0  B9R1.2  OCC1=CC=CC(I)=C1 DB03339 [1,0,0,0,0,0|2,0,0]=3
1  B9R1.8  NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1
2  B9R1.8  O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3
3  B9R1.8  OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2
4  B11R1.13  C=CCC1=C(O)C(C)=CC=C1 DB03301 [0,1,0,0,0,0|1,0,1]=3
5  B11R2.36  CC1=CC2=C(C=C1)N=CN2 DB03177 [0,0,0,1,0,0|1,0,2]=4
6  B9R1.33  CC1=C(CCO)SC=N1 DB02969 [0,0,0,0,1,0|3,0,0]=4
7  B8R1.2  NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2
8  B8R1.2  OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4
9  B8R1.2  SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4
10  B8R1.4  CC1=CC=CC(O)=C1 DB01776 [2,0,0,0,0,0|1,0,0]=3
11  B8R1.4  OC1=CC=CC(Cl)=C1 DB01957 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.2  OCC1=CC=CC(F)=C1F DB04312 [1,1,0,0,0,0|2,0,0]=4
13  B10R1.1  OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,0]=3
14  B10R1.4  C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.4  CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,0]=3
16  B10R1.15  N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|0,0,2]=4
17  B10R1.17  C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.17  NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2
19  B10R1.17  O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4
20  B10R1.17  O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4
21  B10R1.17  OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|1,0,1]=4
22  B10R1.18  NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,0,1]=4
23  B12R1.385  CNCCC1=CC(O)=C(O)C=C1 DB13917 [0,2,0,0,0,0|1,0,0]=3
24  B12R1.286  CCC1=CC(CCN)=CC=C1O DB07346 [0,2,0,0,0,0|0,0,0]=2
25  B10R2.6  C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,0]=3
26  B10R2.7  C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|0,0,2]=4
27  B10R2.7  C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|1,0,1]=4
28  B12R2.24  IC1=CC2=C(C=C1)CCNC2 DB03824 [0,1,0,1,0,0|2,0,0]=4
29  B12R2.100  CC1=CC2=C(C=C1C)NC=N2 DB02591 [0,1,0,1,0,0|1,0,1]=4