0  B6R0.6  CNCCCCN HMDB0003661 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.6  NCCCCCN HMDB0002322 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.2  NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.2  CCCCO HMDB0004327 [2,0,0,0,0,0|0,1,0]=3
4  B6R1.1  C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|0,0,2]=4