0 B9R1.13 CC(N)CC1=CC=CN1 9883AH [0,0,0,0,0,0|2,0,1]=3 1 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,0,0,0,0,0|1,1,1]=3 2 B9R1.13 CC(N)CC1=CNC=N1 1005AJ [0,0,0,0,0,0|3,0,1]=4 3 B9R1.13 C[C@@H](N)CC1=CNC=N1 4491AJ [0,0,0,0,0,0|3,0,1]=4 4 B9R1.13 C[C@H](N)CC1=CNC=N1 8564AH [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 O=C(O)CC1=CNN=C1 Y1507 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CNCC1=CC=CO1 6487AB [1,0,0,0,0,0|1,0,0]=2 7 B8R1.8 CNCC1=NC=CN1 4098AE [1,0,0,0,0,0|3,0,0]=4 8 B10R1.23 NC(C(=O)O)C1=CC=CO1 X7306 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.23 NC(C(=O)O)C1=CC=CS1 Y1430 [0,1,0,0,0,0|1,1,0]=3 10 B10R1.23 O=C(O)C(=O)C1=CC=CO1 Y3293 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.54 CC(=O)NC1=NOC(C)=C1 5950AA [0,1,0,0,0,0|3,0,0]=4 12 B10R1.64 CC(=O)CN1C=CN=C1C 0102AE [0,1,0,0,0,0|3,0,0]=4 13 B10R2.2 O=C1CC2=C(C1)NC=C2 9935AD [0,0,0,1,0,0|1,0,0]=2 14 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,0,0,0,1,0|2,0,0]=3 15 B8R1.7 CC(O)C1=CC=CS1 2224AC [0,0,0,0,1,0|0,1,2]=4 16 B8R1.7 O=C(O)C1=NN=CO1 6208AC [0,0,0,0,1,0|3,0,0]=4 17 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,0,0,0,1,0|2,0,0]=3 18 B10R1.18 CC(=O)CC1=NC=CC=N1 1768AC [0,0,0,0,0,1|1,0,0]=2 19 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [0,0,0,0,0,1|3,0,0]=4 20 B10R1.18 OC(=S)CC1=CC=NC=C1 L775 [0,0,0,0,0,1|2,0,1]=4 21 B10R1.66 NC(=S)NCC1=CC=CO1 5733AE [0,0,0,0,0,1|1,1,0]=3 22 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 5385AE [0,0,0,0,0,1|2,0,0]=3 23 B7R1.1 CNC1=CC=CS1 1494AC [2,0,0,0,0,0|1,1,0]=4 24 B7R1.1 COC1=CC=CN1 Y1596 [2,0,0,0,0,0|2,0,0]=4 25 B7R1.1 ClCC1=CC=CO1 Z5545 [2,0,0,0,0,0|1,0,0]=3 26 B7R1.1 NCC1=CN=CO1 Y4206 [2,0,0,0,0,0|2,0,0]=4 27 B7R1.1 NCC1=NC=CO1 4279AC [2,0,0,0,0,0|2,0,0]=4 28 B7R1.1 O=CC1=CC=NO1 8334AA [2,0,0,0,0,0|1,0,0]=3 29 B9R0.1 C=CC(=O)OCCC(=O)O 7898AJ [0,1,1,0,0,0|1,0,1]=4 30 B9R1.7 CCCC1=CN=C(Br)O1 Y3059 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.7 CN1C=NC(CC=O)=C1 Y1291 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.7 CNCC1=CC(C)=NO1 Y9016 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.11 CCC(N)C1=CC=CS1 7066AE [1,1,0,0,0,0|0,1,1]=4 34 B9R1.12 O=C=NCC1=CC=CO1 8553AE [1,1,0,0,0,0|0,0,1]=3 35 B9R1.12 S=COCC1=CC=CO1 M512 [1,1,0,0,0,0|0,1,0]=3 36 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,1,0,0,1,0|1,1,0]=4 37 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,1,0,0,1,0|1,1,0]=4 39 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,1,0,0,1,0|2,0,0]=4 40 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,1,0,0,1,0|0,1,0]=3 41 B9R1.41 CC1=C([N+](=O)[O-])OC=C1 Z5516 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 7899AF [0,1,0,0,0,1|2,0,0]=4 43 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,1,0,0,0,1|1,0,1]=4 44 B11R1.36 O=C(O)C(Br)C1=CC=CN=C1 0971AD [0,1,0,0,0,1|2,0,0]=4 45 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,1,0,0,0,1|2,0,0]=4 46 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [0,1,0,0,0,1|1,0,1]=4 47 B11R1.86 O=C(O)CC1=CNC=CC1=O X3979 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.86 O=C(O)CC1=NC=CC=C1Cl Z5258 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 5257AB [0,1,0,0,0,1|2,0,0]=4 50 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 0809AC [0,1,0,0,0,1|2,0,0]=4 51 B11R1.75 CC(=O)OCC1=NC(C)=NO1 6320AD [0,1,0,0,0,1|2,0,0]=4 52 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 3207AB [0,1,0,0,0,1|0,1,0]=3 53 B11R1.30 CCNC(=O)CN1C=CC=N1 7265AJ [0,2,0,0,0,0|2,0,0]=4 54 B11R1.645 CC(=O)CN1N=C(C)C=C1C 1617AE [0,2,0,0,0,0|2,0,0]=4 55 B11R2.36 O=C1CCN2C=CC=C2C1 X7975 [0,0,0,1,0,1|2,0,0]=4 56 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,0,0,0,0,1|1,0,1]=4 57 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,0,0,0,0,1|1,0,1]=4 58 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [0,0,0,0,0,2|1,1,0]=4 59 B11R1.91 CC(=S)OCC1=CC=NC=C1 Z2907 [0,0,0,0,0,2|1,1,0]=4 60 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [0,0,0,0,0,2|2,0,0]=4 61 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [0,0,0,0,0,2|2,0,0]=4 62 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [0,0,0,0,0,2|2,0,0]=4