0 B12R1.286 CCOC1=CC(OC)=C(Br)C=C1 V9661 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.286 COC1=CC(CC#N)=CC=C1Cl 6563AA [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 COC1=CC(CCO)=CC=C1O W4745 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.189 C=CCC1=CC(C#N)=CC=C1 6708AE [1,0,0,0,0,0|2,0,0]=3 4 B11R1.189 COC1=CC=CC(CNN)=C1 3225AC [1,0,0,0,0,0|2,0,0]=3 5 B11R1.192 C=CCC1=CC(Cl)=C(Cl)C=C1 7092AD [1,0,0,0,0,0|2,0,0]=3 6 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 W2121 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.192 CC1=CC(CC#N)=CC=C1Br V4369 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 O=CCC1=CC=C(Cl)C(Cl)=C1 W9614 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.280 CCC1=CC(C=O)=C(O)C=C1 7392AB [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 COC1=CC(CO)=CC=C1Br Z0261 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.280 COC1=CC(OC)=C(S)C=C1 6358AD [1,0,0,0,0,0|1,1,1]=4 12 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O 8316AE [0,1,0,0,0,0|1,0,2]=4 13 B13R1.386 C=CCC1=NC(OC)=C(OC)C=C1 8545AC [0,1,0,0,0,0|1,0,0]=2 14 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 7168AE [0,1,0,0,0,0|1,0,1]=3 15 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 5903AL [0,1,0,0,0,0|2,0,1]=4 16 B13R1.386 COC1=CC=C(CCN)N=C1OC 4846AA [0,1,0,0,0,0|2,0,1]=4 17 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 6307AB [0,1,0,0,0,0|0,0,2]=3 18 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 Y4228 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.449 NNCC1=CC2=C(C=C1)OCO2 4672AE [0,0,0,1,0,0|2,0,0]=3 20 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 6478AE [0,0,0,1,0,0|1,0,1]=3 21 B13R2.599 COC1=C(Br)C=C2C=CNC2=N1 X9358 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.599 COC1=C(Br)C=C2N=CNC2=C1 Z3795 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 1512AA [0,0,0,1,0,0|2,0,0]=3 24 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 3750AA [0,0,0,1,0,0|2,0,0]=3 25 B13R2.599 COC1=CC2=C(C=C1C)NC=C2 3381AB [0,0,0,1,0,0|2,0,1]=4 26 B13R2.599 COC1=CC2=C(C=NN2)C=C1N Z5098 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [2,0,0,0,0,0|0,0,0]=2 28 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [2,0,0,0,0,0|1,0,1]=4 29 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [2,0,0,0,0,0|0,0,2]=4 30 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [2,0,0,0,0,0|1,0,1]=4 31 B10R1.10 NCCC1=CC=CC(O)=C1 E330 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 C=CC1=CC=CC(C=O)=C1 0260AB [2,0,0,0,0,0|2,0,0]=4 34 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [2,0,0,0,0,0|1,0,0]=3 35 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [2,0,0,0,0,0|1,0,1]=4 36 B10R1.172 CNC1=CC=CC(OC)=C1 V4822 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.172 COC1=CC(CCl)=NC=C1 6991AC [2,0,0,0,0,0|2,0,0]=4 38 B10R1.172 COC1=CC(CN)=CC=N1 7458AA [2,0,0,0,0,0|2,0,0]=4 39 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [2,0,0,0,0,0|2,0,0]=4 40 B10R1.172 CSC1=CC=CC(C=O)=C1 5233AH [2,0,0,0,0,0|1,1,0]=4 41 B10R1.1 C=CCC1=CC=C(C)C=C1 1127AQ [2,0,0,0,0,0|1,0,0]=3 42 