0  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,0,0,0,0,0|0,0,0]=0
2  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 YMDB00786 [0,0,0,0,0,0|1,0,1]=2
3  B11R1.91  O=C(O)\C=C\C1=CC=CC=C1 YMDB01324 [1,0,0,0,0,0|0,0,2]=3
4  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O YMDB00364 [0,1,0,0,0,0|0,0,0]=1
5  B13R1.133  N[C@H](CC1=CC=C(O)C=C1)C(=O)O YMDB00805 [0,1,0,0,0,0|0,0,0]=1
6  B13R1.133  O=C(O)C(=O)CC1=CC=C(O)C=C1 YMDB00958 [0,1,0,0,0,0|1,0,1]=3
7  B13R1.133  O=C(O)C(O)CC1=CC=C(O)C=C1 YMDB00457 [0,1,0,0,0,0|1,0,0]=2
8  B13R1.152  O=C(O)C(=O)C(O)C1=CC=CC=C1 YMDB00151 [0,1,0,0,0,0|1,0,1]=3
9  B11R1.35  N[C@@H](CC1=CN=CN1)C(=O)O YMDB00369 [0,0,0,0,1,0|2,0,0]=3
10  B11R1.35  N[C@@H](CC1=CN=CN1)C(=O)O YMDB00794 [0,0,0,0,1,0|2,0,0]=3
11  B10R1.17  O=C\C=C\C1=CC=CC=C1 YMDB01654 [2,0,0,0,0,0|0,0,2]=4
12  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [2,0,0,0,0,0|1,0,1]=4
13  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 YMDB00498 [1,1,0,0,0,0|0,0,2]=4
14  B12R1.27  COC(=O)\C=C\C1=CC=CC=C1 YMDB01744 [1,1,0,0,0,0|0,0,2]=4
15  B12R1.107  CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [1,1,0,0,0,0|2,0,0]=4
16  B12R1.107  CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [1,1,0,0,0,0|0,0,1]=3
17  B12R1.145  CN1C=NC=C1C[C@H](N)C(=O)O YMDB00703 [0,1,0,0,1,0|2,0,0]=4
18  B12R1.253  CC(O)(C(=O)O)C1=CC=CC=C1 YMDB01774 [0,1,0,0,1,0|1,0,0]=3
19  B12R1.478  O=C(O)C(CO)C1=CC=CC=C1 YMDB02309 [0,1,0,0,1,0|1,0,0]=3
20  B12R1.252  CC(=O)OCCC1=CC=CC=C1 YMDB00574 [1,0,0,0,0,1|1,0,0]=3
21  B14R1.423  O=C(O)CNC(=O)CC1=CC=CC=C1 YMDB01568 [0,0,0,0,0,2|1,0,1]=4