0  B11R1.91  O=C(O)\C=C\C1=CC=CC=C1 YMDB01324 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.17  O=C\C=C\C1=CC=CC=C1 YMDB01654 [1,0,0,0,0,0|1,0,1]=3
2  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 YMDB00498 [0,1,0,0,0,0|2,0,1]=4
3  B12R1.27  COC(=O)\C=C\C1=CC=CC=C1 YMDB01744 [0,1,0,0,0,0|1,0,1]=3
4  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,1,0,0,0,0|2,0,0]=3
5  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,1,0,0,0,0|2,0,0]=3
6  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 YMDB00786 [0,1,0,0,0,0|2,0,0]=3
7  B12R1.107  CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,1,0,0,0,0|0,0,0]=1
8  B12R1.107  CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [0,1,0,0,0,0|2,0,0]=3
9  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,1,0|0,0,0]=1
10  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,1,0|1,0,0]=2
11  B12R1.252  CC(=O)OCCC1=CC=CC=C1 YMDB00574 [0,0,0,0,0,1|0,0,0]=1
12  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [2,0,0,0,0,0|1,0,1]=4
13  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [2,0,0,0,0,0|0,0,0]=2
14  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [2,0,0,0,0,0|0,0,2]=4
15  B11R1.20  O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [0,1,0,0,1,0|1,0,0]=3
16  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O YMDB00364 [0,2,0,0,0,0|2,0,0]=4
17  B13R1.133  N[C@H](CC1=CC=C(O)C=C1)C(=O)O YMDB00805 [0,2,0,0,0,0|2,0,0]=4
18  B13R1.133  O=C(O)C(=O)CC1=CC=C(O)C=C1 YMDB00958 [0,2,0,0,0,0|2,0,0]=4
19  B13R1.133  O=C(O)C(O)CC1=CC=C(O)C=C1 YMDB00457 [0,2,0,0,0,0|2,0,0]=4
20  B13R1.152  O=C(O)C(=O)C(O)C1=CC=CC=C1 YMDB00151 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,2,0|0,0,0]=2
22  B9R1.6  NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,2,0|2,0,0]=4
23  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,2,0|1,0,0]=3
24  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [0,0,0,0,2,0|2,0,0]=4
25  B9R1.13  CC(=O)CC1=CC=CO1 YMDB01695 [0,0,0,0,2,0|1,0,0]=3