0 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 W5405 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 6793AJ [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 0579AB [0,0,0,0,0,0|3,0,1]=4 3 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.1 CCOCC1=CN=C(N)C=C1 Y4084 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.1 NC1=CC=C(CCCO)C=C1 2833AC [1,0,0,0,0,0|2,0,1]=4 6 B11R1.16 O=C(CCBr)C1=CC=CC=C1 Y1959 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 O=C(\C=C\Cl)C1=CC=CC=C1 0138AQ [1,0,0,0,0,0|2,0,1]=4 8 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 9510AH [1,0,0,0,0,0|2,0,0]=3 9 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [1,0,0,0,0,0|1,0,2]=4 10 B11R1.22 NC1=CC=C(C(=O)CCl)C=C1 2322AB [1,0,0,0,0,0|1,0,0]=2 11 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 7216AA [1,0,0,0,0,0|3,0,0]=4 12 B13R1.17 CC1=CC=C(C(=O)NCC#N)C=C1 B187 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.17 NC1=CC=C(C(=O)CCCO)C=C1 9455AH [0,1,0,0,0,0|1,0,0]=2 14 B13R1.29 CCNS(=O)(=O)C1=CC=C(Cl)C=C1 7073AE [0,1,0,0,0,0|3,0,0]=4 15 B13R1.132 CC(C)OC(=O)C1=NN=C(Cl)C=C1 W5406 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.452 CCOC(=O)C1=CN=C(CCl)C=C1 0457AA [0,1,0,0,0,0|2,0,0]=3 17 B13R1.452 CCOC(=O)C1=CN=C(NN)C=C1 8379AE [0,1,0,0,0,0|1,0,0]=2 18 B13R1.452 CCOC(=O)C1=NC=C(C#N)C=C1 2868AE [0,1,0,0,0,0|1,0,1]=3 19 B13R1.466 CCCC(=O)C1=CC(C)=C(C)C=C1 1136AE [0,1,0,0,0,0|2,0,0]=3 20 B13R1.466 CCNC(=O)C1=CC=C(Br)C(N)=C1 Z7846 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)N=C1 4098AJ [0,1,0,0,0,0|2,0,0]=3 22 B13R1.466 CCOC(=O)C1=CC=C(Br)C(Br)=C1 9011AB [0,1,0,0,0,0|1,0,0]=2 23 B13R1.466 CCOC(=O)C1=NC=C(N)C(N)=C1 0082AA [0,1,0,0,0,0|1,0,0]=2 24 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 2827AA [0,1,0,0,0,0|1,0,0]=2 25 B13R1.1511 CCOC(=O)C1=C(N)C=C(N)N=C1 6619AA [0,1,0,0,0,0|1,0,0]=2 26 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)C=C1 5706AB [0,1,0,0,0,0|1,0,0]=2 27 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1C X6104 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1Cl 3866AA [0,1,0,0,0,0|2,0,0]=3 29 B13R1.1511 COCC(=O)C1=C(O)C=C(O)C=C1 5864AE [0,1,0,0,0,0|3,0,0]=4 30 B13R2.12 BrC1=CC=C(C2=NCCC2)C=C1 2834AL [0,0,0,1,0,0|3,0,0]=4 31 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 Y8062 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.5179 O=C1COCC2=C1C=CC(Br)=C2 8619AA [0,0,0,1,0,0|3,0,0]=4 33 B13R2.5179 O=C1NCCC2=C1C=NC(Cl)=C2 3507AJ [0,0,0,1,0,0|3,0,0]=4 34 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 5338AE [0,0,0,0,1,0|3,0,0]=4 35 B11R1.15 CCOC(=O)C1=CC(Br)=CO1 8660AB [0,0,0,0,1,0|2,0,0]=3 36 B11R1.15 CCOC(=O)C1=CC(I)=CN1 3324AE [0,0,0,0,1,0|2,0,0]=3 37 B11R1.15 CCOC(=O)C1=CC=C(N)N1 W8281 [0,0,0,0,1,0|1,0,0]=2 38 B11R1.15 CCOC(=O)C1=COC(C)=C1 2372AB [0,0,0,0,1,0|2,0,0]=3 39 B11R1.15 CCOC(=O)C1=NC(C)=CN1 5382AB [0,0,0,0,1,0|3,0,0]=4 40 B11R1.15 CCOC(=O)C1=NOC(I)=C1 4101AJ [0,0,0,0,1,0|3,0,0]=4 41 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 3021AH [0,0,0,0,0,1|2,0,0]=3 42 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 8810AB [0,0,0,0,0,1|0,0,0]=1 43 B13R1.19 CCOC(=O)CC1=NC=C(N)C=N1 6667AJ [0,0,0,0,0,1|2,0,0]=3 44 B10R1.1 C=COC1=CC=C(N)C=C1 7199AC [2,0,0,0,0,0|0,0,2]=4 45 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [2,0,0,0,0,0|2,0,0]=4 46 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [2,0,0,0,0,0|2,0,0]=4 48 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [2,0,0,0,0,0|2,0,0]=4 49 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.13 NC1=CN=C(C(=O)O)C=N1 Y3266 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 N[N+]1=CC=C(C(=O)[O-])C=C1 9677AH [2,0,0,0,0,0|1,0,1]=4 54 B12R1.17 CCOC(=O)C1=CC=NC(C)=N1 1859AC [1,1,0,0,0,0|2,0,0]=4 55 B12R1.17 CCOC(=O)C1=NC=CC(C)=N1 3390AA [1,1,0,0,0,0|2,0,0]=4 56 B12R1.17 CCOC(=O)C1=NC=NC(C)=C1 7376AA [1,1,0,0,0,0|2,0,0]=4 57 B12R1.17 O=C(CCCl)C1=CC(F)=CC=C1 0293AF [1,1,0,0,0,0|2,0,0]=4 58 B12R1.308 CC1=CC=CC=C1C(=O)CCCl 2529AF [1,1,0,0,0,0|2,0,0]=4 59 B12R1.308 CCOC(=O)C1=C(Cl)N=NC=C1 7125AA [1,1,0,0,0,0|2,0,0]=4 60 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1[O-] 9464AD [1,1,0,0,0,0|1,0,0]=3 61 B12R1.308 CCOC(=O)C1=CC=NN=C1C 6927AC [1,1,0,0,0,0|2,0,0]=4 62 B12R1.308 CCOC(=O)C1=NC=CC=C1Cl 3470AD [1,1,0,0,0,0|1,0,0]=3 63 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 1521AA [1,1,0,0,0,0|1,0,0]=3 64 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 4289AJ [1,1,0,0,0,0|1,0,0]=3 65 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 L175 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.9 CCS(=O)(=O)C1=CC=C(Cl)C=C1 1182AC [1,1,0,0,0,0|2,0,0]=4 67 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 4303AJ [1,1,0,0,0,0|2,0,0]=4 68 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 0882AC [1,1,0,0,0,0|0,0,0]=2 69 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 3877AA [1,1,0,0,0,0|2,0,0]=4 70 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 7803AE [1,1,0,0,0,0|2,0,0]=4 71 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 3139AC [1,1,0,0,0,0|1,0,0]=3 72 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 Z5185 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.367 O=C(CCl)C1=CC=C(Br)C(F)=C1 5006AA [1,1,0,0,0,0|2,0,0]=4 74 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 X5571 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.1703 COC(=O)C1=C(N)C=C(N)N=C1 6629AA [1,1,0,0,0,0|1,0,0]=3 76 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1N 0625AF [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1703 COC(=O)C1=CC=C(N)N=C1C Y4417 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N 3614AC [1,1,0,0,0,0|2,0,0]=4 79 B12R1.312 CCOC(=O)C1=CC(CO)=CS1 7004AA [0,1,0,0,1,0|2,0,0]=4 80 B12R1.312 CCOC(=O)C1=CC=C(CBr)S1 6991AA [0,1,0,0,1,0|2,0,0]=4 81 B12R1.312 CCOC(=O)C1=CSC(CN)=N1 5468AC [0,1,0,0,1,0|2,0,0]=4 82 B12R1.313 CCOC(=O)C1=C(C)OC(C)=C1 9257AD [0,1,0,0,1,0|2,0,0]=4 83 B12R1.313 CCOC(=O)C1=C(N)C=C(C)N1 0223AA [0,1,0,0,1,0|2,0,0]=4 84 B12R1.313 CCOC(=O)C1=NC(N)=CN1C 3375AL [0,1,0,0,1,0|2,0,0]=4 85 B12R1.314 CCOC(=O)C1=CC(Br)=C(Br)O1 7774AB [0,1,0,0,1,0|2,0,0]=4 86 B12R1.314 CCOC(=O)C1=CC(Cl)=C(Cl)S1 5579AA [0,1,0,0,1,0|2,0,0]=4 87 B14R1.35 CCOC(=O)C(O)C1=CC=C(Cl)C=C1 3323AL [0,1,0,0,0,1|1,0,0]=3 88 B14R1.698 CC(C)NC(=O)NC1=CC=C(O)C=C1 1516AB [0,1,0,0,0,1|2,0,0]=4 89 B14R1.967 CCOC(=O)CC1=CC(F)=C(I)C=C1 5047AA [0,1,0,0,0,1|1,0,0]=3 90 B14R1.6823 CCOC(=O)OC1=CC=C(Cl)C=C1Cl 7800AD [0,1,0,0,0,1|1,0,0]=3 91 B14R1.19 O=C(CCCCCl)C1=CC=C(Br)C=C1 5431AE [0,2,0,0,0,0|2,0,0]=4 92 B14R1.926 N#CC1=CC=C(C(=O)CCCCl)C=C1 6351AD [0,2,0,0,0,0|1,0,1]=4 93 B14R1.305 CCC(C)(C)C(=O)C1=CC=C(C)C=C1 5381AD [0,2,0,0,0,0|2,0,0]=4 94 B14R1.683 CC1=CC=C(C(=O)CC(C)(C)C)C=C1 8032AE [0,2,0,0,0,0|2,0,0]=4 95 B14R1.6048 CC(C)OC(=O)C1=NC=C(Br)C=C1N 3666AD [0,2,0,0,0,0|2,0,0]=4 96 B14R1.25 CCOC(=O)C1=NC=C(OCC)C=C1 5798AA [0,2,0,0,0,0|2,0,0]=4 97 B14R1.610 CCOC(=O)C1=NC=C(C(=O)O)C=C1 5973AD [0,2,0,0,0,0|2,0,0]=4 98 B14R1.610 CCOC(=O)C1=NC=C(C(C)=O)C=C1 4661AF [0,2,0,0,0,0|2,0,0]=4 99 B14R1.628 CCOC(=O)C1=CC(O)=C(OC)C=C1 7398AA [0,2,0,0,0,0|1,0,0]=3 100 B14R1.626 CCOC(=O)C1=CC(C=O)=C(O)C=C1 0533AQ [0,2,0,0,0,0|1,0,0]=3 101 B14R1.626 CCOC(=O)C1=CC=C(Br)C(OC)=N1 3844AA [0,2,0,0,0,0|2,0,0]=4 102 B14R1.6821 CCOC(=O)C1=CC(F)=C(C)C(N)=C1 Z1759 [0,2,0,0,0,0|1,0,0]=3 103 B14R1.6821 CCOC(=O)C1=CC(F)=C(Cl)C(Br)=C1 Z3918 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.7264 CCOC(=O)C1=C(C)N=C(Br)C(N)=C1 2459AA [0,2,0,0,0,0|2,0,0]=4 105 B14R1.7265 CCOC(=O)C1=C(Cl)C(Cl)=C(Cl)N=C1 2582AL [0,2,0,0,0,0|2,0,0]=4 106 B14R1.7265 CCOC(=O)C1=CC=C(F)C(F)=C1Cl 5037AA [0,2,0,0,0,0|1,0,0]=3 107 B14R1.7233 CCOC(=O)C1=C(CBr)C=C(Cl)C=C1 7708AA [0,2,0,0,0,0|1,0,0]=3 108 B14R1.7233 CCOC(=O)C1=CC=C(Cl)N=C1OC 1455AA [0,2,0,0,0,0|2,0,0]=4 109 B14R1.18811 CCOC(=O)C1=C(Br)C=C(F)C=C1Br 9898AL [0,2,0,0,0,0|1,0,0]=3 