0  B6R0.6  CCCCCC=O HMDB0005994 [0,0,0,0,0,0|1,0,2]=3
1  B6R0.6  ClCCNCCCl HMDB0060688 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.6  NCCCCCN HMDB0002322 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.6  OCCNCCO HMDB0004437 [0,0,0,0,0,0|3,0,0]=3
4  B5R0.2  NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.1  CCCCCON=O HMDB0015550 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.4  CCCCCC(=O)O HMDB0000535 [0,1,0,0,0,0|1,0,1]=3
7  B7R0.4  CCCCCC(C)=O HMDB0003671 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.4  NCCCCC(=O)O HMDB0003355 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.7  CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|2,0,1]=4
10  B4R0.2  C=CCSC HMDB0031653 [2,0,0,0,0,0|0,0,2]=4
11  B4R0.2  CSSSC HMDB0013780 [2,0,0,0,0,0|2,0,0]=4
12  B4R0.2  NCCCN HMDB0000002 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.1  CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|1,0,1]=4
14  B6R0.1  CCCC(=O)CO HMDB0059678 [1,1,0,0,0,0|0,0,1]=3
15  B6R0.4  CCCCC(=O)O HMDB0000892 [1,1,0,0,0,0|0,0,1]=3
16  B6R0.4  CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.4  CSCCC(=O)O HMDB0001527 [1,1,0,0,0,0|0,0,1]=3
18  B6R0.4  NCCCC(=O)O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.4  O=C(O)CCCO HMDB0000710 [1,1,0,0,0,0|0,1,1]=4
20  B8R0.4  CCCCCCCCO HMDB0001183 [0,2,0,0,0,0|1,0,0]=3
21  B8R0.7  CC(=O)NCCCCN HMDB0002064 [0,2,0,0,0,0|2,0,0]=4
22  B8R0.7  CCCCCC[N+](=O)O HMDB0013812 [0,2,0,0,0,0|1,0,0]=3
23  B8R0.8  CCCCC(O)C(=O)O HMDB0001624 [0,2,0,0,0,0|1,0,1]=4
24  B8R0.8  CCCC[C@H](N)C(=O)O HMDB0001645 [0,2,0,0,0,0|1,0,1]=4
25  B8R0.8  CSCCC(=O)C(=O)O HMDB0001553 [0,2,0,0,0,0|0,0,2]=4
26  B8R0.8  CSCC[C@H](N)C(=O)O HMDB0000696 [0,2,0,0,0,0|0,0,1]=3
27  B8R0.8  C[Se]CCC(N)C(=O)O HMDB0003966 [0,2,0,0,0,0|0,1,1]=4
28  B8R0.28  CC(O)CCCC(=O)O HMDB0000525 [0,2,0,0,0,0|1,0,1]=4
29  B6R1.1  C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|1,0,0]=3
30  B6R1.1  C1CNCCN1 HMDB0014730 [1,0,0,1,0,0|2,0,0]=4
31  B6R1.1  C1CSCSC1 HMDB0031473 [1,0,0,1,0,0|0,1,0]=3
32  B8R1.72  CC1(O)CCCCC1 HMDB0059693 [0,1,0,1,0,0|1,0,0]=3