B11R2.10 NC1=CN2N=CC=CC2=N1 Z5183354462 [1,0,0,0,0,1|1,0,1]=4 150 B11R2.10 O=C1CC2=C(N1)C=CC=N2 Z1198159859 [1,0,0,0,0,1|1,0,1]=4 151 B13R2.57 O=CC1=CC2=C(C=C1)C=NC=C2 Z1198168240 [0,0,0,0,0,2|2,0,0]=4 152 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 Z104479306 [0,0,0,0,0,2|2,0,0]=4 153 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=N2 Z208191808 [0,0,0,0,0,2|2,0,0]=4 154 B13R2.57 O=CC1=CC2=C(C=CC=N2)C=C1 Z1065726060 [0,0,0,0,0,2|2,0,0]=4 155 B13R2.57 O=CC1=CC2=C(C=CN=C2)C=C1 Z1198168241 [0,0,0,0,0,2|2,0,0]=4 156 B13R2.57 O=CC1=NC2=C(C=C1)N=CC=C2 Z1255491417 [0,0,0,0,0,2|1,0,1]=4