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=C(O)C=CC(CC#N)=C1 3819AE [0,0,0,0,0,0|1,0,1]=2 2 B11R1.189 C=CCC1=CC(C#N)=CC=C1 6708AE [1,0,0,0,0,0|2,0,0]=3 3 B11R1.189 COC1=CC=CC(CNN)=C1 3225AC [1,0,0,0,0,0|2,0,0]=3 4 B11R1.189 COC1=CC=CC(CON)=C1 4968AB [1,0,0,0,0,0|2,0,0]=3 5 B11R1.189 COC1=NC=CC(CC#N)=C1 1904AC [1,0,0,0,0,0|2,0,1]=4 6 B11R1.192 C=CCC1=CC(Cl)=C(Cl)C=C1 7092AD [1,0,0,0,0,0|2,0,0]=3 7 B11R1.192 CC1=CC(CC#N)=CC=C1Br V4369 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [1,0,0,0,0,0|1,0,1]=3 9 B11R1.192 NOCC1=CC(O)=C(Br)C=C1 SYN5502 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.192 O=CCC1=CC=C(Cl)C(Cl)=C1 W9614 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.280 COC1=CC(C#N)=CC=C1Cl 6137AJ [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 COC1=CC(C=O)=CC=C1I 6187AJ [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 COC1=CC(CN)=CC=C1C 1106AL [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=CC(CN)=CC=C1F 2724AL [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COC1=CC(CN)=CC=C1F V6285 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=CC(OC)=C(S)C=C1 6358AD [1,0,0,0,0,0|1,1,1]=4 17 B11R1.280 O=CC1=CC(C=O)=C(O)C=C1 X8016 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.280 O=CC1=CC(CO)=CC=C1O 9159AE [1,0,0,0,0,0|3,0,0]=4 19 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 Q284 [0,1,0,0,0,0|0,0,3]=4 20 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O 8316AE [0,1,0,0,0,0|1,0,2]=4 21 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 7168AE [0,1,0,0,0,0|1,0,1]=3 22 B13R1.386 COC1=CC=C(CCN)N=C1OC 4846AA [0,1,0,0,0,0|2,0,1]=4 23 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 6307AB [0,1,0,0,0,0|0,0,2]=3 24 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 Y4228 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.449 CNCC1=CC=C2OCOC2=C1 Y7605 [0,0,0,1,0,0|1,0,1]=3 26 B13R2.449 ClCCC1=CC=C2OCCC2=C1 X5646 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.449 N#CCC1=CC=C2OCCC2=C1 0124AB [0,0,0,1,0,0|2,0,1]=4 28 B13R2.449 NNCC1=CC2=C(C=C1)OCO2 4672AE [0,0,0,1,0,0|2,0,0]=3 29 B13R2.449 OCCC1=CC=C2OCCC2=C1 Z5567 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 1392AA [0,0,0,1,0,0|2,0,1]=4 31 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 1512AA [0,0,0,1,0,0|2,0,0]=3 32 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 3750AA [0,0,0,1,0,0|2,0,0]=3 33 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 5107AC [0,0,0,1,0,0|2,0,0]=3 34 B13R2.599 COC1=CC2=C(C=NN2)C=C1N Z5098 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [2,0,0,0,0,0|1,0,0]=3 36 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [2,0,0,0,0,0|1,0,1]=4 37 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [2,0,0,0,0,0|0,0,2]=4 38 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [2,0,0,0,0,0|1,0,1]=4 39 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [2,0,0,0,0,0|1,0,1]=4 40 B10R1.172 CCC1=CC(CO)=CC=C1 Z0865 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [2,0,0,0,0,0|1,0,1]=4 42 B10R1.172 COC1=CN=CC(CO)=C1 Z1132 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.172 COC1=NC(CCl)=CC=C1 5471AB [2,0,0,0,0,0|2,0,0]=4 44 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [2,0,0,0,0,0|2,0,0]=4 45 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [2,0,0,0,0,0|2,0,0]=4 46 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [2,0,0,0,0,0|1,0,0]=3 47 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [2,0,0,0,0,0|1,0,0]=3 48 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [2,0,0,0,0,0|1,0,0]=3 49 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [2,0,0,0,0,0|1,0,1]=4 50 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [2,0,0,0,0,0|1,0,0]=3 51 