0 B12R2.18 BrC1=C(Br)C2=CC=CC=C2O1 Z2437 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CC1=C(Cl)NC2=NC=CC=C21 Y5285 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,0,0,0,0,0|2,1,0]=3 3 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 O[C@@H]1CC2=C(C=CC=C2)[C@H]1O Y9791 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [1,0,0,0,0,0|2,0,1]=4 7 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [1,0,0,0,0,0|2,0,0]=3 8 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [1,0,0,0,0,0|2,0,0]=3 9 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 CC1=CC2=C(C=CN=C2)N1 X9076 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.10 CC1=NC2=C(C=NC=C2)N1 1790AJ [1,0,0,0,0,0|2,0,1]=4 13 B11R2.10 CC1=NC2=CC=CC=C2[Se]1 E607 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.10 FC1=NC2=CC=CC=C2N1 Z6062 [1,0,0,0,0,0|1,0,1]=3 15 B11R2.10 NC1=CC2=C(C=CC=C2)O1 6755AA [1,0,0,0,0,0|3,0,0]=4 16 B11R2.10 [S-]C1=NC2=CC=CC=C2N1 V1484 [1,0,0,0,0,0|0,1,1]=3 17 B13R2.45 N#CC1=C(Cl)C2=CC=CC=C2N1 9166AE [0,1,0,0,0,0|3,0,0]=4 18 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 2228AJ [0,1,0,0,0,0|3,0,0]=4 19 B13R2.135 CC1=NC2=C(C=CC=C2)N1CF 3615AA [0,1,0,0,0,0|2,0,1]=4 20 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 2335AL [0,1,0,0,0,0|2,0,0]=3 21 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 2336AL [0,1,0,0,0,0|2,0,0]=3 22 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 8186AA [0,1,0,0,0,0|2,0,0]=3 23 B13R2.4825 CC1=C(C)C2=C(N1)C(N)=CC=C2 0484AA [0,1,0,0,0,0|3,0,0]=4 24 B13R2.4825 CC1=CC=CC2=C1NC(C)=C2C E588 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.5190 CC1=NC2=C(C=CC(Cl)=C2)N1C 2471AB [0,1,0,0,0,0|2,0,1]=4 26 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,0,1,0,0,0|2,0,0]=3 28 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [0,0,1,0,0,0|2,0,1]=4 29 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 4164AE [0,0,0,0,0,1|2,1,0]=4 30 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 8125AJ [0,0,0,0,0,1|3,0,0]=4 31 B13R2.369 O=C1OC2=CC=CC=C2N=C1Cl 2593AB [0,0,0,0,0,1|3,0,0]=4 32 B10R1.18 NC(N)=NC1=CC=CC=C1 Y8090 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.20 CSC1=CC=CC=C1C=O I066 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [1,0,1,0,0,0|2,0,0]=4 35 B10R2.7 C1=CC=C2NCNC2=C1 6469AB [2,0,0,0,0,0|0,0,1]=3 36 B10R2.7 C1=CN=C2NC=CC2=C1 7845AF [2,0,0,0,0,0|2,0,0]=4 37 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 5973AA [0,1,1,0,0,0|2,0,0]=4 38 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 4295AE [0,1,1,0,0,0|2,0,0]=4 39 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 3965AL [0,1,1,0,0,0|2,0,0]=4 40 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 H642 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.478 CCN(C(C)=O)C1=CC=CC=C1 5694AF [0,1,1,0,0,0|2,0,0]=4 42 B12R1.478 O=C(Cl)N(CCl)C1=CC=CC=C1 S862 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.32 CCNC(=S)NC1=CC=CC=C1 8961AD [0,1,1,0,0,0|1,1,0]=4 44 B12R1.49 N=C(NO)NC1=CC=C(F)C=C1 1888AH [0,1,1,0,0,0|1,0,0]=3 45 B12R1.49 NNC(=S)NC1=CC=C(F)C=C1 C149 [0,1,1,0,0,0|1,1,0]=4 46 B12R1.371 NNC(=S)NC1=C(Cl)C=CC=C1 3053AE [0,1,1,0,0,0|1,1,0]=4 47 B12R2.1 NCC1=CNC2=C1C=CC=C2 W4590 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [1,1,0,0,0,0|1,0,0]=3 49 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.196 NC1=C2NC=C(Br)C2=CC=C1 2179AJ [1,1,0,0,0,0|2,0,0]=4 51 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 2959AA [1,1,0,0,0,0|2,0,0]=4 52 B12R2.612 FC1=CC2=C(C=C1)C(Br)=CN2 1860AA [1,1,0,0,0,0|2,0,0]=4 53 B12R2.606 ClC1=NC2=CC(Br)=CC=C2N1 V7275 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.8188 O=C1C(O)OC2=CC=CC=C2N1O 0078AP [0,1,0,0,0,1|1,0,0]=3 55 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Cl 9463AJ [0,1,0,0,0,1|2,0,0]=4 56 B14R2.28523 CN1C(=O)C=CC2=CC=CC(Br)=C21 3760AJ [0,1,0,0,0,1|2,0,0]=4 57 B14R2.8235 CC1NC(=O)NC2=CC=C(Br)C=C21 3464AJ [0,1,0,0,0,1|2,0,0]=4 58 B14R2.4175 N#CC1=C2C=CC=CC=C2NC1=O Y6057 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.1129 COC1=C(OC)C2=C(C=CC=C2)N1 4907AH [0,2,0,0,0,0|1,0,1]=4 60 B14R2.517 O=C1NC2=CC=CC=C2N1CCO 7134AE [0,2,0,0,0,0|0,0,0]=2 61 B14R2.517 O=C1OC2=CC=CC=C2N1CCBr 2538AB [0,2,0,0,0,0|2,0,0]=4 62 B14R2.19008 NCC1C(=O)NC2=C1C=C(F)C=C2 7255AB [0,2,0,0,0,0|2,0,0]=4 63 B14R2.8737 CC1=C(F)C2=C(C=C1)C(=O)C(=O)N2 Y4004 [0,2,0,0,0,0|1,0,1]=4 64 B12R2.1041 O=C1C=C2C=CC=CC=C2N1 Y6126 [1,0,0,0,0,1|1,0,0]=3