0  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.3  OCC(S)CS HMDB0015677 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,0,0,0,0,0|1,1,0]=3
4  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [1,0,0,0,0,0|0,1,2]=4
5  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|2,0,0]=3
6  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [0,1,0,0,0,0|2,0,0]=3
7  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,1,0,0,0,0|2,0,0]=3
8  B7R1.4  NN1CCOC1=O HMDB0060739 [0,0,0,1,0,0|3,0,0]=4
9  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,0,0,1,0,0|3,0,0]=4
10  B7R1.19  NC1(CC1)C(O)=O HMDB0036458 [0,0,0,1,0,0|2,0,0]=3
11  B4R0.1  CC(=O)NO HMDB0014691 [2,0,0,0,0,0|1,1,0]=4
12  B4R0.1  CC(O)CO HMDB0001881 [2,0,0,0,0,0|1,1,0]=4
13  B4R0.2  C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,2]=4
14  B6R0.4  CCCOC(C)=O HMDB0034237 [1,1,0,0,0,0|0,0,0]=2
15  B6R0.4  OCCCC([O-])=O HMDB0015507 [1,1,0,0,0,0|1,0,0]=3
16  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,1,0,0,0,1|2,0,0]=4
17  B8R0.8  CSCC[C@H](N)C(O)=O HMDB0000696 [0,2,0,0,0,0|2,0,0]=4
18  B8R0.27  CC(C)(S)C(N)C(O)=O HMDB0014997 [0,2,0,0,0,0|2,0,0]=4
19  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|2,0,0]=4