0 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 Z3813 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.18 CC1=C(Br)N2C=CC=CC2=N1 Y9193 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [0,0,0,0,0,0|1,0,2]=3 3 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 1131AB [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,0,0,0,0,0|2,1,0]=3 5 B12R2.18 CN1C(=S)SC2=CC=CC=C21 Z2745 [0,0,0,0,0,0|2,1,0]=3 6 B12R2.18 ClC1=C(Br)N=C2C=CC=CN21 2567AA [0,0,0,0,0,0|4,0,0]=4 7 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,0,0,0,0,0|3,0,1]=4 8 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O 8643AA [0,0,0,0,0,0|4,0,0]=4 10 B12R2.18 O=C1NC2=CC=CN=C2C1=O 9886AH [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 BrC1=CNC2=C1C=NC=C2 Y8381 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [1,0,0,0,0,0|1,0,0]=2 13 B11R2.1 BrC1=CSC2=C1C=CN=C2 Y5371 [1,0,0,0,0,0|2,1,0]=4 14 B11R2.1 BrC1=CSC2=C1C=NC=C2 Y5372 [1,0,0,0,0,0|2,1,0]=4 15 B11R2.1 BrC1=CSC2=CC=CN=C12 2224AJ [1,0,0,0,0,0|2,1,0]=4 16 B11R2.1 BrC1=CSC2=NC=CC=C12 Z4557 [1,0,0,0,0,0|2,1,0]=4 17 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [1,0,0,0,0,0|0,0,0]=1 19 B11R2.1 CC1=NN=C2C=CC=CN12 1751AA [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 CC1=NNC2=NC=CC=C12 SYNMC0922 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 CN1C=NC2=CC=CN=C21 V7198 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 CN1C=NC2=NC=CC=C21 W6041 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 ClC1=CN=C2C=CC=CN12 7534AB [1,0,0,0,0,0|3,0,0]=4 24 B11R2.1 ClC1=COC2=CC=CC=C12 9647AB [1,0,0,0,0,0|1,0,0]=2 25 B11R2.1 ClC1=NOC2=C1C=CC=C2 W3544 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 IC1=CNC2=C1C=CN=C2 Y4841 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 IC1=CNC2=C1C=NC=C2 W9006 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.1 NC1=C2C=CC=CN2N=C1 4466AJ [1,0,0,0,0,0|3,0,0]=4 29 B11R2.1 NC1=C2C=CC=CN2N=C1 6489AA [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 NC1=C2C=CC=CN2N=C1 6617AA [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 NC1=CN=C2C=CC=CN12 2710AB [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 NC1=CNC2=C1C=CC=N2 X8537 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 NC1=CNC2=NC=CC=C12 W4084 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 NC1=CSC2=C1C=CN=C2 Y9682 [1,0,0,0,0,0|2,1,0]=4 35 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [1,0,0,0,0,0|1,1,0]=3 36 B11R2.1 NC1=CSC2=CC=CN=C12 Y5227 [1,0,0,0,0,0|2,1,0]=4 37 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.1 NC1=NOC2=NC=CC=C12 SYNMC0920 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.1 NC1=NOC2=NC=CC=C12 V9236 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [1,0,0,0,0,0|1,0,2]=4 41 B11R2.1 NC1COC2=CC=CC=C21 4904AH [1,0,0,0,0,0|1,0,2]=4 42 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [1,0,0,0,0,0|1,0,2]=4 43 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [1,0,0,0,0,0|2,0,0]=3 44 B11R2.1 O=C1COC2=C1C=CC=N2 2516AB [1,0,0,0,0,0|2,0,1]=4 45 B11R2.1 O=C1COC2=C1C=CN=C2 1438AA [1,0,0,0,0,0|2,0,1]=4 46 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [1,0,0,0,0,0|2,0,1]=4 47 B11R2.10 BrB1OC2=C(C=CC=C2)O1 5512AL [1,0,0,0,0,0|3,0,0]=4 48 B11R2.10 BrC1=CC2=C(C=CN=C2)S1 6083AC [1,0,0,0,0,0|2,1,0]=4 49 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 5006AH [1,0,0,0,0,0|3,0,0]=4 50 B11R2.10 BrC1=CC2=C(C=NC=C2)S1 Y4010 [1,0,0,0,0,0|2,1,0]=4 51 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [1,0,0,0,0,0|0,0,0]=1 52 B11R2.10 CC1=CC2=C(C=NC=C2)N1 0065AC [1,0,0,0,0,0|2,0,0]=3 53 B11R2.10 CC1=CN2N=CC=CC2=N1 9001AA [1,0,0,0,0,0|3,0,0]=4 54 B11R2.10 ClB1OC2=C(C=CC=C2)O1 5556AL [1,0,0,0,0,0|3,0,0]=4 55 B11R2.10 ClC1=NC2=C(C=NC=C2)O1 4909AA [1,0,0,0,0,0|3,0,0]=4 56 B11R2.10 ClC1=NC2=CC=CN=C2O1 8050AA [1,0,0,0,0,0|3,0,0]=4 57 B11R2.10 ClC1=NC2=NC=CC=C2O1 0645AP [1,0,0,0,0,0|3,0,0]=4 58 B11R2.10 ClC1=NN2C=CC=CC2=C1 W7310 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [1,0,0,0,0,0|2,0,0]=3 60 B11R2.10 NC1=CC2=C(C=CC=C2)N1 U958 [1,0,0,0,0,0|2,0,0]=3 61 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [1,0,0,0,0,0|1,1,0]=3 