0  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,0,0,0,0,0|0,0,0]=1
1  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,0,0,0,0,0|1,0,1]=3
2  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,0,0,0,0,0|1,0,0]=2
3  B11R2.36  CC1=NC2=C(CCC2)N=C1 YMDB01495 [0,0,0,1,0,0|3,0,0]=4
4  B9R1.33  CC1=C(CCO)SC=N1 YMDB00706 [0,0,0,0,1,0|3,0,0]=4
5  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|1,0,1]=4
6  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|1,0,0]=3
7  B8R1.4  CC1=CC=CC(O)=C1 YMDB01730 [2,0,0,0,0,0|1,0,0]=3
8  B8R1.4  CC1=CN=CC(C)=N1 YMDB01600 [2,0,0,0,0,0|2,0,0]=4
9  B10R1.113  C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [1,1,0,0,0,0|1,0,1]=4
10  B10R1.1  NCCC1=CC=C(O)C=C1 YMDB01797 [1,1,0,0,0,0|0,0,0]=2
11  B10R1.1  OCCC1=CC=C(O)C=C1 YMDB01798 [1,1,0,0,0,0|1,0,0]=3
12  B10R1.4  OCCC1=CC=CC=C1O YMDB02314 [1,1,0,0,0,0|1,0,0]=3
13  B10R1.15  N#CC(O)C1=CC=CC=C1 YMDB01642 [1,1,0,0,0,0|0,0,2]=4
14  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [1,1,0,0,0,0|1,0,1]=4
15  B12R1.286  C=CCC1=CC(OC)=C(O)C=C1 YMDB01613 [0,2,0,0,0,0|1,0,1]=4
16  B12R1.286  COC1=C(O)C=CC(CCO)=C1 YMDB01712 [0,2,0,0,0,0|1,0,0]=3
17  B8R1.1  CC1=CC=C(CS)O1 YMDB01503 [1,0,0,0,1,0|2,0,0]=4
18  B8R1.1  CCC1=CN=C(C)S1 YMDB01509 [1,0,0,0,1,0|2,0,0]=4
19  B8R1.11  CCC1=C(C)N=CO1 YMDB01498 [1,0,0,0,1,0|2,0,0]=4
20  B8R1.11  CSC1=C(C)OC=C1 YMDB01452 [1,0,0,0,1,0|2,0,0]=4
21  B8R1.8  NCCC1=CNC=N1 YMDB01556 [1,0,0,0,1,0|2,0,0]=4
22  B8R1.8  SCCC1=CC=CO1 YMDB01460 [1,0,0,0,1,0|2,0,0]=4