0  B10R1.13  NC(=O)C1=CNC(=O)C=N1 HMDB0001978 [0,0,0,0,0,0|3,0,1]=4
1  B10R1.13  OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,0|0,0,0]=0
2  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,0,0|1,0,0]=2
3  B9R1.6  NC(=O)C1=NC=CN=C1 HMDB0014483 [1,0,0,0,0,0|3,0,0]=4
4  B9R1.6  OC(=O)C1=CC=NC=C1 HMDB0060665 [1,0,0,0,0,0|1,0,0]=2
5  B9R1.6  OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|1,0,0]=2
6  B9R1.6  OC(=O)C1=CN=CC=N1 HMDB0059734 [1,0,0,0,0,0|2,0,0]=3
7  B11R1.19  NC1=CC=C(C=C1)S(N)(=O)=O HMDB0014404 [0,1,0,0,0,0|2,0,1]=4
8  B11R1.19  NS(=O)(=O)C1=CC=C(Cl)C=C1 HMDB0061173 [0,1,0,0,0,0|2,0,1]=4
9  B11R1.19  OC1=CC=C(C=C1)C(F)(F)F HMDB0014023 [0,1,0,0,0,0|2,0,1]=4
10  B11R1.166  NC1=CC(O)=C(C=C1)C(O)=O HMDB0014378 [0,1,0,0,0,0|1,0,0]=2
11  B11R1.20  CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,0,0,0,0,1|1,0,1]=3
12  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,0,0,0,0,1|1,0,0]=2
13  B11R1.20  CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,0,0,0,0,1|2,0,1]=4
14  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [2,0,0,0,0,0|0,0,1]=3
15  B10R1.176  OCC1=CC(=O)C(O)=CO1 HMDB0032923 [1,1,0,0,0,0|1,0,1]=4
16  B10R1.15  C=C(C=O)C1=CC=CC=C1 HMDB0060671 [1,1,0,0,0,0|1,0,0]=3
17  B10R1.15  NNC(=O)C1=CC=NC=C1 HMDB0015086 [1,1,0,0,0,0|2,0,0]=4
18  B10R1.61  NC(=O)C1=CC=CC=C1O HMDB0015687 [1,1,0,0,0,0|1,0,0]=3
19  B10R1.61  OC(=O)C1=CC=CC=C1O HMDB0001895 [1,1,0,0,0,0|0,0,0]=2
20  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015469 [1,1,0,0,0,0|0,0,1]=3
21  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015470 [1,1,0,0,0,0|0,0,1]=3
22  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015473 [1,1,0,0,0,0|0,0,1]=3
23  B12R1.19  CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,0,1|1,0,0]=3
24  B12R1.16  CCOC(=O)C1=CC=C(N)C=C1 HMDB0004992 [0,2,0,0,0,0|1,0,0]=3
25  B12R2.606  ClC1=CC2=C(OC(=O)N2)C=C1 HMDB0014500 [0,0,0,1,0,1|2,0,0]=4
26  B8R1.7  OC(=O)C1=CNN=C1 HMDB0060760 [1,0,0,0,1,0|2,0,0]=4
27  B10R1.18  OC(=O)CC1=CC=CC=N1 HMDB0060722 [1,0,0,0,0,1|1,0,0]=3
28  B12R1.21  OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,0,0,0,0,2|0,0,0]=2