0  B10R1.15  N#CC(O)C1=CC=CC=C1 YMDB01642 [0,0,0,0,0,0|2,0,1]=3
1  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [1,0,0,0,0,0|0,0,2]=3
2  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [1,0,0,0,0,0|1,0,1]=3
3  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,0,0,0,0,0|1,0,0]=2
5  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,0,0,0,0,0|0,0,2]=3
6  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,0,0,0,0,0|0,0,0]=1
7  B11R1.12  CC=C(C=O)C1=CC=CC=C1 YMDB01440 [0,1,0,0,0,0|0,0,3]=4
8  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|0,0,2]=4
9  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|0,0,0]=2
10  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [1,1,0,0,0,0|0,0,2]=4
11  B10R1.13  CC(O)C1=CC=C(O)C=C1 YMDB01404 [1,1,0,0,0,0|0,0,0]=2
12  B10R1.13  CC1=CN=C(C(C)C)C=N1 YMDB01446 [1,1,0,0,0,0|2,0,0]=4
13  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [1,1,0,0,0,0|1,0,1]=4
14  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.61  NC1=CC=CC=C1C(=O)O YMDB00278 [1,1,0,0,0,0|1,0,1]=4
16  B10R1.61  O=C(O)C1=CC=CC=C1O YMDB01322 [1,1,0,0,0,0|1,0,1]=4
17  B10R1.1  NCCC1=CC=C(O)C=C1 YMDB01797 [1,1,0,0,0,0|1,0,0]=3
18  B10R1.1  OCCC1=CC=C(O)C=C1 YMDB01798 [1,1,0,0,0,0|0,0,0]=2
19  B10R1.4  OCCC1=CC=CC=C1O YMDB02314 [1,1,0,0,0,0|0,0,0]=2
20  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [1,1,0,0,0,0|0,0,1]=3
21  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,1,0,0,0,1|1,0,1]=4
22  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,1,0,0,0,1|1,0,1]=4
23  B12R1.253  CC(O)(C(=O)O)C1=CC=CC=C1 YMDB01774 [0,2,0,0,0,0|0,0,1]=3
24  B12R1.478  O=C(O)C(CO)C1=CC=CC=C1 YMDB02309 [0,2,0,0,0,0|0,0,1]=3
25  B12R1.107  CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,2,0,0,0,0|0,0,2]=4
26  B12R1.107  CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [0,2,0,0,0,0|0,0,1]=3
27  B8R1.8  SCCC1=CC=CO1 YMDB01460 [1,0,0,0,1,0|1,1,0]=4