0  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [0,0,0,0,0,0|1,1,0]=2
2  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|1,1,0]=3
3  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
4  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,1,0]=4
5  B5R0.3  OCC(S)CS HMDB0015677 [1,1,0,0,0,0|1,0,0]=3
6  B5R1.3  ClCC1CO1 HMDB0014796 [1,0,0,1,0,0|1,1,0]=4