0 B8R1.8 CNCC1=CC=CO1 6487AB [0,0,0,0,0,0|3,1,0]=4 1 B8R1.8 CNCC1=NC=CN1 4098AE [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 ClCCC1=CNC=N1 6287AA [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 NCCC1=NNC=C1 1009AJ [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 BrCC1=CSC=N1 Y9346 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.1 BrCC1=NC=CS1 Y7403 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.1 C#CC1=NC=CS1 Y5907 [1,0,0,0,0,0|0,0,2]=3 7 B7R1.1 C=CC1=NC=CN1 5965AB [1,0,0,0,0,0|1,0,2]=4 8 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.1 COC1=COC=C1 W1886 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 COC1=NSC=C1 Z1859 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 CSC1=NCCS1 X2628 [1,0,0,0,0,0|0,1,2]=4 13 B7R1.1 ClCC1=CC=CO1 Z5545 [1,0,0,0,0,0|2,1,0]=4 14 B7R1.1 ClCC1=CSC=N1 9485AJ [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 ClCC1=NC=CN1 5437AB [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 NCC1=NC=CO1 4279AC [1,0,0,0,0,0|1,1,0]=3 17 B7R1.1 NCC1=NN=CO1 1119AC [1,0,0,0,0,0|2,1,0]=4 18 B7R1.1 NCC1=NOC=N1 1943AC [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 NNC1=NC=CN1 8325AH [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 OCC1=CSC=N1 Y7005 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 OCC1=NNC=N1 8322AH [1,0,0,0,0,0|3,0,0]=4 22 B9R1.7 CCOC1=NC=C(Br)S1 Y6999 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.7 NCCC1=CC=C(Br)S1 4915AB [0,1,0,0,0,0|3,0,0]=4 24 B9R1.7 NCCC1=CC=C(Cl)S1 1212AJ [0,1,0,0,0,0|3,0,0]=4 25 B9R1.11 CCC(N)C1=CC=CS1 7066AE [0,1,0,0,0,0|2,0,0]=3 26 B9R1.11 NCC(O)C1=CC=CS1 9385AJ [0,1,0,0,0,0|3,0,0]=4 27 B9R1.13 CC(N)CC1=CC=CN1 9883AH [0,1,0,0,0,0|2,0,1]=4 28 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,1,0,0,0,0|2,0,0]=3 29 B9R1.13 CC(N)CC1=CNC=N1 1005AJ [0,1,0,0,0,0|3,0,0]=4 30 B9R1.13 C[C@@H](N)CC1=CNC=N1 4491AJ [0,1,0,0,0,0|3,0,0]=4 31 B9R1.13 C[C@H](N)CC1=CNC=N1 8564AH [0,1,0,0,0,0|3,0,0]=4 32 B7R0.7 CCOC(=O)N=C=O X3467 [0,0,1,0,0,0|1,1,1]=4 33 B9R1.8 CCCC1=CN=CC=C1 6392AB [0,0,0,0,0,1|2,0,0]=3 34 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [0,0,0,0,0,1|2,0,1]=4 35 B6R1.2 CC1=NSC=C1 0717AC [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 NC1=CC=CS1 9765AB [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 OC1=CC=CS1 X5173 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.1 CCC1=CNC(N)=N1 2805AJ [1,1,0,0,0,0|2,0,0]=4 39 B8R1.1 CCC1=NN=C(O)O1 1883AE [1,1,0,0,0,0|1,1,0]=4 40 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [1,1,0,0,0,0|1,1,0]=4 41 B8R1.7 CC(C)C1=NN=CO1 7440AA [1,1,0,0,0,0|1,1,0]=4 42 B8R1.7 CC(N)C1=NNC=C1 Y5743 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.7 CC(O)C1=CC=CS1 2224AC [1,1,0,0,0,0|1,0,0]=3 44 B8R1.7 ClC(Cl)C1=NC=CO1 1688AJ [1,1,0,0,0,0|1,1,0]=4 45 B8R1.7 N=C(N)C1=NC=CS1 W4425 [1,1,0,0,0,0|1,0,1]=4 46 B8R1.7 OB(O)C1=NC=CS1 Y8965 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.11 CC1=C(CN)SC=C1 0965AA [1,1,0,0,0,0|2,0,0]=4 48 B8R1.11 CCC1=NNC=C1Br Y5291 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.1 CCNC1=NC=C(Br)N=C1 3107AJ [0,1,0,0,0,1|2,0,0]=4 50 B10R1.1 CCOC1=NC=C(C)N=C1 0448AC [0,1,0,0,0,1|1,0,0]=3 51 B10R1.4 CCCC1=C(C)C=CN=C1 Z0694 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.4 CCOC1=C(Br)C=CN=C1 5580AH [0,1,0,0,0,1|1,0,0]=3 53 B10R1.4 CCOC1=CC=CC=C1S I213 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.10 CCOC1=CC(C)=CN=C1 Y3973 [0,1,0,0,0,1|1,0,0]=3 55 B10R1.10 CCOC1=CN=CC(C)=N1 7536AB [0,1,0,0,0,1|1,0,0]=3 56 B10R1.17 CCCCC1=NC=CN=C1 2999AB [0,1,0,0,0,1|2,0,0]=4 57 B10R1.17 CCOCC1=NC=CN=C1 3692AB [0,1,0,0,0,1|1,0,0]=3 58 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,2,0,0,0,0|2,0,0]=4 60 B10R1.14 CCC(C)C1=NN=C(N)S1 6907AE [0,2,0,0,0,0|2,0,0]=4 61 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,2,0,0,0,0|2,0,0]=4 62 B10R1.16 CC1=CN=C(CCCN)N1 1370AC [0,2,0,0,0,0|2,0,0]=4 63 B10R1.11 CCOC(C)N1C=CC=N1 Z0478 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.11 N#CCC(=O)C1=NC=CS1 9964AD [0,2,0,0,0,0|1,0,1]=4 65 B10R1.23 CC(N)C(=O)C1=CC=CS1 0930AC [0,2,0,0,0,0|2,0,0]=4 66 B10R1.29 CN1C=CN=C1SCCO Y9349 [0,2,0,0,0,0|1,1,0]=4 67 B10R2.2 N[C@H]1CC2=NC=CN2C1 9192AH [0,1,0,1,0,0|2,0,0]=4