62 B11R2.10 NC1=NC2=C(C=CC=C2)S1 5495AL [1,0,0,0,0,0|2,1,0]=4 63 B11R2.10 NC1=NC2=C(C=CN=C2)O1 Z3900 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.10 NC1=NC2=C(N=CC=C2)O1 3092AA [1,0,0,0,0,0|3,0,0]=4 65 B11R2.10 NC1=NC2=NC=CC=C2O1 V5829 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [1,0,0,0,0,0|3,0,0]=4 67 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [1,0,0,0,0,0|2,0,0]=3 68 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 4949AE [0,1,0,0,0,0|1,0,1]=3 69 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 7533AD [0,1,0,0,0,0|0,1,1]=3 70 B13R2.45 CCC1=C(C)C2=CC=CC=C2O1 2498AC [0,1,0,0,0,0|0,0,0]=1 71 B13R2.45 CN1C(CO)=CC2=C1C=CC=C2 8337AH [0,1,0,0,0,0|2,0,0]=3 72 B13R2.45 CN1C2=CC=CC=C2N=C1CBr 6436AA [0,1,0,0,0,0|2,0,0]=3 73 B13R2.45 CN1C2=CC=CC=C2N=C1CCl 6496AB [0,1,0,0,0,0|2,0,0]=3 74 B13R2.45 CN1C2=CC=CC=C2N=C1NN V7381 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.45 ClCC1=C(Cl)C2=C(C=CC=C2)S1 2231AJ [0,1,0,0,0,0|1,1,0]=3 76 B13R2.45 N#CC1=C(N)C2=CC=CC=C2C1 5779AJ [0,1,0,0,0,0|2,0,1]=4 77 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 Z5457 [0,1,0,0,0,0|1,1,1]=4 78 B13R2.45 OCC1=C(Cl)C2=CC=CC=C2S1 8634AH [0,1,0,0,0,0|1,1,0]=3 79 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)O1 5577AE [0,1,0,0,0,0|0,0,1]=2 80 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 5083AH [0,1,0,0,0,0|0,1,1]=3 81 B13R2.135 CC1=C(CN)N2C=CC=CC2=N1 4213AH [0,1,0,0,0,0|2,0,0]=3 82 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 8228AA [0,1,0,0,0,0|3,0,0]=4 83 B13R2.135 CCN1C2=CC=CC=C2N=C1S 2439AE [0,1,0,0,0,0|3,0,0]=4 84 B13R2.135 CC[N+]1=C(Cl)OC2=C1C=CC=C2 5562AL [0,1,0,0,0,0|2,0,0]=3 85 B13R2.135 CN1N=C2C=CC=CC2=C1C=O W5574 [0,1,0,0,0,0|2,0,1]=4 86 B13R2.135 NCC1C(=O)NC2=C1C=CC=C2 3127AA [0,1,0,0,0,0|2,0,1]=4 87 B13R2.135 NCC1C(=O)NC2=C1C=CC=C2 5666AB [0,1,0,0,0,0|2,0,1]=4 88 B13R2.135 O=C1SC2=CC=CC=C2N1CO 8788AE [0,1,0,0,0,0|2,1,0]=4 89 B13R2.3028 CC1=C(C)C2=C(C=CC(N)=C2)N1 5357AD [0,1,0,0,0,0|1,0,0]=2 90 B13R2.3028 CC1=C(C)C2=CC(F)=CC=C2N1 7444AB [0,1,0,0,0,0|1,0,0]=2 91 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 5108AC [0,1,0,0,0,0|2,0,1]=4 92 B13R2.3028 CN1CC2=C(C=C(N)C=C2)C1=O 8222AE [0,1,0,0,0,0|3,0,0]=4 93 B13R2.3028 NC1=CC2=C(C=C1)NC(=O)C2=O 5907AB [0,1,0,0,0,0|3,0,0]=4 94 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 Y8666 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br Y4492 [0,1,0,0,0,0|3,0,0]=4 96 B13R2.4856 CC1=C(C)C2=C(N)N=CN=C2N1 2863AL [0,1,0,0,0,0|3,0,0]=4 97 B13R2.4856 CC1=C2C(=CC=C1)N=C(N)N2C 5027AJ [0,1,0,0,0,0|3,0,0]=4 98 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 Z7397 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 X7069 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.5190 CC1=CC2=C(C=C1)C(=O)C(=O)N2 Z3049 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.5190 CC1=CC2=C(C=C1)N(C)C(N)=N2 5022AJ [0,1,0,0,0,0|3,0,0]=4 102 B13R2.5190 CC1=CC2=CC(N)=CC=C2N1C 1760AC [0,1,0,0,0,0|2,0,0]=3 103 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C 1344AE [0,1,0,0,0,0|2,0,0]=3 104 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C 1345AE [0,1,0,0,0,0|2,0,0]=3 105 B13R2.5190 CC1CC2=C(C=CC(Br)=C2)C1=O 3122AJ [0,1,0,0,0,0|2,0,1]=4 106 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 Y8209 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 Y8210 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 4705AF [0,1,0,0,0,0|2,0,0]=3 109 B13R2.5190 O=C1NC2=C(C=CC(O)=C2)C1=O Z7784 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 O760 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,0,1,0,0,0|0,0,2]=3 112 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,0,1,0,0,0|1,0,2]=4 113 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,0,1,0,0,0|1,0,2]=4 114 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,0,1,0,0,0|3,0,0]=4 116 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,0,1,0,0,0|2,0,1]=4 117 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,0,1,0,0,0|1,0,2]=4 118 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,0,1,0,0,0|2,0,1]=4 119 B11R1.41 CCNC1=C(OC)C=CC=C1 0860AF [0,0,1,0,0,0|2,0,1]=4 120 B11R1.41 