0  B12R2.18  CC1=C(Cl)NC2=NC=CC=C21 Y5285 [0,0,0,0,0,0|3,0,0]=3
1  B12R2.18  CN1C(=S)OC2=CC=CC=C21 Y7468 [0,0,0,0,0,0|3,1,0]=4
2  B12R2.18  O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,0,0,0,0,0|3,0,1]=4
3  B11R2.1  IC1=CNC2=C1C=CC=C2 2307AJ [1,0,0,0,0,0|3,0,0]=4
4  B11R2.1  NC1=CNC2=C1C=CC=C2 8737AE [1,0,0,0,0,0|3,0,0]=4
5  B11R2.1  OC1=CSC2=CC=CC=C12 Z5532 [1,0,0,0,0,0|3,0,0]=4
6  B11R2.10  FC1=NC2=CC=CC=C2N1 Z6062 [1,0,0,0,0,0|2,0,1]=4
7  B11R2.10  NC1=NC2=CC=CN=C2O1 5177AC [1,0,0,0,0,0|2,0,1]=4
8  B11R2.10  [S-]C1=NC2=CC=CC=C2N1 V1484 [1,0,0,0,0,0|1,1,1]=4
9  B13R2.3085  CN1C(=O)C(N)C2=C1C=CC=C2 2335AL [0,1,0,0,0,0|3,0,0]=4
10  B13R2.3085  CN1C(=O)C(N)C2=C1C=CC=C2 2336AL [0,1,0,0,0,0|3,0,0]=4
11  B13R2.3085  CN1C(=O)C(N)C2=C1C=CC=C2 8186AA [0,1,0,0,0,0|3,0,0]=4
12  B11R1.36  O=C(O)C(Br)C1=CC=CN=C1 0971AD [0,0,1,0,0,0|3,0,0]=4
13  B11R1.36  O=C(O)C(O)C1=CC=CC=C1 8062AF [0,0,1,0,0,0|3,0,0]=4
14  B10R1.61  NC1=C(B(O)O)C=CC=N1 3540AA [1,0,1,0,0,0|1,0,1]=4
15  B10R1.61  NC1=NC=NC=C1C(=O)O 5566AH [1,0,1,0,0,0|2,0,0]=4
16  B10R2.7  C1=CC2=C(CC=C2)N=C1 2529AB [2,0,0,0,0,0|2,0,0]=4
17  B10R2.7  C1=CC=C2NCNC2=C1 6469AB [2,0,0,0,0,0|1,0,1]=4
18  B10R2.7  C1=CN=C2NC=CC2=C1 7845AF [2,0,0,0,0,0|1,0,0]=3
19  B10R2.7  C1=CN=C2OC=CC2=C1 Y8520 [2,0,0,0,0,0|2,0,0]=4
20  B12R1.49  N=C(NO)NC1=CC=C(F)C=C1 1888AH [0,1,1,0,0,0|2,0,0]=4
21  B12R1.50  CCC(=O)NC1=NC=CC(Cl)=C1 Y6474 [0,1,1,0,0,0|2,0,0]=4
22  B12R2.1  OCC1=CNC2=CC=CC=C12 2717AD [1,1,0,0,0,0|2,0,0]=4
23  B12R2.203  ClC1=C2C(I)=CNC2=NC=C1 Y4403 [1,1,0,0,0,0|2,0,0]=4
24  B12R2.203  FC1=CNC2=NC=CC(Cl)=C12 Y5237 [1,1,0,0,0,0|2,0,0]=4
25  B14R2.8188  O=C1C(O)OC2=CC=CC=C2N1O 0078AP [0,1,0,0,0,1|2,0,0]=4
26  B14R2.517  O=C1NC2=CC=CC=C2N1CCO 7134AE [0,2,0,0,0,0|1,0,0]=3
27  B12R1.107  NC(=O)CC(N)C1=CC=CN=C1 2028AC [0,0,1,0,0,1|2,0,0]=4
28  B12R2.1041  O=C1C=C2C=CC=CC=C2N1 Y6126 [1,0,0,0,0,1|2,0,0]=4