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|1,0,0]=2
2  B6R0.4  OCCCC([O-])=O HMDB0015507 [0,1,0,0,0,0|1,0,0]=2
3  B6R0.6  ClCCNCCCl HMDB0060688 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.6  OCCNCCO HMDB0004437 [0,1,0,0,0,0|1,0,2]=4
5  B6R1.1  C1CNCCN1 HMDB0014730 [0,0,0,1,0,0|2,0,1]=4
6  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3
7  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4
8  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.3  OCC(S)CS HMDB0015677 [1,1,0,0,0,0|1,0,1]=4
10  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|2,0,0]=4
11  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,0]=3
12  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [0,2,0,0,0,0|1,0,0]=3
13  B7R0.4  CC(C)CCON=O HMDB0001382 [0,2,0,0,0,0|1,0,0]=3
14  B7R0.4  NCCOCC([O-])=O HMDB0060587 [0,2,0,0,0,0|1,0,0]=3
15  B7R0.1  CCCCCON=O HMDB0015550 [0,2,0,0,0,0|0,0,1]=3
16  B5R1.3  ClCC1CO1 HMDB0014796 [1,0,0,1,0,0|1,0,1]=4
17  B7R1.4  NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|2,0,0]=4