CCOC1=CC=CC=C1CCl 9104AB [0,0,1,0,0,0|1,0,2]=4 121 B11R1.41 CCOC1=CC=CC=C1NC 6851AD [0,0,1,0,0,0|1,0,1]=3 122 B11R1.41 CCOC1=CC=CC=C1OC 1622AL [0,0,1,0,0,0|1,0,1]=3 123 B11R1.41 CCOC1=NC=CC=C1C=O 4245AC [0,0,1,0,0,0|2,0,1]=4 124 B11R1.41 COC1=C(CC=O)C=CC=C1 3932AB [0,0,1,0,0,0|3,0,0]=4 125 B11R1.41 O=CNC1=CC=CC=C1C=O 2093AB [0,0,1,0,0,0|3,0,0]=4 126 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [0,0,1,0,0,0|3,0,0]=4 127 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [0,0,1,0,0,0|2,0,1]=4 128 B11R1.222 CNC(=O)C1=CC=CC=C1C 1029AB [0,0,1,0,0,0|3,0,0]=4 129 B11R1.222 CNC(C)C1=CC=CC=C1Cl W6646 [0,0,1,0,0,0|2,0,1]=4 130 B13R2.32 CC1=C(Br)C2=C(C=C1)C=NC=C2 2405AA [0,0,0,0,0,1|3,0,0]=4 131 B13R2.32 CC1=C(Br)C2=CC=CC=C2C=N1 2705AJ [0,0,0,0,0,1|2,0,0]=3 132 B13R2.32 CC1=C(C)C2=NC=CC=C2C=C1 V4250 [0,0,0,0,0,1|2,0,0]=3 133 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 9598AB [0,0,0,0,0,1|2,0,0]=3 134 B13R2.32 CC1=C(N)C2=CC=CN=C2C=C1 4399AE [0,0,0,0,0,1|3,0,0]=4 135 B13R2.32 CC1=C(N)C=NC2=CC=CC=C21 Y9270 [0,0,0,0,0,1|2,0,0]=3 136 B13R2.32 CC1=CC=C2C=CC=CC2=C1C 5964AF [0,0,0,0,0,1|1,0,0]=2 137 B13R2.32 CC1=CC=C2C=CC=CC2=C1N 1343AB [0,0,0,0,0,1|2,0,0]=3 138 B13R2.32 CC1=CC=C2C=CC=CC2=C1N 4747AL [0,0,0,0,0,1|2,0,0]=3 139 B13R2.32 ClC1=C2C=CC=CC2=NC=C1Br 1586AC [0,0,0,0,0,1|3,0,0]=4 140 B13R2.32 NC1=C(Br)C=CC2=CC=CC=C21 2021AC [0,0,0,0,0,1|3,0,0]=4 141 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 W5793 [0,0,0,0,0,1|3,0,0]=4 142 B13R2.32 NC1=C(Br)N=CC2=CC=CC=C21 W6046 [0,0,0,0,0,1|3,0,0]=4 143 B13R2.32 NC1=C2C=CC=CC2=CC=C1O D097 [0,0,0,0,0,1|3,0,0]=4 144 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 2350AL [0,0,0,0,0,1|2,0,0]=3 145 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=N1 4705AB [0,0,0,0,0,1|3,0,0]=4 146 B13R2.32 OC1=CC=C2C=CC=CC2=C1O 4452AL [0,0,0,0,0,1|3,0,0]=4 147 B13R2.328 BrC1=CC(Br)=NC2=C1C=CC=C2 0341AB [0,0,0,0,0,1|3,0,0]=4 148 B13R2.328 BrC1=NC(Br)=C2C=CC=CC2=C1 W6829 [0,0,0,0,0,1|3,0,0]=4 149 B13R2.328 BrC1=NC(Br)=C2C=CC=CC2=N1 W8956 [0,0,0,0,0,1|3,0,0]=4 150 B13R2.328 CC1=C2C=CC=CC2=CC(O)=N1 V3666 [0,0,0,0,0,1|2,0,0]=3 151 B13R2.328 CC1=C2C=CC=CC2=NC(N)=C1 2796AA [0,0,0,0,0,1|2,0,0]=3 152 B13R2.328 CC1=C2N=CC=CC2=CC(F)=C1 Z7601 [0,0,0,0,0,1|3,0,0]=4 153 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 Y6083 [0,0,0,0,0,1|3,0,0]=4 154 B13R2.328 CC1=CC(C)=C2C=CC=CC2=C1 4571AL [0,0,0,0,0,1|1,0,0]=2 155 B13R2.328 CC1=CC(C)=C2C=CC=CC2=N1 Y3188 [0,0,0,0,0,1|1,0,0]=2 156 B13R2.328 CC1=CC(Cl)=C2C=CC=NC2=N1 2428AD [0,0,0,0,0,1|3,0,0]=4 157 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 Z4361 [0,0,0,0,0,1|3,0,0]=4 158 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 2357AJ [0,0,0,0,0,1|2,0,0]=3 159 B13R2.328 CC1=NC(=O)NC2=CC=CC=C21 4234AB [0,0,0,0,0,1|2,0,0]=3 160 B13R2.328 CC1=NC(C)=C2C=CC=CC2=N1 W7989 [0,0,0,0,0,1|1,0,0]=2 161 B13R2.328 CC1=NC(O)=C2C=NC=CC2=N1 1088AB [0,0,0,0,0,1|3,0,0]=4 162 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 0305AC [0,0,0,0,0,1|3,0,0]=4 163 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 6609AA [0,0,0,0,0,1|3,0,0]=4 164 B13R2.328 NC1=C2C=CC=CC2=NC(O)=N1 Z4805 [0,0,0,0,0,1|3,0,0]=4 165 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)O1 1973AL [0,0,0,0,0,1|2,0,0]=3 166 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 5894AB [0,0,0,0,0,1|3,0,0]=4 167 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 X8934 [0,0,0,0,0,1|3,0,0]=4 168 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 9672AH [0,0,0,0,0,1|3,0,0]=4 169 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 1752AA [0,0,0,0,0,1|3,0,0]=4 170 B13R2.328 NC1=NC(Br)=C2C=CC=CC2=C1 Y7393 [0,0,0,0,0,1|3,0,0]=4 171 B13R2.328 NC1=NC2=C(C=CC=C2)C(=O)N1 1492AJ [0,0,0,0,0,1|3,0,0]=4 172 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 0342AB [0,0,0,0,0,1|3,0,0]=4 173 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)S1 8603AA [0,0,0,0,0,1|2,1,0]=4 174 B13R2.328 O=C1OP(Cl)OC2=CC=CC=C12 Z3543 [0,0,0,0,0,1|3,0,0]=4 175 B13R2.328 OC1=C2C=CC=CC2=NC(Cl)=C1 W8379 [0,0,0,0,0,1|3,0,0]=4 176 B13R2.369 BrC1=C(I)C=C2C=CC=CC2=C1 7602AC [0,0,0,0,0,1|3,0,0]=4 177 B13R2.369 CC1=C(Br)C=C2C=CC=CC2=C1 