0  B5R0.3  OCC(S)CS HMDB0015677 [0,0,0,0,0,0|0,0,0]=0
1  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|1,1,1]=4
2  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|0,1,0]=2
3  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|1,0,1]=3
5  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
6  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,1,1]=4
7  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,1,0]=4
8  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [1,1,0,0,0,0|0,1,0]=3
9  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,1]=4
10  B5R1.3  ClCC1CO1 HMDB0014796 [1,0,0,1,0,0|1,1,0]=4