0 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(C)C1=NN=CO1 7440AA [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 CC(N)C1=NNC=C1 Y5743 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(O)C1=CC=CS1 2224AC [0,0,0,0,0,0|1,0,2]=3 4 B8R1.7 ClC(Cl)C1=NC=CO1 1688AJ [0,0,0,0,0,0|2,1,1]=4 5 B8R1.7 N=C(N)C1=NC=CS1 W4425 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 O=C(O)C1=NN=CO1 6208AC [0,0,0,0,0,0|2,1,0]=3 7 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,0,0,0,0,0|3,1,0]=4 8 B8R1.7 OB(O)C1=NC=CO1 4717AC [0,0,0,0,0,0|2,1,1]=4 9 B8R1.7 OB(O)C1=NC=CS1 Y8965 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.1 BrCC1=NC=CS1 Y7403 [1,0,0,0,0,0|1,0,1]=3 11 B7R1.1 C#CC1=NC=CS1 Y5907 [1,0,0,0,0,0|0,0,2]=3 12 B7R1.1 C=CC1=NC=CN1 5965AB [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 COC1=NSC=C1 Z1859 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CSC1=NCCS1 X2628 [1,0,0,0,0,0|1,0,2]=4 17 B7R1.1 ClCC1=NC=CN1 5437AB [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 NCC1=NC=CO1 4279AC [1,0,0,0,0,0|1,1,1]=4 19 B7R1.1 NNC1=NC=CN1 8325AH [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 O=CC1=CC=NO1 8334AA [1,0,0,0,0,0|2,1,0]=4 21 B9R1.11 CCC(N)C1=CC=CS1 7066AE [0,1,0,0,0,0|2,0,1]=4 22 B9R1.11 COC(=O)C1=NCCC1 8402AB [0,1,0,0,0,0|1,0,2]=4 23 B9R1.11 COC(=O)C1CSC=N1 B236 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,1,0,0,0,0|1,1,1]=4 25 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,1,0,0,0,0|1,1,1]=4 26 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,1,0,0,0,0|1,0,1]=3 27 B9R1.11 NCC(O)C1=CC=CS1 9385AJ [0,1,0,0,0,0|1,0,2]=4 28 B9R1.11 NNC(=O)C1=NC=CO1 7606AH [0,1,0,0,0,0|1,1,0]=3 29 B9R1.19 CS(=N)(=O)C1=NC=CS1 9063AJ [0,1,0,0,0,0|1,0,0]=2 30 B9R1.19 O=S(=O)(Cl)C1=NC=CS1 Z3441 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,1,0,0,0,0|0,0,0]=1 32 B9R1.35 CC1=CN=C(B(O)O)S1 3255AA [0,1,0,0,0,0|2,0,1]=4 33 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,1,0,0,0,0|1,1,0]=3 34 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 CC1=NN=C(C(N)=O)O1 X5146 [0,1,0,0,0,0|2,1,0]=4 36 B9R1.35 NC(=O)C1=NC=C(Br)S1 6538AC [0,1,0,0,0,0|1,0,0]=2 37 B9R1.35 NC1=NN=C(C(=O)O)O1 4279AE [0,1,0,0,0,0|2,1,0]=4 38 B9R1.35 O=C([S-])C1=NN=C(S)S1 P307 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,1,0,0,0,0|1,0,0]=2 40 B9R1.41 CN1C=CN=C1C(=N)N 9909AH [0,1,0,0,0,0|3,0,0]=4 41 B7R0.4 C\C=C\COC(C)=O 7476AF [0,0,1,0,0,0|3,0,0]=4 42 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [0,0,0,0,0,1|2,0,0]=3 44 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,0,0,0,0,1|1,0,2]=4 45 B9R1.6 CC(C)C1=NC=CN=C1 R572 [0,0,0,0,0,1|2,0,1]=4 46 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [0,0,0,0,0,1|3,0,0]=4 47 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [0,0,0,0,0,1|2,0,0]=3 48 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [0,0,0,0,0,1|2,0,0]=3 49 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [0,0,0,0,0,1|2,0,0]=3 50 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [0,0,0,0,0,1|3,0,0]=4 54 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 7667AH [0,0,0,0,0,1|3,0,0]=4 55 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,0,0,0,0,1|2,0,1]=4 56 B6R0.4 CC\C=C\C(C)=O Y8265 [1,0,1,0,0,0|1,0,1]=4 57 B6R1.2 CC1=NSC=C1 0717AC [2,0,0,0,0,0|2,0,0]=4 58 B6R1.2 NC1=CC=CS1 9765AB [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 O=C1CC=CN1 2602AB [2,0,0,0,0,0|1,0,1]=4 60 B6R1.2 OC1=CC=CS1 X5173 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.6 C\C=C\C=C\C(=O)OC 8249AL [0,1,1,0,0,0|2,0,0]=4 62 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.1 O=CC1=COC(Br)=N1 1801AA [1,1,0,0,0,0|2,0,0]=4 64 B8R1.8 CNCC1=NC=CN1 4098AE [1,1,0,0,0,0|1,0,1]=4 65 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,1,0,0,0,1|2,0,0]=4 66 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [0,1,0,0,0,1|2,0,0]=4 67 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [0,1,0,0,0,1|1,0,0]=3 68 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [0,1,0,0,0,1|2,0,0]=4 69 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [0,1,0,0,0,1|2,0,0]=4 70 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.15 NNC(=O)C1=NN=CC=C1 4805AC [0,1,0,0,0,1|2,0,0]=4 72 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [0,1,0,0,0,1|1,0,0]=3 73 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [0,1,0,0,0,1|2,0,0]=4 75 B10R1.113 NC(=O)C1=NC(F)=CN=C1 1523AE [0,1,0,0,0,1|2,0,0]=4 76 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 1978AC [0,1,0,0,0,1|2,0,0]=4 77 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [0,1,0,0,0,1|2,0,0]=4 78 B10R1.23 NC(C(=O)O)C1=CC=CS1 Y1430 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.54 CC(=O)NC1=NOC(C)=C1 5950AA [0,1,0,0,0,1|2,0,0]=4 80 B10R1.11 N#CCC(=O)C1=NC=CS1 9964AD [0,2,0,0,0,0|0,0,0]=2 81 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,2,0,0,0,0|1,0,0]=3 82 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,2,0,0,0,0|1,1,0]=4 83 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,2,0,0,0,0|0,0,0]=2 84 B10R1.31 CC(C)C1=NC(CN)=CS1 5178AA [0,2,0,0,0,0|1,0,1]=4 85 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,2,0,0,0,0|0,0,0]=2 86 B10R1.58 CC1=C(C)OC(C(=O)O)=N1 2578AJ [0,2,0,0,0,0|1,1,0]=4 87 B10R2.2 O=C1CC2=C(C1)NC=C2 9935AD [0,0,0,1,0,1|1,0,1]=4 88 B8R1.2 O=CC1=CC=NC=C1 7668AH [1,0,0,0,0,1|2,0,0]=4 89 B8R1.2 O=CC1=NN=CC=N1 9261AH [1,0,0,0,0,1|1,0,0]=3 90 B10R1.18 CC(=O)CC1=NC=CC=N1 1768AC [0,0,0,0,0,2|1,0,0]=3