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [2,0,0,0,0,0|2,0,0]=4 52 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.176 CC1=CC(CO)=CC=C1Cl Z0082 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [2,0,0,0,0,0|2,0,0]=4 55 B10R1.176 CC1=CC=C(CBr)C=C1C W9680 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [2,0,0,0,0,0|1,0,1]=4 57 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [2,0,0,0,0,0|1,0,1]=4 58 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [2,0,0,0,0,0|1,0,0]=3 59 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 Y3989 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.30 COC1=CC(C)=CN=C1Cl Z8217 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.30 COC1=CC(Cl)=CC=C1Cl X8187 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.30 COC1=CC(F)=CC=C1F F188 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.30 COC1=CC(I)=CC=C1N V5279 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.30 COC1=CC(N)=CC=C1I 2055AA [2,0,0,0,0,0|2,0,0]=4 66 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [2,0,0,0,0,0|1,1,0]=4 67 B12R1.278 CCOC1=CC=CC(CC#N)=C1 9065AE [1,1,0,0,0,0|1,0,1]=4 68 B12R1.278 CCOC1=CC=CC(CNC)=C1 2269AF [1,1,0,0,0,0|1,0,1]=4 69 B12R1.279 C=CCC1=CC(B(O)O)=CC=C1 Y2422 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.279 C=CCC1=CC(N(C)C)=CC=C1 4883AE [1,1,0,0,0,0|1,0,0]=3 71 B12R1.280 COC1=CC=CC(CC#N)=C1O 3244AE [1,1,0,0,0,0|1,0,1]=4 72 B12R1.382 CNCCC1=CC(OC)=CC=C1 9295AH [1,1,0,0,0,0|0,0,2]=4 73 B12R1.382 CNCCC1=CC=CC(OC)=C1 3929AB [1,1,0,0,0,0|0,0,2]=4 74 B12R1.382 COC1=CC=CC(CN=C=O)=C1 5850AE [1,1,0,0,0,0|1,0,1]=4 75 B12R1.435 CCC(O)C1=CC=CC(OC)=C1 7497AB [1,1,0,0,0,0|0,0,2]=4 76 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 X9328 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.435 COC1=CC(C(O)CN)=CC=C1 9377AJ [1,1,0,0,0,0|1,0,1]=4 78 B12R1.435 COC1=CC=CC(C(N)CO)=C1 1466AJ [1,1,0,0,0,0|1,0,1]=4 79 B12R1.435 COC1=CC=CC(C(N)CO)=C1 3640AB [1,1,0,0,0,0|1,0,1]=4 80 B12R1.435 COC1=CC=CC(C(O)CN)=C1 2592AB [1,1,0,0,0,0|1,0,1]=4 81 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 1110AJ [1,1,0,0,0,0|1,0,0]=3 82 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 7392AE [1,1,0,0,0,0|1,0,0]=3 83 B12R1.438 COC1=NC(CC(=O)O)=CC=C1 5243AJ [1,1,0,0,0,0|2,0,0]=4 84 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N 5220AJ [1,1,0,0,0,0|2,0,0]=4 85 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O 2074AE [1,1,0,0,0,0|2,0,0]=4 86 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 1712AC [1,1,0,0,0,0|1,0,1]=4 87 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 9726AB [1,1,0,0,0,0|1,0,1]=4 88 B12R1.385 CCCCC1=CC=C(O)C(O)=C1 Q179 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 6054AJ [1,1,0,0,0,0|0,0,2]=4 90 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 9379AB [1,1,0,0,0,0|0,0,2]=4 91 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O 2719AB [1,1,0,0,0,0|1,0,1]=4 92 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 9083AD [1,1,0,0,0,0|2,0,0]=4 93 B12R1.56 COC1=CC(=C(N)N)C=CC1=O 8532AC [1,1,0,0,0,0|1,0,1]=4 94 B12R1.56 COC1=CC(B(O)O)=CC=C1O V3926 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.56 COC1=CC(C(N)=O)=CC=C1Br V3839 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9126 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9637 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 Z4915 [1,1,0,0,0,0|0,0,1]=3 99 B12R1.78 COC1=C(OC)C=C(NN)C=C1 5336AB [1,1,0,0,0,0|2,0,0]=4 100 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 Z6848 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.78 COC1=C(OC)N=C(CO)C=C1 6314AE [1,1,0,0,0,0|2,0,0]=4 102 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9116AC [1,1,0,0,0,0|2,0,0]=4 103 B12R1.78 