0  B7R1.4  CC1=C(S)C=CO1 YMDB01443 [0,0,0,0,0,0|0,0,0]=0
1  B7R1.4  CC1=C(S)C=CS1 YMDB01502 [0,0,0,0,0,0|0,1,0]=1
2  B6R1.2  CC1=CC=CS1 YMDB01462 [1,0,0,0,0,0|0,1,0]=2
3  B6R1.2  CC1=CSC=N1 YMDB01620 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.11  CCC1=C(C)N=CO1 YMDB01498 [0,1,0,0,0,0|2,0,0]=3
5  B8R1.11  CSC1=C(C)OC=C1 YMDB01452 [0,1,0,0,0,0|0,0,0]=1
6  B8R1.50  CC1=C(O)C(=O)CC1 YMDB01663 [0,1,0,0,0,0|1,1,1]=4
7  B6R0.6  CCC\C=C/C=O YMDB01655 [0,0,1,0,0,0|1,1,1]=4
8  B6R0.6  C\C=C\C=C\CO YMDB01707 [0,0,1,0,0,0|1,1,1]=4
9  B8R1.4  CC1=CC=CC(O)=C1 YMDB01730 [0,0,0,0,0,1|1,1,0]=3
10  B8R1.4  CC1=CN=CC(C)=N1 YMDB01600 [0,0,0,0,0,1|3,0,0]=4
11  B8R1.4  NC1=CC=NC(=O)N1 YMDB00651 [0,0,0,0,0,1|3,0,0]=4
12  B8R1.4  O=C1C=CNC(=O)N1 YMDB00098 [0,0,0,0,0,1|2,1,0]=4
13  B8R1.5  CC1=CC=CC=C1O YMDB01457 [0,0,0,0,0,1|1,1,0]=3
14  B5R1.1  C1=CSC=C1 YMDB01792 [2,0,0,0,0,0|0,1,0]=3
15  B7R0.4  C\C=C\C=C\C(=O)O YMDB01784 [0,1,1,0,0,0|1,1,0]=4
16  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,1,0,0,0,0|0,0,0]=2
17  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,1,0,0,0,0|1,1,0]=4
18  B7R1.1  CSC1=CSC=C1 YMDB01449 [1,1,0,0,0,0|0,1,0]=3
19  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,1,0,0,0,0|0,0,1]=3
20  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,1,0,0,0,0|0,1,0]=3
21  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,1,0,0,0,0|0,0,0]=2
22  B9R1.3  CC1=C(O)C(=O)C=CO1 YMDB01601 [0,1,0,0,0,1|0,1,0]=3
23  B9R1.15  COC1=CC=CC=C1O YMDB01430 [0,1,0,0,0,1|1,1,0]=4
24  B9R1.22  CCC1=C(C)N=C(C)O1 YMDB01500 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.22  CCC1=C(C)OC(C)=N1 YMDB01499 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.33  CSSC1=C(C)OC=C1 YMDB01463 [0,2,0,0,0,0|0,0,0]=2
27  B9R1.37  CC1=C(O)C(=O)C(C)O1 YMDB01694 [0,2,0,0,0,0|0,1,1]=4
28  B9R1.37  CC1=C(O)C(=O)OC1C YMDB01572 [0,2,0,0,0,0|1,0,1]=4
29  B7R1.3  CC1=NC=CC=C1 YMDB01458 [0,0,1,1,0,0|2,0,0]=4