110 B14R1.18811 CCOC(=O)C1=C(C)N=C(N)N=C1C 7974AB [0,2,0,0,0,0|2,0,0]=4 111 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(C)N=C1C Y9870 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.18811 CCOC(=O)C1=C(F)C=C(C)C=C1F 6115AA [0,2,0,0,0,0|1,0,0]=3 113 B14R1.18811 CCOC(=O)C1=C(O)C=C(O)C=C1O 9414AF [0,2,0,0,0,0|1,0,0]=3 114 B12R2.24 ClC1=CC2=C(C=C1)COCC2 2268AC [1,0,0,1,0,0|1,0,1]=4 115 B12R2.24 NC1=CC2=C(C=C1)CNCC2 1216AC [1,0,0,1,0,0|1,0,1]=4 116 B12R2.24 NC1=CC=C2NCCCC2=C1 9584AH [1,0,0,1,0,0|2,0,0]=4 117 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [1,0,0,1,0,0|1,0,1]=4 118 B12R2.1081 O=C1CCCC2=C1C=CN=C2 0827AA [1,0,0,1,0,0|2,0,0]=4 119 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [1,0,0,1,0,0|2,0,0]=4 120 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [1,0,0,1,0,0|2,0,0]=4 121 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 2414AJ [1,0,0,1,0,0|1,0,1]=4 122 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 2348AJ [1,0,0,1,0,0|2,0,0]=4 123 B12R2.612 CC1=CC=C2C(=O)NCC2=C1 3267AJ [1,0,0,1,0,0|2,0,0]=4 124 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 1199AB [1,0,0,1,0,0|2,0,0]=4 125 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 4891AC [1,0,0,1,0,0|2,0,0]=4 126 B14R2.106 CCCC1=NC2=C(C=C(N)C=C2)S1 6068AE [0,0,0,1,0,1|1,1,0]=4 127 B14R2.926 CC1=CC=C(N2CCCC2=O)C=C1 9672AD [0,0,0,1,0,1|2,0,0]=4 128 B14R2.7974 O=C1CCCC2=CC(Br)=CC=C2N1 7689AB [0,0,0,1,0,1|2,0,0]=4 129 B14R2.1095 CCN1CC2=CC(Br)=CC=C2C1=O 3119AJ [0,1,0,1,0,0|2,0,0]=4 130 B14R2.10627 O=C(C1=CC=C(Cl)C=C1)C2(F)CC2 Z2067 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.1 NCC1=CC=C(C2OCCO2)C=C1 1349AL [0,1,0,1,0,0|0,0,2]=4 132 B14R2.954 O=C(C1=CC=C(Br)C(F)=C1)C2CC2 2568AF [0,1,0,1,0,0|2,0,0]=4 133 B14R2.954 O=C(C1=CC=C(F)C(Cl)=C1)C2CC2 2569AF [0,1,0,1,0,0|2,0,0]=4 134 B14R2.8038 CC1=C(Br)C=CC2=C1CCCC2=O 3470AJ [0,1,0,1,0,0|2,0,0]=4 135 B14R2.28472 O=C1NCCC2=C1C=C(O)C(O)=C2 5931AH [0,1,0,1,0,0|2,0,0]=4 136 B14R2.9203 O=C(C1=CC=C(F)C=C1Cl)C2CC2 2570AF [0,1,0,1,0,0|2,0,0]=4 137 B10R1.11 CCOC(=O)C1=CSC=N1 0643AC [1,0,0,0,1,0|2,0,0]=4 138 B10R1.14 COC(=O)C1=CC(F)=CN1 6491AB [1,0,0,0,1,0|2,0,0]=4 139 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [1,0,0,0,1,0|2,0,0]=4 140 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [1,0,0,0,1,0|2,0,0]=4 141 B12R1.32 CCOC(=O)CC1=CN=CN=C1 9335AB [1,0,0,0,0,1|2,0,0]=4 142 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [1,0,0,0,0,1|2,0,0]=4 143 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 9018AB [0,0,0,0,0,2|1,0,0]=3 144 B14R1.502 CCOC(=O)\N=C\C1=CC=C(Cl)C=C1 0501AC [0,0,0,0,0,2|1,0,0]=3