0  B8R0.23  CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [1,0,0,0,0,0|0,1,1]=3
2  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [1,0,0,0,0,0|0,0,1]=2
3  B9R0.79  OC(=O)C(S)C(S)C(O)=O HMDB0014706 [0,1,0,0,0,0|2,0,0]=3
4  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,0,0,0,1,0|1,0,2]=4
5  B7R0.16  OC(C(O)=O)C(O)=O HMDB0035227 [0,0,0,0,1,0|2,0,0]=3
6  B9R0.7  OC(=N)NCC(F)C(O)=O HMDB0060435 [0,0,0,0,0,1|1,0,2]=4
7  B6R0.4  OCCCC([O-])=O HMDB0015507 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [2,0,0,0,0,0|0,0,1]=3
9  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [2,0,0,0,0,0|0,1,0]=3
10  B8R0.8  CSCC[C@H](N)C(O)=O HMDB0000696 [1,1,0,0,0,0|0,1,1]=4
11  B8R0.9  NC(CCC(O)=O)C=C HMDB0015212 [1,1,0,0,0,0|1,0,1]=4
12  B10R0.23  CCCC(CC(C)=O)C(O)=O HMDB0060683 [0,2,0,0,0,0|2,0,0]=4
13  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|1,0,1]=4
14  B8R0.28  OC(=O)CNCC(O)=O HMDB0011753 [1,0,0,0,0,1|1,0,0]=3