0  B12R1.4  COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,1,0,0,0,0|1,0,0]=2
1  B12R1.4  COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,1,0,0,0,0|2,0,0]=3
2  B12R1.5  COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,1,0,0,0,0|2,0,1]=4
3  B12R1.71  COC1=CC=C(OCCN)C=C1 BTB10107 [0,1,0,0,0,0|1,0,1]=3
4  B12R2.44  COC1=CC2=NON=C2C=C1 KM06417 [0,0,0,1,0,0|3,0,0]=4
5  B12R2.44  COC1=CC2=NSN=C2C=C1 RDP00061 [0,0,0,1,0,0|3,0,0]=4
6  B9R1.1  CSC1=CC=C(Br)C=C1 BTB04532 [2,0,0,0,0,0|1,1,0]=4
7  B11R1.20  CC1=CC=C(CC(=O)O)C=C1 MB00106 [1,1,0,0,0,0|1,0,0]=3
8  B11R1.20  CC1=CC=C(CC(N)=S)C=C1 DP01389 [1,1,0,0,0,0|1,0,0]=3
9  B11R1.20  CC1=CC=C(NC(N)=O)C=C1 JA00151 [1,1,0,0,0,0|2,0,0]=4
10  B11R1.20  NC(=S)CC1=CC=C(Cl)C=C1 DP01382 [1,1,0,0,0,0|2,0,0]=4
11  B11R1.20  O=C(O)CC1=CC=C(Br)C=C1 TL00410 [1,1,0,0,0,0|2,0,0]=4
12  B11R1.20  O=C(O)CC1=CC=C(F)C=C1 RH01845 [1,1,0,0,0,0|2,0,0]=4
13  B11R1.3  CCC1=CC=C(C(=O)O)C=C1 BTB09873 [1,1,0,0,0,0|2,0,0]=4
14  B11R1.3  CNC1=CC=C(C(=O)O)C=C1 JFD03586 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.3  COC1=NC=C(C(N)=S)C=C1 SPB05765 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.279  COC1=C(Br)C=C(C#N)C=C1 JFD00651 [1,1,0,0,0,0|1,0,1]=4
17  B13R1.35  COC1=C(Cl)C=C(NC(C)=O)C=C1 BTB10813 [0,2,0,0,0,0|1,0,1]=4
18  B13R1.142  CCOC1=CC=C(NC(N)=O)C=C1 BTB13290 [0,2,0,0,0,0|2,0,0]=4
19  B13R1.3  COC1=CC=C(NNC(N)=S)C=C1 PD00457 [0,2,0,0,0,0|2,0,0]=4
20  B13R1.3  COC1=CC=C(OCC(N)=O)C=C1 SPB08002 [0,2,0,0,0,0|1,0,0]=3
21  B13R1.3  COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01396 [0,2,0,0,0,0|1,0,1]=4
22  B13R1.371  COC1=CC=C(NCCC#N)C=C1 EN00151 [0,2,0,0,0,0|0,0,2]=4
23  B13R1.371  COC1=CC=C(OCCC#N)C=C1 SEW04595 [0,2,0,0,0,0|0,0,2]=4
24  B11R2.36  BrC1=CC=C2NC=CC2=C1 RH00766 [1,0,0,1,0,0|2,0,0]=4
25  B11R2.36  ClC1=CC=C2NC=CC2=C1 JFD02106 [1,0,0,1,0,0|2,0,0]=4
26  B11R2.36  IC1=CC=C2NC=CC2=C1 RH00726 [1,0,0,1,0,0|2,0,0]=4
27  B13R2.2121  COC1=CC2=C(C=C1)NC(S)=N2 RH00387 [0,1,0,1,0,0|2,0,0]=4
28  B13R2.2121  COC1=CC=C2N=C(N)SC2=C1 BTB04799 [0,1,0,1,0,0|2,0,0]=4
29  B13R2.2121  COC1=CC=C2NC(C)=CC2=C1 BTB13426 [0,1,0,1,0,0|1,0,0]=3