0  B10R1.17  O=C\C=C\C1=CC=CC=C1 YMDB01654 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.8  C\C=C\C1=CN=CC=N1 YMDB01512 [1,0,0,0,0,0|2,0,1]=4
2  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,0,0,0,0,0|1,0,2]=4
3  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,0,0,0,0,0|0,0,1]=2
4  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,0,0,0,0,0|0,0,3]=4
5  B11R1.91  O=C(O)\C=C\C1=CC=CC=C1 YMDB01324 [0,1,0,0,0,0|0,0,0]=1
6  B11R2.20  C1=CC=C2C=CC=CC2=C1 YMDB01393 [0,0,0,1,0,0|1,0,0]=2
7  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|0,0,0]=2
8  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|0,0,2]=4
9  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [1,1,0,0,0,0|1,0,0]=3
10  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [1,1,0,0,0,0|0,0,1]=3
11  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 YMDB00498 [0,2,0,0,0,0|0,0,0]=2
12  B12R1.107  CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,2,0,0,0,0|1,0,1]=4
13  B12R1.107  CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [0,2,0,0,0,0|0,0,2]=4
14  B12R1.27  COC(=O)\C=C\C1=CC=CC=C1 YMDB01744 [0,2,0,0,0,0|0,0,0]=2
15  B12R1.252  CC(=O)OCCC1=CC=CC=C1 YMDB00574 [0,2,0,0,0,0|0,0,2]=4
16  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,2,0,0,0,0|0,0,2]=4
17  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,2,0,0,0,0|0,0,2]=4
18  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 YMDB00786 [0,2,0,0,0,0|0,0,1]=3
19  B10R2.7  C1=CC=C2SC=NC2=C1 YMDB01432 [1,0,0,1,0,0|1,1,0]=4