V9329 [0,0,0,0,0,1|2,0,0]=3 178 B13R2.369 CC1=C(Br)N=C2C=CC=CC2=C1 Y8853 [0,0,0,0,0,1|2,0,0]=3 179 B13R2.369 CC1=C(N)C=C2C=CC=CC2=N1 W4438 [0,0,0,0,0,1|2,0,0]=3 180 B13R2.369 CC1=C(N)N=C2C=CC=CC2=C1 1634AC [0,0,0,0,0,1|2,0,0]=3 181 B13R2.369 CC1=C(O)C=C2C=CC=CC2=C1 8937AA [0,0,0,0,0,1|2,0,0]=3 182 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl 3650AB [0,0,0,0,0,1|2,0,0]=3 183 B13R2.369 CC1OC2=CC=CN=C2NC1=O V4202 [0,0,0,0,0,1|2,0,1]=4 184 B13R2.369 ClC1=C(I)C=C2C=CC=CC2=N1 X9732 [0,0,0,0,0,1|3,0,0]=4 185 B13R2.369 NC1=C(Br)C=C2C=CC=CC2=N1 Z4661 [0,0,0,0,0,1|3,0,0]=4 186 B13R2.369 NC1=C(Cl)N=C2C=CC=CC2=C1 5528AJ [0,0,0,0,0,1|3,0,0]=4 187 B13R2.369 NC1=C(Cl)N=C2C=CC=CC2=N1 Z2485 [0,0,0,0,0,1|3,0,0]=4 188 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br 6011AC [0,0,0,0,0,1|3,0,0]=4 189 B13R2.369 O=C1NC2=CC=CC=C2C=C1O 8747AD [0,0,0,0,0,1|3,0,0]=4 190 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 2378AL [0,0,0,0,0,1|2,0,0]=3 191 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [1,0,1,0,0,0|0,0,2]=4 192 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,0,1,0,0,0|1,0,1]=4 193 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [1,0,1,0,0,0|1,0,1]=4 194 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [1,0,1,0,0,0|2,0,0]=4 195 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [1,0,1,0,0,0|2,0,0]=4 196 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [1,0,1,0,0,0|2,0,0]=4 197 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [1,0,1,0,0,0|1,0,0]=3 198 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,0,1,0,0,0|0,0,2]=4 199 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,0,1,0,0,0|1,0,1]=4 200 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,0,1,0,0,0|1,0,1]=4 201 B10R1.4 CCOC1=CC=CC=C1N 8719AL [1,0,1,0,0,0|1,0,1]=4 202 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [1,0,1,0,0,0|2,0,0]=4 203 B10R1.20 CNC1=NC=CC=C1OC 2444AL [1,0,1,0,0,0|2,0,0]=4 204 B10R1.20 COC1=CC=NC=C1C=O O038 [1,0,1,0,0,0|2,0,0]=4 205 B10R1.20 COC1=CC=NC=C1OC 1881AA [1,0,1,0,0,0|2,0,0]=4 206 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [1,0,1,0,0,0|1,0,0]=3 207 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [1,0,1,0,0,0|1,0,1]=4 210 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,0,1,0,0,0|1,0,1]=4 211 B10R1.61 CN(C)C1=C(F)C=CC=C1 9536AF [1,0,1,0,0,0|2,0,0]=4 212 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [1,0,1,0,0,0|2,0,0]=4 213 B10R2.7 C1=CC2=C(C=C1)ON=C2 1484AL [2,0,0,0,0,0|1,0,0]=3 214 B10R2.7 C1=CC2=C(C=N1)SC=C2 W5029 [2,0,0,0,0,0|1,1,0]=4 215 B10R2.7 C1=CC2=CC=CN2C=C1 2610AB [2,0,0,0,0,0|2,0,0]=4 216 B10R2.7 C1=CC2=CON=C2C=C1 5069AL [2,0,0,0,0,0|2,0,0]=4 217 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [2,0,0,0,0,0|1,0,0]=3 218 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 W8302 [0,1,1,0,0,0|1,0,1]=4 219 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 2957AB [0,1,1,0,0,0|1,0,1]=4 220 B12R1.124 NC1=C(C(=O)C(=O)O)C=CC=C1 6619AB [0,1,1,0,0,0|2,0,0]=4 221 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 2424AC [0,1,1,0,0,0|2,0,0]=4 222 B12R1.225 CC(=O)C(=O)C1=CC(Cl)=CC=C1 8231AC [0,1,1,0,0,0|1,0,1]=4 223 B12R1.225 CC(=O)N(C)C1=CC=CC(N)=C1 6750AE [0,1,1,0,0,0|1,0,1]=4 224 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,1,1,0,0,0|1,0,1]=4 225 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,1,1,0,0,0|1,0,1]=4 226 B12R1.225 O=C(O)C(=O)C1=CC(Cl)=CC=C1 1737AL [0,1,1,0,0,0|2,0,0]=4 227 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 8261AB [0,1,1,0,0,0|1,0,1]=4 228 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Y9290 [0,1,1,0,0,0|1,0,1]=4 229 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,1,1,0,0,0|0,0,2]=4 230 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,1,1,0,0,0|1,0,1]=4 231 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,1,1,0,0,0|1,0,1]=4 232 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,1,1,0,0,0|1,0,1]=4 233 B12R1.50 CCC(C)OC1=CC(N)=CC=C1 7479AE [0,1,1,0,0,0|0,0,2]=4 234 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 S268 [0,1,1,0,0,0|2,0,0]=4 235 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [0,1,1,0,0,0|2,0,0]=4 