0  B6R0.6  ClCCNCCCl HMDB0060688 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.8  CSCC[C@H](N)C(O)=O HMDB0000696 [0,2,0,0,0,0|1,0,1]=4
3  B8R1.2  O=NC1CCNCC1 HMDB0061162 [0,1,0,1,0,0|1,0,1]=4
4  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|1,0,1]=4