0  B7R0.9  CC(C)(O)CC(=O)O HMDB0000754 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.9  C[As+](C)(C)CC(=O)[O-] HMDB0033206 [0,0,0,0,0,0|0,1,0]=1
2  B7R0.9  C[N+](C)(C)CC(=O)[O-] HMDB0000043 [0,0,0,0,0,0|0,0,0]=0
3  B6R0.2  C=C(C)CC(=O)O HMDB0170858 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.2  CC(=O)CC(=O)O HMDB0000060 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.2  CC(=O)CC(C)C HMDB0002939 [1,0,0,0,0,0|2,0,0]=3
6  B6R0.2  CC(C)=CC(=O)O HMDB0000509 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.2  CC(C)CC(=O)O HMDB0000718 [1,0,0,0,0,0|1,0,1]=3
8  B6R0.2  CC(O)CC(=O)O HMDB0000357 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.2  CN(C)CC(=O)O HMDB0000092 [1,0,0,0,0,0|0,0,2]=3
10  B6R0.2  C[C@@H](O)CC(=O)O HMDB0000011 [1,0,0,0,0,0|2,0,1]=4
11  B6R0.2  C[C@H](O)CC(=O)O HMDB0000442 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.5  C[N+](C)(C)CCO HMDB0000097 [1,0,0,0,0,0|0,0,2]=3
13  B8R0.27  CC(C)(O)[C@@H](O)C(=O)O HMDB0012141 [0,1,0,0,0,0|2,0,1]=4
14  B8R0.27  CC(C)(S)C(N)C(=O)O HMDB0014997 [0,1,0,0,0,0|2,0,1]=4
15  B6R0.7  CC(C)(N)C(=O)O HMDB0001906 [0,0,0,0,1,0|2,0,1]=4
16  B6R0.7  CC(C)(O)C(=O)O HMDB0000729 [0,0,0,0,1,0|2,0,1]=4
17  B5R0.1  CC(C)CC=O HMDB0006478 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.1  CCCC(=O)O HMDB0000039 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.1  CCCC(C)=O HMDB0034235 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.1  CNCC(=O)O HMDB0000271 [2,0,0,0,0,0|0,0,2]=4
21  B7R0.2  CC(CO)CC(=O)O HMDB0002011 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.16  CC(C)C(O)C(=O)O HMDB0000407 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.16  CC(C)[C@H](N)C(=O)O HMDB0000883 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.5  CC(C)C(=O)O HMDB0001873 [1,0,0,0,1,0|1,0,1]=4
25  B7R0.6  CC(=O)CCC(C)C HMDB0031549 [1,0,0,0,0,1|2,0,0]=4
26  B7R0.6  CC(C)CCC(=O)O HMDB0000689 [1,0,0,0,0,1|1,0,1]=4
27  B9R0.56  C[N+](C)(C)CCCC(=O)O HMDB0001161 [0,0,0,0,0,2|0,0,1]=3
28  B9R0.56  C[N+](C)(C)CCOC(N)=O HMDB0014555 [0,0,0,0,0,2|1,0,0]=3