236 B12R1.75 CC(=O)NC1=CC=CC=C1C=O 6256AA [0,1,1,0,0,0|2,0,0]=4 237 B12R1.75 CC(=O)OC1=C(C#N)C=CC=C1 5483AL [0,1,1,0,0,0|1,0,1]=4 238 B12R1.268 CCOC1=CC(Br)=CC=C1C=O Z7271 [0,1,1,0,0,0|1,0,1]=4 239 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 6518AE [0,1,1,0,0,0|0,0,2]=4 240 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 9071AC [0,1,1,0,0,0|0,0,2]=4 241 B12R1.1703 CCC(=O)C1=CC=C(Cl)C=C1O 8970AC [0,1,1,0,0,0|1,0,1]=4 242 B12R1.1703 C\C(=N/O)C1=C(O)C=C(O)C=C1 9189AB [0,1,1,0,0,0|2,0,0]=4 243 B12R1.3441 COC(=O)C1=C(O)C=CC=C1N 9834AB [0,1,1,0,0,0|2,0,0]=4 244 B12R1.3441 C\C(=N/O)C1=C(O)C=CC=C1O V4466 [0,1,1,0,0,0|2,0,0]=4 245 B12R2.1 BrCC1=CNC2=NC=CC=C12 2836AA [1,1,0,0,0,0|2,0,0]=4 246 B12R2.1 BrCC1=NOC2=C1C=CC=C2 X6921 [1,1,0,0,0,0|1,0,0]=3 247 B12R2.1 CCN1C=CC2=CC=CC=C21 1334AA [1,1,0,0,0,0|2,0,0]=4 248 B12R2.1 CCN1C=NC2=C1C=CC=C2 0903AC [1,1,0,0,0,0|2,0,0]=4 249 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 X3468 [1,1,0,0,0,0|1,1,0]=4 250 B12R2.1 N#CC1=CSC2=CC=CC=C12 Z3086 [1,1,0,0,0,0|0,1,1]=4 251 B12R2.1 NCC1=C2C=CC=CN2N=C1 4467AJ [1,1,0,0,0,0|2,0,0]=4 252 B12R2.1 NCC1=CSC2=C1C=CC=C2 5052AJ [1,1,0,0,0,0|0,1,0]=3 253 B12R2.1 NCC1=CSC2=CC=CC=C12 Y9464 [1,1,0,0,0,0|0,1,0]=3 254 B12R2.1 NCC1=NNC2=C1C=CC=C2 W8549 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.1 NCC1=NNC2=CC=CC=C21 4191AH [1,1,0,0,0,0|2,0,0]=4 256 B12R2.1 NCC1=NOC2=C1C=CC=C2 9598AH [1,1,0,0,0,0|1,0,0]=3 257 B12R2.1 O=CC1=COC2=C1C=CC=N2 1820AA [1,1,0,0,0,0|1,0,1]=4 258 B12R2.1 OCC1=C2C=CC=CN2N=C1 Y7181 [1,1,0,0,0,0|2,0,0]=4 259 B12R2.1 OCC1=CN=C2C=CC=CN12 Y8615 [1,1,0,0,0,0|2,0,0]=4 260 B12R2.1 OCC1=CNC2=C1C=CC=N2 1431AA [1,1,0,0,0,0|2,0,0]=4 261 B12R2.1 OCC1=COC2=CC=CC=C12 6401AB [1,1,0,0,0,0|0,0,0]=2 262 B12R2.1 OCN1C=NC2=CC=CC=C21 6590AD [1,1,0,0,0,0|2,0,0]=4 263 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [1,1,0,0,0,0|1,0,1]=4 264 B12R2.132 CC1=CC=C2SC=C(C)C2=C1 Z5484 [1,1,0,0,0,0|0,1,0]=3 265 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 X8526 [1,1,0,0,0,0|1,0,0]=3 266 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 1027AC [1,1,0,0,0,0|1,0,0]=3 267 B12R2.132 CC1=CNC2=C1C=C(O)C=C2 2188AA [1,1,0,0,0,0|1,0,0]=3 268 B12R2.132 CC1=NNC2=C1C=C(F)C=C2 Y5678 [1,1,0,0,0,0|2,0,0]=4 269 B12R2.132 CC1=NOC2=CC=C(Br)C=C21 V7166 [1,1,0,0,0,0|1,0,0]=3 270 B12R2.132 CN1C=CC2=CC=C(N)C=C21 6396AA [1,1,0,0,0,0|2,0,0]=4 271 B12R2.132 CN1C=NC2=CC=C(F)C=C21 Z7966 [1,1,0,0,0,0|2,0,0]=4 272 B12R2.132 CN1C=NC2=CC=C(N)C=C21 8779AD [1,1,0,0,0,0|2,0,0]=4 273 B12R2.132 ClC1=CC2=C(C=C1)NC=C2Br 3152AC [1,1,0,0,0,0|2,0,0]=4 274 B12R2.132 ClC1=NOC2=CC=C(Br)C=C21 SYNMC0814 [1,1,0,0,0,0|2,0,0]=4 275 B12R2.132 FC1=CC=C2ON=C(Cl)C2=C1 W3891 [1,1,0,0,0,0|2,0,0]=4 276 B12R2.132 NC1=NOC2=CC=C(Br)C=C21 SYNMC0813 [1,1,0,0,0,0|2,0,0]=4 277 B12R2.132 NC1=NOC2=CC=C(F)C=C21 5444AC [1,1,0,0,0,0|2,0,0]=4 278 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [1,1,0,0,0,0|2,0,0]=4 279 B12R2.132 O=C1NOC2=CC=C(F)C=C12 Z5428 [1,1,0,0,0,0|2,0,0]=4 280 B12R2.196 CC1=C2OCC(=O)C2=CC=C1 6493AJ [1,1,0,0,0,0|1,0,1]=4 281 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 3679AC [1,1,0,0,0,0|1,0,0]=3 282 B12R2.196 CC1=CSC2=C(Cl)C=CN=C12 6404AC [1,1,0,0,0,0|1,1,0]=4 283 B12R2.196 CC1=NNC2=C1C=CC=C2F 3706AJ [1,1,0,0,0,0|2,0,0]=4 284 B12R2.196 CC1=NNC2=C1C=CC=C2O X9041 [1,1,0,0,0,0|2,0,0]=4 285 B12R2.196 NC1=NOC2=C(F)C=CC=C12 2445AB [1,1,0,0,0,0|2,0,0]=4 286 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [1,1,0,0,0,0|1,0,1]=4 287 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [1,1,0,0,0,0|1,0,1]=4 288 B12R2.203 CC1=CN=C2C=CC=C(Br)N12 6678AB [1,1,0,0,0,0|2,0,0]=4 289 B12R2.203 CC1=CN=C2C=CC=C(N)N12 Y9978 [1,1,0,0,0,0|2,0,0]=4 290 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 8466AA [1,1,0,0,0,0|2,0,0]=4 291 B12R2.203 CC1=NNC2=CC=CC(F)=C21 0172AC [1,1,0,0,0,0|2,0,0]=4 292 B12R2.203 CC1=NNC2=CC=CC(O)=C21 4592AD [1,1,0,0,0,0|2,0,0]=4 293 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 Z8708 [1,1,0,0,0,0|2,0,0]=4 294 B12R2.203 ClC1=NC=CC2=C1C(Br)=CO2 W4563 [1,1,0,0,0,0|2,0,0]=4 295 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl 