0 B12R1.286 CCOC1=CC(OC)=C(Br)C=C1 V9661 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 3819AE [0,0,0,0,0,0|1,0,2]=3 2 B11R1.189 COC1=CC=CC(CNN)=C1 3225AC [1,0,0,0,0,0|2,0,1]=4 3 B11R1.189 COC1=CC=CC(CON)=C1 4968AB [1,0,0,0,0,0|2,0,1]=4 4 B11R1.189 COC1=CN=CC(\C=N\O)=C1 8547AC [1,0,0,0,0,0|3,0,0]=4 5 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [1,0,0,0,0,0|1,0,1]=3 6 B11R1.280 COC1=CC(C#N)=CC=C1Cl 6137AJ [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 COC1=CC(C=O)=CC=C1I 6187AJ [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 COC1=CC(CN)=CC=C1C 1106AL [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=CC(CN)=CC=C1F 2724AL [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 COC1=CC(CN)=CC=C1F V6285 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.280 COC1=CC(OC)=C(S)C=C1 6358AD [1,0,0,0,0,0|1,1,0]=3 12 B11R1.280 COC1=CC(OC)=NC=C1N 2585AJ [1,0,0,0,0,0|3,0,0]=4 13 B11R1.280 COC1=CC=C(F)C(SC)=C1 Z0870 [1,0,0,0,0,0|2,1,0]=4 14 B11R1.280 COC1=NC(OC)=C(N)C=C1 9994AE [1,0,0,0,0,0|3,0,0]=4 15 B11R1.280 O=CC1=CC(C=O)=C(O)C=C1 X8016 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 Q284 [0,1,0,0,0,0|0,0,1]=2 17 B13R1.49 CNC(=O)C1=CC=C(Br)C(OC)=C1 Z6944 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.49 CNC1=CC(C(=O)OC)=CC=C1N V6914 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.49 COC(=O)C1=CC=C(Br)C(OC)=C1 W3727 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.49 COC(=O)C1=CC=C(O)C(C#N)=C1 Y7652 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O 8316AE [0,1,0,0,0,0|1,0,1]=3 22 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 7168AE [0,1,0,0,0,0|1,0,2]=4 23 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 6307AB [0,1,0,0,0,0|0,0,0]=1 24 B13R2.449 CNCC1=CC=C2OCOC2=C1 Y7605 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.449 NNCC1=CC2=C(C=C1)OCO2 4672AE [0,0,0,1,0,0|2,0,1]=4 26 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 1392AA [0,0,0,1,0,0|2,0,0]=3 27 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 3585AA [0,0,0,1,0,0|3,0,0]=4 28 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 1512AA [0,0,0,1,0,0|2,0,1]=4 29 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 3750AA [0,0,0,1,0,0|2,0,1]=4 30 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 5107AC [0,0,0,1,0,0|2,0,1]=4 31 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [2,0,0,0,0,0|0,0,2]=4 32 B10R1.10 CCNC1=CC=CC(O)=C1 W2908 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [2,0,0,0,0,0|1,0,1]=4 34 B10R1.10 O\N=C\C1=CC(O)=CC=C1 7611AD [2,0,0,0,0,0|2,0,0]=4 35 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [2,0,0,0,0,0|1,0,1]=4 36 B10R1.172 CNC1=CC(OC)=CN=C1 8852AH [2,0,0,0,0,0|2,0,0]=4 37 B10R1.172 CNC1=CC=CC(NC)=C1 4379AJ [2,0,0,0,0,0|2,0,0]=4 38 B10R1.172 COC1=NC=CC(SC)=C1 Z0163 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [2,0,0,0,0,0|1,0,1]=4 40 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [2,0,0,0,0,0|1,0,1]=4 41 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [2,0,0,0,0,0|2,0,0]=4 42 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [2,0,0,0,0,0|1,0,1]=4 43 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [2,0,0,0,0,0|1,0,1]=4 44 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [2,0,0,0,0,0|1,0,1]=4 45 B10R1.176 COC1=CC=C(I)C(O)=C1 5618AB [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 