0  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|1,0,0]=2
1  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|2,0,0]=3
2  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3
3  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4
4  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
5  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,1]=4
6  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,0]=3
7  B7R1.4  NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|2,0,0]=4