1897AB [1,1,0,0,0,0|2,0,0]=4 296 B12R2.203 NC1=C2C(Br)=COC2=CC=N1 2485AC [1,1,0,0,0,0|2,0,0]=4 297 B12R2.203 NC1=NOC2=CC=CC(Br)=C21 SYNMC0815 [1,1,0,0,0,0|2,0,0]=4 298 B12R2.203 NC1=NOC2=CC=CC(Br)=C21 W8510 [1,1,0,0,0,0|2,0,0]=4 299 B12R2.203 NC1=NOC2=CC=CC(F)=C21 V8924 [1,1,0,0,0,0|2,0,0]=4 300 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 3654AB [1,1,0,0,0,0|1,0,1]=4 301 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [1,1,0,0,0,0|1,0,1]=4 302 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [1,1,0,0,0,0|1,0,1]=4 303 B12R2.612 CC1=CCC2=C1C=CC(Br)=C2 Z8184 [1,1,0,0,0,0|1,0,0]=3 304 B12R2.612 CC1=NNC2=C1C=CC(O)=C2 W4256 [1,1,0,0,0,0|2,0,0]=4 305 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 V7165 [1,1,0,0,0,0|1,0,0]=3 306 B12R2.612 CN1C=CC2=CC(O)=CC=C21 6291AA [1,1,0,0,0,0|2,0,0]=4 307 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 4591AA [1,1,0,0,0,0|2,0,0]=4 308 B12R2.612 ClC1=NOC2=CC(Br)=CC=C21 SYNMC0812 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.612 FC1=CC=C2C(=C1)ON=C2Cl W5831 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.612 NC1=NOC2=CC(Cl)=CC=C21 V8834 [1,1,0,0,0,0|2,0,0]=4 311 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [1,1,0,0,0,0|1,0,0]=3 312 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 4245AB [1,1,0,0,0,0|1,0,0]=3 313 B12R2.32 CCC1=NC2=CC=CC=C2S1 3665AF [1,1,0,0,0,0|1,1,0]=4 314 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 6658AD [1,1,0,0,0,0|1,0,0]=3 315 B12R2.32 CNC1=NC2=CC=CC=C2S1 8693AA [1,1,0,0,0,0|1,1,0]=4 316 B12R2.32 CSC1=NC2=CC=CN=C2O1 W3685 [1,1,0,0,0,0|2,0,0]=4 317 B12R2.32 CSC1=NC2=CC=NC=C2O1 1815AL [1,1,0,0,0,0|2,0,0]=4 318 B12R2.32 ClCC1=CN2C=CC=CC2=N1 8554AB [1,1,0,0,0,0|2,0,0]=4 319 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 4573AB [1,1,0,0,0,0|1,0,1]=4 320 B12R2.32 N#CC1=NC2=CC=CC=C2O1 1502AL [1,1,0,0,0,0|1,0,1]=4 321 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 8311AH [1,1,0,0,0,0|0,1,0]=3 322 B12R2.32 NCC1=CC2=CC=CC=C2S1 W7515 [1,1,0,0,0,0|0,1,0]=3 323 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6791 [1,1,0,0,0,0|1,0,0]=3 324 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6959 [1,1,0,0,0,0|1,0,0]=3 325 B12R2.32 NCC1=NN2C=CC=CC2=C1 7662AH [1,1,0,0,0,0|2,0,0]=4 326 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [1,1,0,0,0,0|0,0,2]=4 327 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 Y8104 [1,1,0,0,0,0|1,0,1]=4 328 B12R2.32 O=CC1=NC2=CC=CC=C2O1 9461AB [1,1,0,0,0,0|1,0,1]=4 329 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 1571AL [1,1,0,0,0,0|0,0,0]=2 330 B12R2.32 OCC1=CC2=CC=NC=C2N1 8332AH [1,1,0,0,0,0|2,0,0]=4 331 B12R2.32 SCC1=NC2=CC=CC=C2N1 X5686 [1,1,0,0,0,0|2,0,0]=4 332 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 X8562 [1,1,0,0,0,0|2,0,0]=4 333 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 W7210 [1,1,0,0,0,0|1,1,0]=4 334 B12R2.202 CC1=CC2=C(C=CNC2=O)O1 8850AD [1,1,0,0,0,0|1,0,0]=3 335 B12R2.202 CC1=CC2=C(N1)C(Br)=CC=C2 0325AQ [1,1,0,0,0,0|1,0,0]=3 336 B12R2.202 CC1=CC2=C(N1)C(C)=CC=C2 Z1704 [1,1,0,0,0,0|1,0,0]=3 337 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 8731AD [1,1,0,0,0,0|0,0,0]=2 338 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B859 [1,1,0,0,0,0|2,0,0]=4 339 B12R2.202 CC1=NC2=C(Br)C=CC=C2O1 V4387 [1,1,0,0,0,0|1,0,0]=3 340 B12R2.202 CC1=NC2=C(C)C=CC=C2O1 5342AJ [1,1,0,0,0,0|1,0,0]=3 341 B12R2.202 CC1=NC2=C(O1)C(Br)=CN=C2 Z3919 [1,1,0,0,0,0|2,0,0]=4 342 B12R2.202 CN1C=C2C(Cl)=CC=CC2=N1 Y5774 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.202 CN1C=C2C(F)=CC=CC2=N1 Y5236 [1,1,0,0,0,0|2,0,0]=4 344 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 3760AC [1,1,0,0,0,0|2,0,0]=4 345 B12R2.202 O=C1NC=CC2=C1C=C(Br)O2 1614AJ [1,1,0,0,0,0|2,0,0]=4 346 B12R2.606 BrC1=CC2=C(C=C1)SC(I)=C2 V9789 [1,1,0,0,0,0|1,1,0]=4 347 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 Y9616 [1,1,0,0,0,0|1,0,0]=3 348 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 8094AD [1,1,0,0,0,0|0,0,0]=2 349 B12R2.606 CC1=CC2=C(N=CC(Cl)=C2)N1 3184AJ [1,1,0,0,0,0|2,0,0]=4 350 B12R2.606 CC1=CC2=C(N=CC(F)=C2)N1 7220AA [1,1,0,0,0,0|2,0,0]=4 351 