0 B12R1.286 COC1=C(F)C=CC(CC#N)=C1 3140AC [0,0,0,0,0,0|2,0,1]=3 1 B11R1.189 C=CCC1=CC(OC)=CC=C1 8319AD [1,0,0,0,0,0|0,0,0]=1 2 B11R1.189 CNCC1=CC(OC)=CC=C1 5753AB [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC(CCBr)=CC=C1 7285AD [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC(CCO)=CC=C1 6862AB [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC(\C=N\O)=CC=C1 2173AE [1,0,0,0,0,0|2,0,1]=4 6 B11R1.192 CC1=CC(SC#N)=CC=C1O 4825AB [1,0,0,0,0,0|2,0,1]=4 7 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 CNCC1=CC(C)=C(C)C=C1 8414AA [1,0,0,0,0,0|2,0,1]=4 9 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 COC1=CC(C#N)=CC=C1Br X9417 [1,0,0,0,0,0|2,0,1]=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=C1C L541 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 COC1=CC(CBr)=CC=C1Cl Z3822 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=CC(CO)=CC=C1F X8133 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COC1=CC(OC)=C(C)C=C1 2048AE [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=CC=C(F)C(OC)=C1 W3867 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.280 COC1=CC=C(O)C(OC)=C1 X9852 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 Q284 [0,1,0,0,0,0|0,0,3]=4 19 B13R1.52 COC1=CC(CC(=O)O)=CC=C1F X2685 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O L729 [0,1,0,0,0,0|0,0,1]=2 21 B13R1.52 COC1=CC(NC(C)=O)=CC=C1Cl V9910 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 9718AB [0,1,0,0,0,0|1,0,1]=3 23 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 1487AB [0,1,0,0,0,0|0,0,2]=3 24 B13R2.449 CCNC1=CC=C2OCOC2=C1 M758 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.449 CNCC1=CC=C2OCOC2=C1 7717AB [0,0,0,1,0,0|1,0,1]=3 26 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 5304AD [0,0,0,1,0,0|1,0,1]=3 27 B13R2.599 COC1=CC2=C(C=NN2)C=C1Br W3329 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.10 C=CCC1=CC(F)=CC=C1 9816AD [2,0,0,0,0,0|1,0,0]=3 29 B10R1.10 C=CCC1=CC=CC(Cl)=C1 2150AE [2,0,0,0,0,0|1,0,0]=3 30 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [2,0,0,0,0,0|1,0,1]=4 31 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.172 C#CC1=CC(OC)=CC=C1 X7096 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.172 C=CC1=CC(OC)=CC=C1 9451AB [2,0,0,0,0,0|0,0,0]=2 35 B10R1.172 CCC1=CC(C=O)=CC=C1 Z4620 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.172 COC1=CC(C=O)=NC=C1 8539AA [2,0,0,0,0,0|2,0,0]=4 37 B10R1.172 COC1=CC(CN)=NC=C1 W4154 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.172 COC1=CC(CO)=NC=C1 Z3478 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.172 COC1=CC(SC)=CC=C1 U812 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.172 COC1=CC=CC(CCl)=N1 Z5212 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.172 COC1=CC=CC(CN)=N1 Y8127 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.172 COC1=CC=CC(CO)=N1 Z4969 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.172 COC1=CN=CC(C=O)=C1 X9038 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.172 COC1=CN=CC(CO)=C1 Z1132 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.172 COC1=NC=CC(C=O)=C1 W8122 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [2,0,0,0,0,0|2,0,0]=4 47 B10R1.172 COC1=NC=CC(CN)=C1 V3407 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.172 COC1=NC=CC(CO)=C1 X9550 