0  B9R1.15  COC1=CC=CC=C1O YMDB01430 [0,0,0,0,0,0|1,1,0]=2
1  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [1,0,0,0,0,0|1,0,1]=3
2  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [1,0,0,0,0,0|1,0,0]=2
3  B8R1.5  CC1=CC=CC=C1O YMDB01457 [1,0,0,0,0,0|0,1,0]=2
4  B10R1.4  OCCC1=CC=CC=C1O YMDB02314 [0,1,0,0,0,0|0,1,0]=2
5  B10R1.25  CCC1=C(C)N=C(C)C=N1 YMDB01441 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.61  NC1=CC=CC=C1C(=O)O YMDB00278 [0,1,0,0,0,0|2,0,1]=4
7  B10R1.61  O=C(O)C1=CC=CC=C1O YMDB01322 [0,1,0,0,0,0|1,1,1]=4
8  B8R0.1  C=C\C=C\C(C)OCC YMDB01583 [0,0,1,0,0,0|2,0,1]=4
9  B10R2.7  C1=CC=C2SC=NC2=C1 YMDB01432 [0,0,0,1,0,0|1,0,1]=3
10  B8R1.11  CCC1=C(C)N=CO1 YMDB01498 [0,0,0,0,1,0|3,0,0]=4
11  B8R1.11  CSC1=C(C)OC=C1 YMDB01452 [0,0,0,0,1,0|3,0,0]=4
12  B7R1.3  CC1=NC=CC=C1 YMDB01458 [2,0,0,0,0,0|1,0,0]=3
13  B9R0.45  CCCC\C=C\C=C\C=O YMDB01795 [0,1,1,0,0,0|0,1,1]=4
14  B9R1.1  C=CC1=CC=C(O)C=C1 YMDB01627 [1,1,0,0,0,0|0,0,2]=4
15  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [1,1,0,0,0,0|0,0,0]=2
16  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [1,1,0,0,0,0|0,0,1]=3
17  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [1,1,0,0,0,0|1,0,1]=4
18  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,1,0,0,0,0|0,0,0]=2
19  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,1,0,0,0,0|0,0,1]=3
20  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,1,0,0,0,0|0,0,0]=2
21  B9R1.3  CC1=C(O)C(=O)C=CO1 YMDB01601 [1,1,0,0,0,0|1,1,0]=4
22  B11R1.222  COC(=O)C1=CC=CC=C1O YMDB01370 [0,2,0,0,0,0|0,1,1]=4
23  B11R1.464  COC1=C(Br)C=C(Br)C=C1Br YMDB01596 [0,2,0,0,0,0|2,0,0]=4
24  B11R1.464  COC1=C(Cl)C=C(Cl)C=C1Cl YMDB01597 [0,2,0,0,0,0|2,0,0]=4
25  B11R1.280  C=CC1=CC=C(O)C(OC)=C1 YMDB01624 [0,2,0,0,0,0|1,1,0]=4
26  B11R1.280  CCC1=CC(OC)=C(O)C=C1 YMDB01615 [0,2,0,0,0,0|1,1,0]=4
27  B11R1.280  COC1=CC(C=O)=CC=C1O YMDB01803 [0,2,0,0,0,0|1,1,0]=4
28  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,0,0,0,1,0|1,0,0]=3
29  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,0,0,0,1,0|2,0,0]=4
30  B7R1.1  CSC1=CSC=C1 YMDB01449 [1,0,0,0,1,0|2,0,0]=4
31  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,0,1,0|2,0,0]=4
32  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,0,0,0,1,0|2,0,0]=4
33  B7R1.4  CC1=C(S)C=CO1 YMDB01443 [1,0,0,0,1,0|1,0,0]=3
34  B7R1.4  CC1=C(S)C=CS1 YMDB01502 [1,0,0,0,1,0|1,0,0]=3