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [2,0,0,0,0,0|1,0,0]=3 43 B10R1.1 C=COC1=CC=C(Br)C=C1 Y3507 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [2,0,0,0,0,0|1,0,0]=3 45 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [2,0,0,0,0,0|2,0,0]=4 48 B10R1.176 CC1=CC=C(C=O)C=C1O Z0696 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [2,0,0,0,0,0|1,0,1]=4 50 B10R1.176 O=CC1=CC=C(O)C(I)=C1 X5653 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.176 OCC1=CC(O)=C(I)C=C1 2103AC [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(=O)C=CC1=O 2859AB [2,0,0,0,0,0|1,0,1]=4 53 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=CC(C)=NC=C1Br 4514AC [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 COC1=CC(F)=CC=C1C Z1199 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 COC1=CC(F)=CC=C1F F188 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.30 COC1=CC(F)=CC=C1I Z0604 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 COC1=CC(I)=CC=C1N V5279 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.30 COC1=CC(N)=CC=C1F V4508 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [2,0,0,0,0,0|1,1,0]=4 61 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 2597AB [1,1,0,0,0,0|1,0,1]=4 62 B12R1.278 CCOC1=CC=CC(CC#N)=C1 9065AE [1,1,0,0,0,0|1,0,1]=4 63 B12R1.278 CCOC1=CC=CC(CNC)=C1 2269AF [1,1,0,0,0,0|1,0,1]=4 64 B12R1.279 C=CCC1=CC(N(C)C)=CC=C1 4883AE [1,1,0,0,0,0|1,0,0]=3 65 B12R1.382 CNCCC1=CC=CC(OC)=C1 3929AB [1,1,0,0,0,0|0,0,2]=4 66 B12R1.382 COC1=CC(OCCN)=CC=C1 8745AD [1,1,0,0,0,0|1,0,1]=4 67 B12R1.382 COC1=CC=CC(CCCN)=C1 6272AD [1,1,0,0,0,0|0,0,2]=4 68 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 X9328 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.435 COC1=CC(C(O)CN)=CC=C1 9377AJ [1,1,0,0,0,0|1,0,1]=4 70 B12R1.435 COC1=CC=CC(C(N)CO)=C1 1466AJ [1,1,0,0,0,0|1,0,1]=4 71 B12R1.435 COC1=CC=CC(C(O)CN)=C1 2592AB [1,1,0,0,0,0|1,0,1]=4 72 B12R1.438 COC1=CC(CC(=O)O)=CC=N1 6367AB [1,1,0,0,0,0|2,0,0]=4 73 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 1110AJ [1,1,0,0,0,0|1,0,0]=3 74 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O 2074AE [1,1,0,0,0,0|2,0,0]=4 75 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 9726AB [1,1,0,0,0,0|1,0,1]=4 76 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 6054AJ [1,1,0,0,0,0|0,0,2]=4 77 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 9379AB [1,1,0,0,0,0|0,0,2]=4 78 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 3031AL [1,1,0,0,0,0|1,0,1]=4 79 B12R1.56 COC1=CC(=C(N)N)C=CC1=O 8532AC [1,1,0,0,0,0|1,0,1]=4 80 B12R1.56 COC1=CC(C(N)=O)=CC=C1Br V3839 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9126 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9637 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 Z4915 [1,1,0,0,0,0|0,0,1]=3 84 B12R1.78 COC1=C(OC)N=C(CO)C=C1 6314AE [1,1,0,0,0,0|2,0,0]=4 85 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9116AC [1,1,0,0,0,0|2,0,0]=4 86 B12R1.78 COC1=C(SC)C=CC(C=O)=C1 2317AJ [1,1,0,0,0,0|1,1,0]=4 87 B12R1.78 COC1=CC(C=O)=CC=C1C#N Z0386 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.78 COC1=CC(C=O)=CN=C1OC Y6600 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 