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 5410AB [1,1,0,0,0,0|1,0,0]=3 352 B12R2.606 CC1=CC2=CC=C(O)C=C2O1 7905AB [1,1,0,0,0,0|0,0,0]=2 353 B12R2.606 CC1=CC2=NC(C)=CN2C=C1 1938AL [1,1,0,0,0,0|2,0,0]=4 354 B12R2.606 CC1=CC=C2C=C(C)NC2=N1 4795AA [1,1,0,0,0,0|2,0,0]=4 355 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 7799AD [1,1,0,0,0,0|2,0,0]=4 356 B12R2.606 CC1=CC=C2OC(Cl)=NC2=C1 Y8920 [1,1,0,0,0,0|2,0,0]=4 357 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 5711AB [1,1,0,0,0,0|1,1,0]=4 358 B12R2.606 CC1=NC2=C(C=CC(F)=C2)S1 5280AB [1,1,0,0,0,0|1,1,0]=4 359 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 8162AE [1,1,0,0,0,0|1,1,0]=4 360 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 2649AA [1,1,0,0,0,0|2,0,0]=4 361 B12R2.606 CN1C=C2C=C(F)C=CC2=N1 Y5235 [1,1,0,0,0,0|2,0,0]=4 362 B12R2.606 CN1C=C2C=CC(I)=CC2=N1 Y7256 [1,1,0,0,0,0|2,0,0]=4 363 B12R2.606 FC1=CC2=C(C=C1)NC(=S)O2 Y2874 [1,1,0,0,0,0|2,0,0]=4 364 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 6353AA [1,1,0,0,0,0|2,0,0]=4 365 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 1748AA [1,1,0,0,0,0|2,0,0]=4 366 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 3455AA [1,1,0,0,0,0|2,0,0]=4 367 B12R2.606 O=C1CC2=CC=C(O)C=C2O1 W1997 [1,1,0,0,0,0|1,0,1]=4 368 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 6712AD [1,1,0,0,0,0|2,0,0]=4 369 B12R2.606 O=C1NC2=C(C=C(O)C=C2)O1 5997AH [1,1,0,0,0,0|2,0,0]=4 370 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 2094AC [1,1,0,0,0,0|2,0,0]=4 371 B12R2.606 S=C1NC2=CC=C(Br)C=C2O1 W4787 [1,1,0,0,0,0|2,0,0]=4 372 B14R2.92 OCC1=C(Cl)C2=C(C=CC=C2)CC1 3474AD [0,1,0,0,0,1|2,0,0]=4 373 B14R2.203 CC1=CC=C2C=CC=CC2=C1CCl 5961AF [0,1,0,0,0,1|1,0,0]=3 374 B14R2.8038 CC1=C(C)C2=C(C=C1)C(Cl)=CC=N2 2787AJ [0,1,0,0,0,1|2,0,0]=4 375 B14R2.8038 CC1=CC=C2C(N)=CC=NC2=C1C 2641AJ [0,1,0,0,0,1|2,0,0]=4 376 B14R2.8188 CC1=C(Br)C(=O)NC2=CC=CC=C21 1973AE [0,1,0,0,0,1|2,0,0]=4 377 B14R2.8188 CC1=C(Cl)C(=O)NC2=C1C=CC=C2 6864AB [0,1,0,0,0,1|2,0,0]=4 378 B14R2.8188 CC1=C(F)C(=O)NC2=C1C=CC=C2 0218AB [0,1,0,0,0,1|2,0,0]=4 379 B14R2.28523 CN1C(=O)COC2=C1C(N)=CC=C2 3765AD [0,1,0,0,0,1|2,0,0]=4 380 B14R2.29369 CN1C(=O)COC2=CC(Br)=CC=C21 Z9035 [0,1,0,0,0,1|2,0,0]=4 381 B14R2.1019 CC1=CC(C#N)=NC2=CC=CC=C12 1311AA [0,1,0,0,0,1|1,0,1]=4 382 B14R2.1019 CSC1=NC2=CC=CC=C2C(Cl)=N1 2753AJ [0,1,0,0,0,1|2,0,0]=4 383 B14R2.1019 NCC1=NC(=O)C2=CC=CC=C2N1 3578AE [0,1,0,0,0,1|2,0,0]=4 384 B14R2.1146 CC1=NC2=CC=CC=C2C(CBr)=C1 3558AC [0,1,0,0,0,1|1,0,0]=3 385 B14R2.1146 CC1=NC2=CC=CC=C2C(CCl)=C1 2877AB [0,1,0,0,0,1|1,0,0]=3 386 B14R2.1146 CC1=NC2=CC=CC=C2C(NN)=C1 6724AB [0,1,0,0,0,1|2,0,0]=4 387 B14R2.1146 COC1=C2C=CC=CC2=NC(Cl)=N1 1653AJ [0,1,0,0,0,1|2,0,0]=4 388 B14R2.1146 COC1=CC(Cl)=NC2=CC=CC=C21 1654AJ [0,1,0,0,0,1|2,0,0]=4 389 B14R2.8045 CC1=CC(=O)NC2=C(C)C=CC=C12 5115AE [0,1,0,0,0,1|2,0,0]=4 390 B14R2.8045 CC1=CC(=O)NC2=C1C=CC=C2F V6409 [0,1,0,0,0,1|2,0,0]=4 391 B14R2.8045 CC1=CC(Cl)=C2C=CC=C(Br)C2=N1 3480AA [0,1,0,0,0,1|2,0,0]=4 392 B14R2.8045 CC1=CC(Cl)=C2C=CC=C(O)C2=N1 V2401 [0,1,0,0,0,1|2,0,0]=4 393 B14R2.8045 CC1=CC2=C(Cl)C=CN=C2C(C)=C1 0140AB [0,1,0,0,0,1|2,0,0]=4 394 B14R2.8045 CC1=CC2=C(N)C=CN=C2C(C)=C1 X3329 [0,1,0,0,0,1|2,0,0]=4 395 B14R2.8045 CC1=CC2=C(N=CC=C2C)C(C)=C1 6350AL [0,1,0,0,0,1|2,0,0]=4 396 B14R2.8235 CC1=CC(=O)C2=C(C=CC(Br)=C2)O1 0918AQ [0,1,0,0,0,1|1,0,0]=3 397 B14R2.8235 CC1=CC(=O)NC2=C1C=C(Cl)C=C2 W4918 [0,1,0,0,0,1|2,0,0]=4 398 B14R2.8235 CC1=CC(=O)NC2=C1C=C(N)C=C2 2848AF [0,1,0,0,0,1|2,0,0]=4 399 B14R2.8235 CC1=CC(Br)=C2C=C(F)C=CC2=N1 Z6919 [0,1,0,0,0,1|2,0,0]=4 400 B14R2.8235 CC1=CC(Cl)=C2C=C(Br)C=CC2=N1 V6456 [0,1,0,0,0,1|2,0,0]=4 401 B14R2.8235 CC1=CC(O)=C2C=C(N)C=CC2=N1 8998AC [0,1,0,0,0,1|2,0,0]=4 402 B14R2.8235 CC1=CC2=C(C)C=C(O)N=C2C=C1 2588AJ [0,1,0,0,0,1|2,0,0]=4 403 B14R2.8235 CC1=NC(=O)C2=C(C=CC(F)=C2)N1 0073AB [0,1,0,0,0,1|2,0,0]=4 404 B14R2.8235 CC1=NC(Cl)=C2C=C(F)C=CC2=N1 1010AA [0,1,0,0,0,1|2,0,0]=4 405 B14R2.8235 CC1=NC2=C(C=C(O)C=C2)C(=O)N1 V4003 [0,1,0,0,0,1|2,0,0]=4 406 B14R2.28480 CC1=CC2=C(C(C)=C1)C(Cl)=CC=N2 2772AJ [0,1,0,0,0,1|2,0,0]=4 407 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(Br)=C2 