0  B7R0.4  NCCOCC([O-])=O HMDB0060587 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.8  CSCC[C@H](N)C(O)=O HMDB0000696 [0,1,0,0,0,0|1,0,2]=4
2  B8R1.7  OC(=O)C1=CNN=C1 HMDB0060760 [0,0,0,1,0,0|2,0,1]=4
3  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,0,0,1,0,0|1,0,1]=3
4  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [1,1,0,0,0,0|1,0,1]=4