0  B6R0.6  CCCCCC=O HMDB0005994 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.1  CCCCCON=O HMDB0015550 [0,1,0,0,0,0|1,0,2]=4
2  B7R0.4  CCCCCC(=O)O HMDB0000535 [0,1,0,0,0,0|0,0,2]=3
3  B7R0.4  CCCCCC(C)=O HMDB0003671 [0,1,0,0,0,0|0,0,2]=3
4  B7R0.4  NCCCCC(=O)O HMDB0003355 [0,1,0,0,0,0|1,0,2]=4
5  B7R0.4  NCCOCC(=O)O HMDB0060587 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.7  CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|1,0,2]=4
7  B7R1.1  O=CC1=CC=CO1 HMDB0032914 [0,0,0,1,0,0|1,0,2]=4
8  B7R1.1  OCC1=CC=CO1 HMDB0013742 [0,0,0,1,0,0|1,0,2]=4
9  B7R1.3  CC1=CC=CC=C1 HMDB0034168 [0,0,0,1,0,0|1,0,2]=4
10  B7R1.4  CN1C=CNC1=S HMDB0014901 [0,0,0,1,0,0|2,1,0]=4
11  B4R0.2  C=CCSC HMDB0031653 [2,0,0,0,0,0|1,0,1]=4
12  B4R0.2  O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.1  CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|0,0,2]=4
14  B6R0.1  CCCC(=O)CO HMDB0059678 [1,1,0,0,0,0|0,0,2]=4
15  B6R0.4  C=CCCC(=O)O HMDB0031602 [1,1,0,0,0,0|0,0,2]=4
16  B6R0.4  CCCCC(=O)O HMDB0000892 [1,1,0,0,0,0|0,0,1]=3
17  B6R0.4  CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,1]=3
18  B6R0.4  CSCCC(=O)O HMDB0001527 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.4  NCCCC(=O)O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4
20  B6R0.4  O=C(O)CCCO HMDB0000710 [1,1,0,0,0,0|1,0,1]=4
21  B6R0.4  O=CCCC(=O)O HMDB0001259 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.4  C(=O)C=CCCCCC HMDB0013809 [0,2,0,0,0,0|0,0,2]=4
23  B8R0.8  CCCCC(O)C(=O)O HMDB0001624 [0,2,0,0,0,0|0,0,2]=4
24  B8R0.8  CCCC[C@H](N)C(=O)O HMDB0001645 [0,2,0,0,0,0|0,0,2]=4
25  B8R0.9  CCC(=O)NCC(=O)O HMDB0000783 [0,2,0,0,0,0|1,0,0]=3
26  B8R0.9  NCC(=O)CCC(=O)O HMDB0001149 [0,2,0,0,0,0|1,0,1]=4
27  B8R0.9  NCC(=O)NCC(=O)O HMDB0011733 [0,2,0,0,0,0|2,0,0]=4
28  B8R0.28  CC(O)CCCC(=O)O HMDB0000525 [0,2,0,0,0,0|0,0,2]=4
29  B8R0.28  O=C(O)\C=C\CC(=O)O HMDB0000620 [0,2,0,0,0,0|1,0,1]=4
30  B8R0.28  O=C(O)\C=C\CC(=O)O HMDB0061185 [0,2,0,0,0,0|1,0,1]=4
31  B6R1.2  CC1=CC=CO1 HMDB0013749 [1,0,0,1,0,0|0,0,2]=4
32  B8R1.8  NCCC1=CNC=N1 HMDB0000870 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.4  O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,1,0,0|2,0,0]=4
34  B8R1.7  O=C(O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|1,0,1]=4
35  B8R1.7  O=C(O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|1,0,1]=4