0  B8R0.21  C[N+](C)(C)CCCC=O HMDB0001345 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.4  CC(C)=CCOC=O HMDB0032490 [1,0,0,0,0,0|0,0,2]=3
2  B7R0.4  CC(C)CCN=C=S HMDB0032341 [1,0,0,0,0,0|1,1,1]=4
3  B7R0.4  CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.4  CSSCCC(C)C HMDB0032408 [1,0,0,0,0,0|2,1,0]=4
5  B9R0.56  CC(=O)OCC[N+](C)(C)C HMDB0000895 [0,1,0,0,0,0|2,0,0]=3
6  B9R0.56  C[N+](C)(C)CCCC(O)=O HMDB0001161 [0,1,0,0,0,0|3,0,0]=4
7  B9R0.56  C[N+](C)(C)CCCC([O-])=O HMDB0006831 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.66  C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,0,0,1,0,0|0,1,0]=2
9  B6R0.4  CC(C)/C=C\C=O HMDB0031196 [2,0,0,0,0,0|0,0,2]=4
10  B6R0.4  CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|0,0,0]=2
11  B6R0.4  CC(C)COC=O HMDB0031247 [2,0,0,0,0,0|0,0,0]=2
12  B6R0.6  CCCC=CC=O HMDB0031496 [2,0,0,0,0,0|1,0,1]=4
13  B6R0.6  CCCCCC=O HMDB0005994 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.6  CCCCON=O HMDB0031329 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.6  NCCCCC=O HMDB0012815 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.5  C[As+](C)(C)CCO HMDB0032683 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.5  C[N+](C)(C)CC=O HMDB0001252 [2,0,0,0,0,0|2,0,0]=4
18  B8R0.28  CC(=C)CCOC(C)=O HMDB0032391 [1,1,0,0,0,0|0,0,2]=4
19  B8R0.28  CC(C)=CCOC(C)=O HMDB0029314 [1,1,0,0,0,0|0,0,2]=4
20  B8R0.28  CC(C)C/C=C/C(C)=O HMDB0032403 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.28  CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|1,0,0]=3
22  B8R0.28  CC(C)CCOC(C)=O HMDB0031528 [1,1,0,0,0,0|0,0,0]=2
23  B8R0.28  CC(O)CCCC(O)=O HMDB0000525 [1,1,0,0,0,0|1,1,0]=4
24  B8R0.28  C[C@@H](O)CCCC(O)=O HMDB0000409 [1,1,0,0,0,0|1,1,0]=4
25  B10R0.60  CCC(=O)OCC[N+](C)(C)C HMDB0013305 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.4  CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|1,1,0]=4