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [2,0,0,0,0,0|2,0,0]=4 52 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [2,0,0,0,0,0|1,0,1]=4 53 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 2629AB [2,0,0,0,0,0|2,0,0]=4 54 B10R1.176 CC1=CC(C=O)=CC=C1Cl Y3523 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.176 CC1=CC(CCl)=CC=C1Br V3412 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.176 CC1=CC(CO)=CC=C1Br W3250 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.176 CC1=CC(CO)=CC=C1F V4762 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.176 CCC1=CC(Br)=C(O)C=C1 7273AE [2,0,0,0,0,0|1,0,1]=4 59 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [2,0,0,0,0,0|0,0,1]=3 60 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [2,0,0,0,0,0|1,0,1]=4 61 B10R1.176 COC1=CC=C(O)C(C)=C1 Y5462 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.176 O=CC1=CC=C(Br)C(O)=C1 V4155 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [2,0,0,0,0,0|1,0,0]=3 64 B10R1.30 CC1=CC(CO)=C(O)C=C1 9929AL [2,0,0,0,0,0|2,0,0]=4 65 B10R1.30 CCC1=C(O)C=CC(C)=N1 R736 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.30 CCC1=CC(F)=CC=C1O 5252AB [2,0,0,0,0,0|2,0,0]=4 67 B10R1.30 COC1=C(C)C=CC(C)=C1 8752AA [2,0,0,0,0,0|1,0,0]=3 68 B10R1.30 COC1=C(C)C=CC(I)=C1 5867AH [2,0,0,0,0,0|2,0,0]=4 69 B10R1.30 COC1=C(F)C=CC(C)=C1 9757AB [2,0,0,0,0,0|1,0,0]=3 70 B10R1.30 COC1=C(F)C=CC(I)=C1 2100AC [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 COC1=C(N)C=CC(O)=C1 6080AJ [2,0,0,0,0,0|2,0,0]=4 72 B10R1.30 COC1=C(O)C=CC(I)=C1 2745AL [2,0,0,0,0,0|1,0,0]=3 73 B10R1.30 COC1=CC(C)=CC=C1Br X8417 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.30 COC1=CC(C)=CC=C1Cl Y6374 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.30 COC1=CC(C)=CC=C1N V7435 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.30 COC1=CC(Cl)=CC=C1F Y5128 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.30 COC1=CC(Cl)=CC=C1I W8277 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 COC1=CC(F)=CC=C1N V3864 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.30 COC1=CC(F)=CC=C1O L719 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.30 COC1=CC(I)=CC=C1Cl X8154 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.30 COC1=CC(N)=CC=C1C W3586 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 COC1=CC(O)=CC=C1Cl X4399 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.30 COC1=CC(O)=CC=C1N 9246AB [2,0,0,0,0,0|2,0,0]=4 84 B10R1.30 COC1=NC(C)=CC=C1Br V7464 [2,0,0,0,0,0|2,0,0]=4 85 B12R1.41 COC1=CC(F)=CC(CC#N)=C1 W9474 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.270 COC1=CC=C(Br)C(CCO)=C1 1737AC [1,1,0,0,0,0|1,0,1]=4 87 B12R1.270 COC1=CC=C(F)C(CC#N)=C1 W7782 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.280 C=CCC1=C(O)C(C=O)=CC=C1 X4650 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 5224AH [1,1,0,0,0,0|2,0,0]=4 90 B12R1.382 COC1=CC=CC(CN=C=S)=C1 9218AE [1,1,0,0,0,0|1,0,1]=4 91 B12R1.382 COC1=CC=CC(OCCN)=C1 9926AB [1,1,0,0,0,0|1,0,1]=4 92 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 W3057 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 7392AE [1,1,0,0,0,0|1,0,0]=3 94 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 9530AD [1,1,0,0,0,0|0,0,1]=3 95 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 1466AE [1,1,0,0,0,0|1,0,0]=3 96 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 8358AB [1,1,0,0,0,0|2,0,0]=4 97 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 6150AE [1,1,0,0,0,0|1,0,1]=4 98 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 2940AB [1,1,0,0,0,0|1,0,0]=3 99 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N 5220AJ [1,1,0,0,0,0|2,0,0]=4 100 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 W6378 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 X3797 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 9083AD [1,1,0,0,0,0|2,0,0]=4 103 B12R1.56 COC1=C(O)C=CC(C(=O)[O-])=C1 8979AL [1,1,0,0,0,0|1,0,0]=3 104 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 1912AB [1,1,0,0,0,0|0,0,1]=3 105 B12R1.56 COC1=CC(B(O)O)=CC=C1O V3926 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.56 COC1=CC(C(=O)O)=CN=C1O Z7814 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.56 COC1=CC(C(C)=O)=CC=C1F W7603 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 W6255 [1,1,0,0,0,0|0,0,2]=4 109 B12R1.300 COC1=C(O)C(F)=CC(C=O)=C1 W8496 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O 4991AE [1,1,0,0,0,0|1,0,1]=4 111 B12R1.449 COC1=CC(C=O)=C(F)C=C1F 5341AJ [1,1,0,0,0,0|2,0,0]=4 112 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4923AH [1,1,0,0,0,0|1,0,0]=3 113 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 5843AH [1,1,0,0,0,0|1,0,1]=4 114 B14R1.41 COC1=C(O)C=CC(C(O)C(=O)O)=C1 8088AF [0,2,0,0,0,0|1,0,0]=3 115 B14R1.343 COC1=CC(CN(C)C)=CC(F)=C1O Y3577 [0,2,0,0,0,0|1,0,1]=4 116 B14R1.439 CCOC1=CC(CC(=O)O)=CC=C1O 9914AE [0,2,0,0,0,0|1,0,0]=3 117 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 3095AH [0,2,0,0,0,0|1,0,0]=3 118 B14R1.3651 COC1=CC=C(CC(N)=S)C=C1OC 7750AJ [0,2,0,0,0,0|1,0,0]=3 119 B14R1.793 CNCCC1=CC=C(OC)C(OC)=C1 C344 [0,2,0,0,0,0|0,0,2]=4 120 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 9265AB [0,2,0,0,0,0|1,0,1]=4 121 B14R1.3236 C=CCC1=CC(OC)=C(O)C(C=O)=C1 6747AL [0,2,0,0,0,0|0,0,0]=2 122 B12R2.44 COC1=CC2=C(C=C1)CNC2 X9691 [1,0,0,1,0,0|1,0,1]=4 123 B12R2.44 COC1=CC2=C(C=C1)CNC2 Z3916 [1,0,0,1,0,0|1,0,1]=4 124 B12R2.44 COC1=CC2=C(C=C1)OC=C2 6140AA [1,0,0,1,0,0|1,0,1]=4 125 B12R2.44 COC1=CC2=C(C=C1)SC=N2 2987AB [1,0,0,1,0,0|2,0,0]=4 126 B12R2.44 COC1=CC2=C(C=CC2)C=C1 4207AB [1,0,0,1,0,0|0,0,0]=2 127 B12R2.44 COC1=CC2=C(C=CS2)C=C1 5075AC [1,0,0,1,0,0|1,0,0]=3 128 B12R2.44 COC1=CC=C2C=CNC2=N1 W9253 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.44 COC1=CC=C2C=COC2=C1 6968AB [1,0,0,1,0,0|1,0,0]=3 130 B12R2.44 COC1=CC=C2C=NNC2=C1 L862 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.44 COC1=CC=C2N=CSC2=C1 W5194 [1,0,0,1,0,0|2,0,0]=4 132 B12R2.315 COC1=C2C=CNC2=NC=C1 Y5244 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.315 COC1=C2NCCC2=CC=C1 3723AJ [1,0,0,1,0,0|1,0,1]=4 134 B12R2.315 COC1=CC=CC2=C1CNC2 Z3970 [1,0,0,1,0,0|1,0,1]=4 135 B12R2.100 CC1=C(Br)C=C2C=CNC2=C1 6350AJ [1,0,0,1,0,0|2,0,0]=4 136 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 Z1653 [1,0,0,1,0,0|1,0,0]=3 137 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 9194AB [0,1,0,1,0,0|1,0,1]=4 138 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 1280AC [0,1,0,1,0,0|2,0,0]=4 139 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br W7408 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.991 OCCNC1=CC=C2OCOC2=C1 Z5371 [0,1,0,1,0,0|1,0,1]=4 141 B14R2.1128 COC1=CC2=C(C=NCC2)C=C1O 6332AB [0,1,0,1,0,0|0,0,1]=3