0  B4R0.2  C/C=C\C=O HMDB0034233 [1,0,0,0,0,0|0,0,2]=3
1  B6R0.4  CCCOC(C)=O HMDB0034237 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.4  OCCCC([O-])=O HMDB0015507 [0,1,0,0,0,0|1,0,1]=3
3  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3
4  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,0]=2
5  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
6  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,1]=4
7  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [0,2,0,0,0,0|1,0,1]=4
8  B7R0.4  NCCOCC([O-])=O HMDB0060587 [0,2,0,0,0,0|1,0,1]=4
9  B5R1.1  N1C=CN=C1 HMDB0001525 [1,0,0,1,0,0|2,0,0]=4
10  B7R1.4  NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|2,0,0]=4
11  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|2,0,0]=4