COC1=C(SC)C=CC(C=O)=C1 2317AJ [1,1,0,0,0,0|1,1,0]=4 104 B12R1.78 COC1=CC(C=O)=CC=C1C#N Z0386 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.78 COC1=CC(C=O)=CN=C1OC Y6600 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.78 COC1=CN=C(CO)C=C1OC 8722AH [1,1,0,0,0,0|2,0,0]=4 107 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 6112AJ [1,1,0,0,0,0|2,0,0]=4 108 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 6127AD [1,1,0,0,0,0|1,0,0]=3 109 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4923AH [1,1,0,0,0,0|1,0,0]=3 110 B14R1.626 COC1=CC([C@H](N)CCO)=CC=C1O 1209AL [0,2,0,0,0,0|0,0,2]=4 111 B14R1.1864 CCC(O)C1=CC=C(OC)C(OC)=C1 X6698 [0,2,0,0,0,0|0,0,2]=4 112 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 4963AH [0,2,0,0,0,0|1,0,1]=4 113 B14R1.343 COC1=C(O)C(Br)=CC(CC(=O)O)=C1 7002AD [0,2,0,0,0,0|1,0,0]=3 114 B14R1.3651 C=C(C)CC1=CC=C(OC)C(OC)=C1 4887AD [0,2,0,0,0,0|0,0,0]=2 115 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 9290AE [0,2,0,0,0,0|1,0,0]=3 116 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 3095AH [0,2,0,0,0,0|1,0,0]=3 117 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 4539AD [0,2,0,0,0,0|0,0,2]=4 118 B14R1.793 COC1=CC=C(CN=C=S)C=C1OC 4435AD [0,2,0,0,0,0|1,0,1]=4 119 B14R1.14946 C=CCC1=C(O)C=C(OC)C(OC)=C1 8925AB [0,2,0,0,0,0|0,0,0]=2 120 B14R1.14946 COC1=C(OC)C=C(CCN)C(Br)=C1 7131AE [0,2,0,0,0,0|1,0,1]=4 121 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 Y2708 [0,2,0,0,0,0|1,0,1]=4 122 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1F X2821 [0,2,0,0,0,0|1,0,1]=4 123 B14R1.42 COC1=CC(\C=C\C(N)=O)=CC=C1O W2104 [0,2,0,0,0,0|0,0,1]=3 124 B12R2.44 COC1=CC2=C(C=C1)C=NO2 5243AB [1,0,0,1,0,0|2,0,0]=4 125 B12R2.44 COC1=CC2=C(C=C1)CNC2 1266AA [1,0,0,1,0,0|1,0,1]=4 126 B12R2.44 COC1=CC2=C(C=C1)CNC2 X9691 [1,0,0,1,0,0|1,0,1]=4 127 B12R2.44 COC1=CC2=C(C=C1)OC=C2 6140AA [1,0,0,1,0,0|1,0,1]=4 128 B12R2.44 COC1=CC2=C(C=C1)OC=N2 5948AA [1,0,0,1,0,0|2,0,0]=4 129 B12R2.44 COC1=CC2=C(C=C1)SC=C2 Y1904 [1,0,0,1,0,0|1,0,1]=4 130 B12R2.44 COC1=CC2=C(C=CC2)C=C1 4207AB [1,0,0,1,0,0|0,0,0]=2 131 B12R2.44 COC1=CC2=C(C=CS2)C=C1 5075AC [1,0,0,1,0,0|1,0,0]=3 132 B12R2.44 COC1=CC=C2C=NNC2=C1 L862 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.44 COC1=CC=C2CC=CC2=C1 4206AB [1,0,0,1,0,0|0,0,2]=4 134 B12R2.44 COC1=CN=C2C=CNC2=C1 X9352 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.315 COC1=C2SC=NC2=CC=C1 3720AJ [1,0,0,1,0,0|2,0,0]=4 136 B12R2.315 COC1=CC=CC2=C1CNC2 5316AA [1,0,0,1,0,0|1,0,1]=4 137 B12R2.315 COC1=CC=CC2=C1N=CS2 3196AB [1,0,0,1,0,0|2,0,0]=4 138 B12R2.315 COC1=CC=CC2=C1NCC2 3908AB [1,0,0,1,0,0|1,0,1]=4 139 B12R2.315 COC1=CN=CC2=C1C=CN2 V5472 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 W4170 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.82 OC1=C(F)C2=C(C=C1)NC=C2 W5150 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.100 CC1=CC2=C(C=CO2)C=C1Br 1113AB [1,0,0,1,0,0|2,0,0]=4 143 B12R2.100 CC1=CC2=C(C=NN2)C=C1O W6454 [1,0,0,1,0,0|2,0,0]=4 144 B14R2.966 NCC(O)C1=CC2=C(C=C1)OCO2 1460AJ [0,1,0,1,0,0|1,0,1]=4 145 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 3201AC [0,1,0,1,0,0|1,0,1]=4 146 B14R2.112 NCCC1=CC2=C(C=C1)OCCO2 8228AC [0,1,0,1,0,0|1,0,1]=4 147 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 8025AC [0,1,0,1,0,0|0,0,2]=4 148 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 8354AE [0,1,0,1,0,0|0,0,2]=4 149 B14R2.82 COC1=CC2=C(C=C1OC)NCC2 W3460 [0,1,0,1,0,0|1,0,1]=4 150 B14R2.1238 COC1=CC=C2C=CNC2=C1OC 3380AJ [0,1,0,1,0,0|1,0,1]=4 151 B14R2.991 CCNCC1=CC=C2OCOC2=C1 2548AA [0,1,0,1,0,0|0,0,2]=4 152 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 9813AC [0,1,0,1,0,0|1,0,1]=4 153 B14R2.1128 COC1=C(C)C=C2C=CC=CC2=C1 V6919 [0,1,0,1,0,0|1,0,1]=4