0  B6R0.6  ClCCNCCCl HMDB0060688 [0,1,0,0,0,0|2,0,0]=3
1  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
2  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,1]=4
3  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,1]=4