2330AF [0,1,0,0,0,1|2,0,0]=4 408 B14R2.29365 CC1=CC(O)=C2C=CC(F)=CC2=N1 W4009 [0,1,0,0,0,1|2,0,0]=4 409 B14R2.29365 CC1=CC2=C(C=CC(Br)=C2)C(=O)N1 3458AJ [0,1,0,0,0,1|2,0,0]=4 410 B14R2.29365 CC1=NC(=O)C2=C(C=C(Cl)C=C2)N1 0866AC [0,1,0,0,0,1|2,0,0]=4 411 B14R2.29365 CC1=NC(=O)C2=C(C=C(F)C=C2)N1 0072AB [0,1,0,0,0,1|2,0,0]=4 412 B14R2.29365 CC1=NC2=CC(Cl)=CC=C2C(Cl)=N1 4913AB [0,1,0,0,0,1|2,0,0]=4 413 B14R2.29365 CC1=NC2=CC(F)=CC=C2C(Cl)=N1 3583AA [0,1,0,0,0,1|2,0,0]=4 414 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 1316AJ [0,1,0,0,0,1|1,0,1]=4 415 B14R2.29496 CC1(C)N=C(Cl)C2=CC=CC=C2O1 Z3581 [0,1,0,0,0,1|1,0,1]=4 416 B14R2.29496 CC1=NC(C)(C)CC2=C1C=CC=C2 4477AL [0,1,0,0,0,1|1,0,1]=4 417 B14R2.1128 CCC1=CC2=C(C=CC=C2)N=C1Cl 7933AE [0,1,0,0,0,1|2,0,0]=4 418 B14R2.1128 COC1=C(C)C=C2C=CC=CC2=C1 V6919 [0,1,0,0,0,1|1,0,0]=3 419 B14R2.1128 NC1=C(CO)C=C2C=CC=CC2=C1 V3090 [0,1,0,0,0,1|2,0,0]=4 420 B14R2.8239 CC1=CC=C2NC(=O)C(C)OC2=C1 Z7513 [0,1,0,0,0,1|1,0,1]=4 421 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)N=C1C 6196AD [0,1,0,0,0,1|1,0,0]=3 422 B14R2.8239 CC1OC2=C(C=C(N)C=C2)NC1=O 8258AC [0,1,0,0,0,1|1,0,1]=4 423 B14R2.8239 CC1OC2=CC=C(F)C=C2NC1=O V9182 [0,1,0,0,0,1|1,0,1]=4 424 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O W8495 [0,1,0,0,0,1|2,0,0]=4 425 B14R2.28472 CC1=CC2=C(C=C1C)C(C)=CC=C2 6112AF [0,1,0,0,0,1|1,0,0]=3 426 B14R2.28472 CC1=CC2=NC=CC(Br)=C2C=C1C 2714AJ [0,1,0,0,0,1|2,0,0]=4 427 B14R2.44 CN1C2=CC=CC=C2N=C1CC#N 2588AB [0,2,0,0,0,0|2,0,0]=4 428 B14R2.44 CN1C2=CC=CC=C2N=C1CCN 6206AD [0,2,0,0,0,0|2,0,0]=4 429 B14R2.44 CNCC1=CC2=C(C=CC=C2)N1C 1263AE [0,2,0,0,0,0|2,0,0]=4 430 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2S1 6310AD [0,2,0,0,0,0|0,1,0]=3 431 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 8267AC [0,2,0,0,0,0|1,0,1]=4 432 B14R2.1060 CC1=C(CO)NC2=CC=C(Cl)C=C21 9565AE [0,2,0,0,0,0|1,0,0]=3 433 B14R2.1060 CC1=CC=C2NC(C=O)=C(C)C2=C1 4458AD [0,2,0,0,0,0|1,0,1]=4 434 B14R2.1060 CC1=CC=C2OC(C=O)=C(C)C2=C1 5407AD [0,2,0,0,0,0|0,0,1]=3 435 B14R2.1095 CC1=CC=C2C(=C1)OC(C=O)=C2C 5409AD [0,2,0,0,0,0|0,0,1]=3 436 B14R2.1095 CCC1=NC2=C(C=CC(N)=C2)N1C 0204AE [0,2,0,0,0,0|2,0,0]=4 437 B14R2.1129 CCC1=C(C#N)C2=C(C=CC=C2)O1 5926AB [0,2,0,0,0,0|0,0,1]=3 438 B14R2.1129 CCC1=C(C=O)C2=CC=CC=C2O1 0157AA [0,2,0,0,0,0|0,0,1]=3 439 B14R2.1129 CCN1C(CO)=NC2=C1C=CC=C2 7226AD [0,2,0,0,0,0|2,0,0]=4 440 B14R2.2151 CCC1=C(C)C2=C(O1)C(N)=CC=C2 5625AD [0,2,0,0,0,0|0,0,0]=2 441 B14R2.517 C#CCN1C(C)=NC2=C1C=CC=C2 5798AB [0,2,0,0,0,0|2,0,0]=4 442 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 Z5204 [0,2,0,0,0,0|1,0,0]=3 443 B14R2.517 CC1=C(CCN)C2=CC=CC=C2N1 2757AB [0,2,0,0,0,0|1,0,0]=3 444 B14R2.517 CC1=CC2=C(C=CC=C2)N1CCN Y4469 [0,2,0,0,0,0|2,0,0]=4 445 B14R2.517 CC1=NC2=CC=CC=C2N1CCN V6924 [0,2,0,0,0,0|2,0,0]=4 446 B14R2.517 CNCC1=C(C)N=C2C=CC=CN21 0849AF [0,2,0,0,0,0|2,0,0]=4 447 B14R2.517 O=CCN1C(=O)OC2=CC=CC=C21 4215AH [0,2,0,0,0,0|2,0,0]=4 448 B14R2.642 CC(=O)C1=C(C)NC2=C1C=CC=C2 5855AF [0,2,0,0,0,0|1,0,0]=3 449 B14R2.642 CC(=O)N1C(=O)OC2=CC=CC=C21 L468 [0,2,0,0,0,0|2,0,0]=4 450 B14R2.642 CC1=C(C(N)=O)C2=CC=CC=C2N1 5735AL [0,2,0,0,0,0|1,0,1]=4 451 B14R2.4217 CCN1C(C)=NC2=C1C=CC(F)=C2 8508AE [0,2,0,0,0,0|2,0,0]=4 452 B14R2.4217 CCN1C(C)=NC2=C1C=CC(N)=C2 7130AD [0,2,0,0,0,0|2,0,0]=4 453 B14R2.4217 CCN1C(C)=NC2=C1C=CC(N)=C2 9002AE [0,2,0,0,0,0|2,0,0]=4 454 B14R2.19008 CC1=C(C=O)C2=CC(Cl)=CC=C2N1 5872AE [0,2,0,0,0,0|1,0,1]=4 455 B14R2.19306 CN1C(Cl)=C(CN)C2=C1C=CC=C2 8026AC [0,2,0,0,0,0|2,0,0]=4 456 B14R2.4507 CC1=NC2=C(C=C(Br)C=C2)C1(C)C 4891AH [0,2,0,0,0,0|1,0,1]=4 457 B14R2.8716 CC1=C(C)N(C)C2=C1C=C(N)C=C2 4338AD [0,2,0,0,0,0|1,0,0]=3 458 B14R2.1815 CC1=NC2=C(C=CC(C=O)=C2)N1C 6323AB [0,2,0,0,0,0|2,0,0]=4 459 B12R2.41 C1=CC=C2OCCCNC2=C1 9283AJ [0,0,1,1,0,0|1,0,1]=4 460 B14R3.49 C1=CC=C2C(=C1)N=C3NCCN23 5696AB [0,1,0,1,0,0|2,0,0]=4 461 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,0,1,0,0,1|0,0,2]=4 462 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,0,1,0,0,1|1,0,0]=3 463 B12R2.1041 NC1=CC2=CC=CC=CC2=C1 6942AB [1,0,0,0,0,1|2,0,0]=4 464 B12R2.246 CC1=CC2=C(C=CN2)C(C)=C1 1804AC [0,0,0,0,1,1|2,0,0]=4