0  B11R2.10  NC1N=C2C=CC=CC2=N1 DB01665 [0,0,0,0,0,0|3,0,1]=4
1  B10R2.7  C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,0,0,0|1,0,0]=2
2  B10R2.7  C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,0,0,0|0,0,0]=1
3  B10R2.7  C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,0,0,0|2,0,0]=3
4  B12R2.18  O=C1NC2=CC=CC=C2C1=O DB02095 [0,1,0,0,0,0|2,0,0]=3
5  B12R2.606  N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.4  C=CCC1=CC=CC=C1O DB02534 [0,0,1,0,0,0|0,0,2]=3
7  B10R1.4  CCCC1=CC=CC=C1N DB02970 [0,0,1,0,0,0|1,0,2]=4
8  B10R1.18  NC(=S)NC1=CC=CC=C1 DB03694 [0,0,1,0,0,0|2,1,0]=4
9  B12R2.24  O=C1C=CC2=CC=CC=C2N1 DB04745 [0,0,0,0,0,1|2,0,0]=3
10  B12R2.24  O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,0,0,1|1,0,0]=2
11  B9R1.8  O=CCC1=CC=CC=C1 DB02178 [1,0,1,0,0,0|0,0,2]=4
12  B9R1.8  OCCC1=CC=CC=C1 DB02192 [1,0,1,0,0,0|0,0,2]=4
13  B11R1.13  C=CCC1=C(O)C(C)=CC=C1 DB03301 [0,1,1,0,0,0|0,0,2]=4
14  B11R1.222  O=C(NO)C1=CC=CC=C1O DB03819 [0,1,1,0,0,0|2,0,0]=4
15  B11R1.36  O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,1,0,0,0|1,0,0]=3
16  B11R1.36  O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,1,0,0,0|1,0,1]=4
17  B11R1.36  O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,1,0,0,0|1,0,1]=4
18  B11R1.40  NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,1,0,0,0|2,0,0]=4
19  B11R1.40  OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,1,1,0,0,0|0,0,2]=4
20  B11R2.36  CC1=CC2=C(C=C1)N=CN2 DB03177 [1,1,0,0,0,0|2,0,0]=4
21  B13R2.32  CN1C(=O)C=CC2=CC=CC=C21 DB04580 [0,1,0,0,0,1|2,0,0]=4
22  B13R2.32  OC1=CC=C2C=CC=CC2=C1O DB07610 [0,1,0,0,0,1|2,0,0]=4
23  B13R2.328  CC1=CC(=O)OC2=CC=CC=C12 DB08785 [0,1,0,0,0,1|1,0,0]=3
24  B13R2.328  NC1=NC2=CC=CC=C2C(=O)N1 DB03780 [0,1,0,0,0,1|2,0,0]=4
25  B13R2.328  O=C1C=C(O)C2=CC=CC=C2O1 DB03410 [0,1,0,0,0,1|1,0,0]=3
26  B13R2.328  O=C1NC2=CC=CC=C2C(=O)O1 DB11593 [0,1,0,0,0,1|2,0,0]=4
27  B13R2.5179  OC1=CC=C2C(O)=CC=CC2=C1 DB07661 [0,1,0,0,0,1|2,0,0]=4
28  B13R2.435  NC(=[NH2+])C1=CC2=C(C=CC=C2)S1 DB04446 [0,2,0,0,0,0|0,1,1]=4
29  B13R2.435  OB(O)C1=CC2=C(C=CC=C2)S1 DB04360 [0,2,0,0,0,0|1,1,0]=4
30  B11R2.20  C1=CC=C2C=NC=CC2=C1 DB04329 [0,0,1,1,0,0|2,0,0]=4
31  B9R1.6  CC(=O)C1=CC=CC=C1 DB04619 [0,0,1,0,1,0|0,0,1]=3
32  B9R1.6  C[C@@H](O)C1=CC=CC=C1 DB04784 [0,0,1,0,1,0|0,0,1]=3
33  B9R1.6  NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,0,1,0,1,0|2,0,0]=4
34  B9R1.6  O=[S@](O)C1=CC=CC=C1 DB03848 [0,0,1,0,1,0|2,0,0]=4
35  B9R1.6  OB(O)C1=CC=CC=C1 DB01795 [0,0,1,0,1,0|2,0,0]=4
36  B11R1.91  O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,1,0,0,1|1,0,1]=4