CSC1=CC=C(Br)C(C)=C1 Z1061 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [2,0,0,0,0,0|1,0,1]=4 48 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=CC(C)=CN=C1Cl Z8217 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 COC1=CC(Cl)=CC=C1Cl X8187 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.30 COC1=CC(F)=CC=C1F F188 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(I)=CC=C1N V5279 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=CC(N)=CC=C1I 2055AA [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [2,0,0,0,0,0|1,1,0]=4 55 B12R1.278 CCOC1=CC=CC(CNC)=C1 2269AF [1,1,0,0,0,0|1,0,1]=4 56 B12R1.382 CNCCC1=CC(OC)=CC=C1 9295AH [1,1,0,0,0,0|0,0,2]=4 57 B12R1.382 CNCCC1=CC=CC(OC)=C1 3929AB [1,1,0,0,0,0|0,0,2]=4 58 B12R1.435 CCC(O)C1=CC=CC(OC)=C1 7497AB [1,1,0,0,0,0|0,0,2]=4 59 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 X9328 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.435 COC1=CC=CC(C(=O)C#N)=C1 4276AH [1,1,0,0,0,0|1,0,1]=4 61 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 1110AJ [1,1,0,0,0,0|1,0,1]=4 62 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 7392AE [1,1,0,0,0,0|1,0,1]=4 63 B12R1.19 CC(=O)NC1=CC=C(Cl)C(O)=C1 V4906 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.385 CCCCC1=CC=C(O)C(O)=C1 Q179 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 6054AJ [1,1,0,0,0,0|0,0,2]=4 66 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 9379AB [1,1,0,0,0,0|0,0,2]=4 67 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 9083AD [1,1,0,0,0,0|2,0,0]=4 68 B12R1.56 COC1=CC(=C(N)N)C=CC1=O 8532AC [1,1,0,0,0,0|1,0,1]=4 69 B12R1.56 COC1=CC(B(O)O)=CC=C1O V3926 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.56 COC1=CC(C(N)=O)=CC=C1Br V3839 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9126 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9637 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3452AA [1,1,0,0,0,0|2,0,0]=4 74 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 Z4915 [1,1,0,0,0,0|0,0,1]=3 75 B12R1.78 COC1=C(OC)C=C(NN)C=C1 5336AB [1,1,0,0,0,0|2,0,0]=4 76 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 Z6848 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.78 COC1=C(SC)C=CC(C=O)=C1 2317AJ [1,1,0,0,0,0|1,1,0]=4 78 B12R1.78 COC1=CC(C=O)=CC=C1C#N Z0386 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.78 COC1=CC(C=O)=CN=C1OC Y6600 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 2753AC [1,1,0,0,0,0|2,0,0]=4 81 B12R1.300 COC1=CC(OC)=C(Br)C(C)=C1 0452AQ [1,1,0,0,0,0|2,0,0]=4 82 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 6112AJ [1,1,0,0,0,0|2,0,0]=4 83 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 6127AD [1,1,0,0,0,0|1,0,0]=3 84 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4923AH [1,1,0,0,0,0|1,0,0]=3 85 B12R1.449 COC1=CC(OC)=C(Br)C=C1N 8708AA [1,1,0,0,0,0|2,0,0]=4 86 B12R1.449 COC1=CC(OC)=C(N)C=C1F 6577AD [1,1,0,0,0,0|2,0,0]=4 87 B12R1.654 COC1=CC=C(Br)C(OC)=C1Cl Z8683 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.654 COC1=CC=C(Br)C(OC)=C1F Z0400 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.654 COC1=CC=C(N)C(OC)=C1F Z0328 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.41 COC1=CC(C(=O)N(C)C)=CC=C1Br Z6862 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.358 COC(=O)C1=CC(N)=C(Cl)C(OC)=C1 7171AE [0,2,0,0,0,0|2,0,0]=4 92 B14R1.358 COC(=O)C1=CC(OC)=C(N)C(Br)=C1 9372AE [0,2,0,0,0,0|2,0,0]=4 93 B14R1.358 COC(=O)C1=CC(OC)=C(O)C(N)=C1 3433AF [0,2,0,0,0,0|1,0,0]=3 94 B14R1.626 CCNC(=O)C1=CC=C(Br)C(OC)=C1 Z6951 [0,2,0,0,0,0|1,0,1]=4 95 B14R1.626 COC1=CC([C@H](N)CCO)=CC=C1O 1209AL [0,2,0,0,0,0|0,0,2]=4 96 B14R1.1864 CCC(O)C1=CC=C(OC)C(OC)=C1 X6698 [0,2,0,0,0,0|0,0,2]=4 97 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 3567AL [0,2,0,0,0,0|1,0,1]=4 98 B14R1.2283 COC(=O)C1=C(Br)C=C(F)C(OC)=C1 7247AC [0,2,0,0,0,0|2,0,0]=4 99 B14R1.2283 COC(=O)C1=C(N)C=C(F)C(OC)=C1 5078AD [0,2,0,0,0,0|2,0,0]=4 100 B14R1.2283 COC(=O)C1=CC(OC)=C(N)C=C1Cl 2621AJ [0,2,0,0,0,0|2,0,0]=4 101 B14R1.343 COC1=C(O)C(Br)=CC(CC(=O)O)=C1 7002AD [0,2,0,0,0,0|1,0,1]=4 102 B14R1.3651 C=C(C)CC1=CC=C(OC)C(OC)=C1 4887AD [0,2,0,0,0,0|0,0,1]=3 103 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 9290AE [0,2,0,0,0,0|1,0,1]=4 104 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 3095AH [0,2,0,0,0,0|1,0,1]=4 105 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 4539AD [0,2,0,0,0,0|0,0,2]=4 106 B14R1.14946 C=CCC1=C(O)C=C(OC)C(OC)=C1 8925AB [0,2,0,0,0,0|0,0,2]=4 107 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 Y2708 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1F X2821 [0,2,0,0,0,0|1,0,1]=4 109 B14R1.42 COC1=CC(\C=C\C(N)=O)=CC=C1O W2104 [0,2,0,0,0,0|0,0,1]=3 110 B12R2.44 COC1=CC2=C(C=C1)CNC2 1266AA [1,0,0,1,0,0|1,0,1]=4 111 B12R2.44 COC1=CC2=C(C=C1)CNC2 X9691 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.44 COC1=CC2=C(C=C1)OC=C2 6140AA [1,0,0,1,0,0|1,0,0]=3 113 B12R2.44 COC1=CC2=C(C=C1)OC=N2 5948AA [1,0,0,1,0,0|2,0,0]=4 114 B12R2.44 COC1=CC2=C(C=C1)ON=C2 5244AB [1,0,0,1,0,0|2,0,0]=4 115 B12R2.44 COC1=CC2=C(C=C1)SC=C2 Y1904 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.44 COC1=CC2=C(C=CC2)C=C1 4207AB [1,0,0,1,0,0|0,0,2]=4 117 B12R2.44 COC1=CC2=C(C=CS2)C=C1 5075AC [1,0,0,1,0,0|1,0,1]=4 118 B12R2.44 COC1=CC=C2CC=CC2=C1 4206AB [1,0,0,1,0,0|0,0,0]=2 119 B12R2.44 COC1=CC=C2CCNC2=C1 3570AJ [1,0,0,1,0,0|1,0,1]=4 120 B12R2.44 CSC1=CC2=C(C=C1)NC=C2 2950AL [1,0,0,1,0,0|1,1,0]=4 121 B12R2.315 COC1=C2SC=NC2=CC=C1 3720AJ [1,0,0,1,0,0|2,0,0]=4 122 B12R2.315 COC1=CC=CC2=C1CNC2 5316AA [1,0,0,1,0,0|1,0,1]=4 123 B12R2.315 COC1=CC=CC2=C1N=CS2 3196AB [1,0,0,1,0,0|2,0,0]=4 124 B12R2.315 COC1=CC=CN2C=CN=C12 0233AA [1,0,0,1,0,0|2,0,0]=4 125 B12R2.315 CSC1=CC=CC2=C1NC=C2 5919AC [1,0,0,1,0,0|1,1,0]=4 126 B12R2.82 CC1=C(F)C=CC2=C1NC=C2 V2370 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.100 CC1=CC2=C(C=C1F)NC=C2 8212AA [1,0,0,1,0,0|2,0,0]=4 128 B14R2.966 N\C(=N/O)C1=CC=C2OCOC2=C1 Y9174 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.2167 COC1=CC2=C(C=C1F)CCC2=O 2902AC [0,1,0,1,0,0|1,0,1]=4 130 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 3201AC [0,1,0,1,0,0|1,0,1]=4 131 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 8025AC [0,1,0,1,0,0|0,0,2]=4 132 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 8354AE [0,1,0,1,0,0|0,0,2]=4 133 B14R2.82 COC1=CC2=C(C=C1OC)NCC2 W3460 [0,1,0,1,0,0|1,0,1]=4 134 B14R2.1238 COC1=CC=C2C=CNC2=C1OC 3380AJ [0,1,0,1,0,0|1,0,0]=3 135 B14R2.991 CCNCC1=CC=C2OCOC2=C1 2548AA [0,1,0,1,0,0|0,0,2]=4 136 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 9813AC [0,1,0,1,0,0|1,0,1]=4 137 B14R2.1128 COC1=C(C)C=C2C=CC=CC2=C1 V6919 [0,1,0,1,0,0|1,0,1]=4