0  B8R1.1  CC1=CC=C(C=O)O1 YMDB01435 [0,0,0,0,0,0|0,0,0]=0
1  B8R1.1  CC1=CC=C(C=O)S1 YMDB01445 [0,0,0,0,0,0|0,1,0]=1
2  B8R1.1  CC1=CC=C(CS)O1 YMDB01503 [0,0,0,0,0,0|0,1,1]=2
3  B8R1.1  CCC1=CN=C(C)S1 YMDB01509 [0,0,0,0,0,0|2,1,1]=4
4  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,0,0,0,0,0|1,0,1]=3
5  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,0,0,0,0,0|0,0,0]=1
6  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,0,0,0|0,1,2]=4
7  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,0,0,0,0,0|0,1,1]=3
8  B9R1.22  CCC1=C(C)N=C(C)O1 YMDB01500 [0,1,0,0,0,0|2,0,1]=4
9  B9R1.35  O=C(O)C1=CC=C(O)O1 YMDB02319 [0,1,0,0,0,0|1,0,0]=2
10  B7R0.4  C\C=C\C=C\C(=O)O YMDB01784 [0,0,1,0,0,0|2,0,0]=3
11  B7R0.12  C\C=C(/C=O)CSC YMDB01485 [0,0,1,0,0,0|2,0,1]=4
12  B9R1.1  C=CC1=CC=C(O)C=C1 YMDB01627 [0,0,0,0,0,1|3,0,0]=4
13  B6R0.6  CCC\C=C/C=O YMDB01655 [1,0,1,0,0,0|0,0,2]=4
14  B6R0.6  C\C=C\C=C\CO YMDB01707 [1,0,1,0,0,0|0,0,2]=4
15  B6R1.2  CC1=CC=CS1 YMDB01462 [2,0,0,0,0,0|0,1,0]=3
16  B6R1.2  CC1=CSC=N1 YMDB01620 [2,0,0,0,0,0|2,0,0]=4
17  B8R1.7  CC(=O)C1=CC=CS1 YMDB01431 [1,1,0,0,0,0|0,1,0]=3
18  B8R1.7  CC(=O)C1=NC=CS1 YMDB01581 [1,1,0,0,0,0|1,1,0]=4
19  B8R1.8  SCCC1=CC=CO1 YMDB01460 [1,1,0,0,0,0|0,1,1]=4
20  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,0,1|1,0,0]=3
21  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,1,0,0,0,1|2,0,0]=4
22  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,1,0,0,0,1|2,0,0]=4
23  B10R1.113  C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,1,0,0,0,1|2,0,0]=4
24  B10R1.54  O=C(O)\C=C1/C=CC(=O)O1 YMDB00159 [0,2,0,0,0,0|1,0,0]=3
25  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [0,0,1,1,0,0|1,0,1]=4
26  B8R1.3  O=C1C=CC(=O)C=C1 YMDB00155 [0,0,1,1,0,0|2,0,0]=4
27  B8R1.5  CC1=CC=CC=C1O YMDB01457 [0,0,1,1,0,0|1,0,1]=4