0 B9R1.11 CCC(N)C1=CC=CS1 7066AE [0,0,0,0,0,0|2,0,0]=2 1 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 NCC(O)C1=CC=CS1 9385AJ [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 CC(C)C1=NN=CO1 7440AA [1,0,0,0,0,0|1,1,0]=3 4 B8R1.7 CC(N)C1=NNC=C1 Y5743 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 CC(O)C1=CC=CS1 2224AC [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 ClC(Cl)C1=NC=CO1 1688AJ [1,0,0,0,0,0|2,1,0]=4 7 B8R1.7 N=C(N)C1=NC=CS1 W4425 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 OB(O)C1=NC=CS1 Y8965 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 CNCC1=CC=CO1 6487AB [1,0,0,0,0,0|2,1,0]=4 10 B8R1.8 CNCC1=NC=CN1 4098AE [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 ClCCC1=CNC=N1 6287AA [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=NNC=C1 1009AJ [1,0,0,0,0,0|3,0,0]=4 13 B10R1.11 CCOC(C)N1C=CC=N1 Z0478 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.11 N#CCC(=O)C1=NC=CS1 9964AD [0,1,0,0,0,0|1,0,2]=4 15 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,1,0,0,0,0|2,0,1]=4 16 B10R1.14 CCC(C)C1=NN=C(N)S1 6907AE [0,1,0,0,0,0|1,0,0]=2 17 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,1,0,0,0,0|2,0,1]=4 18 B10R1.23 CC(N)C(=O)C1=CC=CS1 0930AC [0,1,0,0,0,0|2,0,1]=4 19 B8R0.3 C\C=C\C(=O)C(C)CC Z6103 [0,0,1,0,0,0|1,1,1]=4 20 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [0,0,0,0,0,1|3,0,0]=4 21 B7R0.10 CCC(C)C(=O)SC U625 [1,0,1,0,0,0|1,0,1]=4 22 B7R1.1 BrCC1=NC=CS1 Y7403 [2,0,0,0,0,0|1,0,0]=3 23 B7R1.1 C#CC1=NC=CS1 Y5907 [2,0,0,0,0,0|0,0,2]=4 24 B7R1.1 CNC1=CC=CS1 1494AC [2,0,0,0,0,0|2,0,0]=4 25 B7R1.1 ClCC1=NC=CN1 5437AB [2,0,0,0,0,0|2,0,0]=4 26 B7R1.1 NCC1=NC=CO1 4279AC [2,0,0,0,0,0|1,1,0]=4 27 B9R1.19 CC(C)(C)C1=CC=CC1 5719AB [1,1,0,0,0,0|2,0,0]=4 28 B9R1.19 CS(=N)(=O)C1=NC=CS1 9063AJ [1,1,0,0,0,0|2,0,0]=4 29 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.7 CCOC1=NC=C(Br)S1 Y6999 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.7 NCCC1=CC=C(Br)S1 4915AB [1,1,0,0,0,0|2,0,0]=4 32 B9R1.7 NCCC1=CC=C(Cl)S1 1212AJ [1,1,0,0,0,0|2,0,0]=4 33 B9R1.13 CC(N)CC1=CC=CN1 9883AH [1,1,0,0,0,0|1,0,1]=4 34 B9R1.13 CC(N)CC1=CC=CS1 3185AB [1,1,0,0,0,0|1,0,0]=3 35 B9R1.13 CC(N)CC1=CNC=N1 1005AJ [1,1,0,0,0,0|2,0,0]=4 36 B9R1.13 C[C@@H](N)CC1=CNC=N1 4491AJ [1,1,0,0,0,0|2,0,0]=4 37 B9R1.13 C[C@H](N)CC1=CNC=N1 8564AH [1,1,0,0,0,0|2,0,0]=4 38 B11R2.1 NC1CCC2=C1C=NC=C2 3373AJ [0,0,0,1,0,1|2,0,0]=4 39 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,0,0,0,0,1|1,0,0]=3 40 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,0,0,0,0,1|1,0,0]=3