6112AJ [1,1,0,0,0,0|2,0,0]=4 90 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 6127AD [1,1,0,0,0,0|1,0,0]=3 91 B14R1.626 COC1=CC([C@H](N)CCO)=CC=C1O 1209AL [0,2,0,0,0,0|0,0,2]=4 92 B14R1.1864 CCC(O)C1=CC=C(OC)C(OC)=C1 X6698 [0,2,0,0,0,0|0,0,2]=4 93 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 4963AH [0,2,0,0,0,0|1,0,1]=4 94 B14R1.1864 COC1=CC=C(C(=O)C=O)C=C1OC W3562 [0,2,0,0,0,0|1,0,1]=4 95 B14R1.343 COC1=C(O)C(Br)=CC(CC(=O)O)=C1 7002AD [0,2,0,0,0,0|1,0,0]=3 96 B14R1.3405 COC(=O)CC1=CC=C(O)C(OC)=C1 X5169 [0,2,0,0,0,0|0,0,1]=3 97 B14R1.3651 C=C(C)CC1=CC=C(OC)C(OC)=C1 4887AD [0,2,0,0,0,0|0,0,0]=2 98 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 9290AE [0,2,0,0,0,0|1,0,0]=3 99 B14R1.3651 COC1=CC=C(C[C@H](C)O)C=C1OC W3494 [0,2,0,0,0,0|0,0,2]=4 100 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 4539AD [0,2,0,0,0,0|0,0,2]=4 101 B14R1.793 COC1=CC=C(CN=C=S)C=C1OC 4435AD [0,2,0,0,0,0|1,0,1]=4 102 B14R1.14946 C=CCC1=C(O)C=C(OC)C(OC)=C1 8925AB [0,2,0,0,0,0|0,0,0]=2 103 B14R1.14946 COC1=C(OC)C=C(CCN)C(Br)=C1 7131AE [0,2,0,0,0,0|1,0,1]=4 104 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 Y2708 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1F X2821 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.42 COC1=CC(\C=C\C(N)=O)=CC=C1O W2104 [0,2,0,0,0,0|0,0,1]=3 107 B12R2.44 COC1=CC2=C(C=C1)C=NO2 5243AB [1,0,0,1,0,0|2,0,0]=4 108 B12R2.44 COC1=CC2=C(C=C1)CNC2 1266AA [1,0,0,1,0,0|1,0,1]=4 109 B12R2.44 COC1=CC2=C(C=C1)OC=N2 5948AA [1,0,0,1,0,0|2,0,0]=4 110 B12R2.44 COC1=CC2=C(C=C1)SC=C2 Y1904 [1,0,0,1,0,0|1,0,1]=4 111 B12R2.44 COC1=CC2=C(C=CN2)C=N1 W8553 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.44 COC1=CC=C2CC=CC2=C1 4206AB [1,0,0,1,0,0|0,0,2]=4 113 B12R2.44 COC1=CN=C2C=CNC2=C1 X9352 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.315 COC1=C2OC=CC2=CC=C1 W8060 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.315 COC1=C2SC=NC2=CC=C1 3720AJ [1,0,0,1,0,0|2,0,0]=4 116 B12R2.315 COC1=CC=CC2=C1C=NN2 W5677 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.315 COC1=CC=CC2=C1NCC2 3908AB [1,0,0,1,0,0|1,0,1]=4 118 B12R2.315 COC1=NC=CC2=C1C=CN2 W9688 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.100 CC1=CC2=C(C=CN2)C=C1Cl 8210AA [1,0,0,1,0,0|2,0,0]=4 120 B12R2.100 CC1=CC2=C(C=CO2)C=C1Br 1113AB [1,0,0,1,0,0|2,0,0]=4 121 B14R2.966 NCC(O)C1=CC2=C(C=C1)OCO2 1460AJ [0,1,0,1,0,0|1,0,1]=4 122 B14R2.112 NCCC1=CC2=C(C=C1)OCCO2 8228AC [0,1,0,1,0,0|1,0,1]=4 123 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 8025AC [0,1,0,1,0,0|0,0,2]=4 124 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 8354AE [0,1,0,1,0,0|0,0,2]=4 125 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 2146AC [0,1,0,1,0,0|2,0,0]=4 126 B14R2.82 COC1=CC2=C(C=C1OC)NCC2 W3460 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.1238 COC1=CC=C2C=CNC2=C1OC 3380AJ [0,1,0,1,0,0|1,0,1]=4 128 B14R2.991 CCNCC1=CC=C2OCOC2=C1 2548AA [0,1,0,1,0,0|0,0,2]=4 129 B14R2.1128 COC1=C(C)C=C2C=CC=CC2=C1 V6919 [0,1,0,1,0,0|1,0,1]=4 130 B14R2.1128 COC1=CC2=C(C=C1O)CCNC2 Y6784 [0,1,0,1,0,0|0,0,2]=4 131 B14R3.3022 C1=CC2=CC3=C(C=C2N1)OCO3 2864AL [0,0,0,2,0,0|1,0,0]=3