0  B7R1.2  CC1=CC=C(C)O1 HMDB0033182 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.2  CC1CCC(=O)O1 HMDB0033840 [0,0,0,0,0,0|1,0,1]=2
2  B6R1.2  CC1=CC=CO1 HMDB0013749 [1,0,0,0,0,0|1,0,1]=3
3  B6R1.2  CC1=CNN=C1 HMDB0015344 [1,0,0,0,0,0|2,0,1]=4
4  B8R1.18  CN1CC(=O)NC1=N HMDB0000562 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.18  CN1CC(=O)NC1=O HMDB0003646 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.51  CC1=CCS(=O)(=O)C1 HMDB0059667 [0,1,0,0,0,0|1,0,2]=4
7  B6R0.1  CCCC(=O)CC HMDB0000753 [0,0,1,0,0,0|0,0,2]=3
8  B6R0.1  CCCC(=O)CO HMDB0059678 [0,0,1,0,0,0|1,0,2]=4
9  B6R0.2  C=C(C)CC(=O)O HMDB0170858 [0,0,1,0,0,0|1,0,2]=4
10  B6R0.2  CC(=O)CC(=O)O HMDB0000060 [0,0,1,0,0,0|2,0,1]=4
11  B6R0.2  CC(=O)CC(C)C HMDB0002939 [0,0,1,0,0,0|0,0,2]=3
12  B6R0.2  CC(C)=CC(=O)O HMDB0000509 [0,0,1,0,0,0|1,0,0]=2
13  B6R0.2  CC(C)CC(=O)O HMDB0000718 [0,0,1,0,0,0|1,0,2]=4
14  B6R0.2  CN(C)CC(=O)O HMDB0000092 [0,0,1,0,0,0|2,0,1]=4
15  B6R0.4  C=CCCC(=O)O HMDB0031602 [0,0,1,0,0,0|1,0,1]=3
16  B6R0.4  CCCCC(=O)O HMDB0000892 [0,0,1,0,0,0|1,0,1]=3
17  B6R0.4  CCCCC(C)=O HMDB0005842 [0,0,1,0,0,0|0,0,2]=3
18  B6R0.4  CSCCC(=O)O HMDB0001527 [0,0,1,0,0,0|2,0,0]=3
19  B6R0.4  NCCCC(=O)O HMDB0000112 [0,0,1,0,0,0|2,0,1]=4
20  B6R0.4  O=C(O)CCCO HMDB0000710 [0,0,1,0,0,0|2,0,1]=4
21  B6R0.4  O=CCCC(=O)O HMDB0001259 [0,0,1,0,0,0|2,0,0]=3
22  B8R1.3  CC1=CC=C(O)C=C1 HMDB0001858 [0,0,0,0,0,1|0,0,3]=4
23  B8R1.3  O=C1C=CC(=O)C=C1 HMDB0003364 [0,0,0,0,0,1|1,0,2]=4
24  B8R1.4  CC1=CC=CC(O)=C1 HMDB0002048 [0,0,0,0,0,1|0,0,3]=4
25  B8R1.4  O=C1CCNC(=O)N1 HMDB0000076 [0,0,0,0,0,1|2,0,0]=3
26  B5R0.1  CC(C)CC=O HMDB0006478 [1,0,1,0,0,0|0,0,2]=4
27  B5R0.1  CCCC(=O)O HMDB0000039 [1,0,1,0,0,0|1,0,0]=3
28  B5R0.1  CCCC(C)=O HMDB0034235 [1,0,1,0,0,0|0,0,1]=3
29  B5R0.1  CCOC(C)=O HMDB0031217 [1,0,1,0,0,0|1,0,1]=4
30  B5R0.1  CNCC(=O)O HMDB0000271 [1,0,1,0,0,0|2,0,0]=4
31  B5R0.1  NCCC(=O)O HMDB0000056 [1,0,1,0,0,0|2,0,0]=4
32  B5R0.1  O=C(O)CCO HMDB0000700 [1,0,1,0,0,0|2,0,0]=4
33  B5R1.1  C1=COC=C1 HMDB0013785 [2,0,0,0,0,0|1,0,1]=4
34  B7R0.7  CCCC(=O)CCC HMDB0004814 [0,1,1,0,0,0|0,0,2]=4
35  B7R0.16  CC(C)C(=O)C(=O)O HMDB0000019 [0,1,1,0,0,0|1,0,1]=4
36  B7R0.4  CCCCCC(=O)O HMDB0000535 [0,1,1,0,0,0|1,0,1]=4
37  B7R0.4  CCCCCC(C)=O HMDB0003671 [0,1,1,0,0,0|0,0,2]=4
38  B7R0.4  NCCCCC(=O)O HMDB0003355 [0,1,1,0,0,0|1,0,1]=4
39  B7R0.6  CC(=O)CCC(=O)O HMDB0000720 [0,1,1,0,0,0|1,0,0]=3
40  B7R0.6  CC(=O)CCC(C)C HMDB0031549 [0,1,1,0,0,0|0,0,2]=4
41  B7R0.6  CC(=O)NCC(=O)O HMDB0000532 [0,1,1,0,0,0|2,0,0]=4
42  B7R0.6  CC(C)CCC(=O)O HMDB0000689 [0,1,1,0,0,0|0,0,2]=4
43  B7R0.6  O=C(O)CCC(=O)O HMDB0000254 [0,1,1,0,0,0|2,0,0]=4
44  B7R1.1  O=CC1=CC=CO1 HMDB0032914 [1,1,0,0,0,0|1,0,1]=4
45  B7R1.1  OCC1=CC=CO1 HMDB0013742 [1,1,0,0,0,0|1,0,1]=4
46  B7R1.4  CC1=CSC=C1C HMDB0032980 [1,1,0,0,0,0|1,0,1]=4
47  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [1,1,0,0,0,0|2,0,0]=4
48  B9R1.69  CC1=CNC(=O)NC1=O HMDB0000262 [0,1,0,0,0,1|1,0,1]=4
49  B9R1.69  CC1CNC(=O)NC1=O HMDB0000079 [0,1,0,0,0,1|1,0,1]=4
50  B9R1.66  C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,1,0,0,0,1|0,0,2]=4
51  B9R1.37  CC1=C(O)C(=O)OC1C HMDB0031306 [0,2,0,0,0,0|1,0,0]=3
52  B5R0.5  CC(=O)C(=O)O HMDB0000243 [0,0,1,0,1,0|2,0,0]=4
53  B5R0.5  CC(=O)C(C)O HMDB0003243 [0,0,1,0,1,0|1,0,1]=4
54  B5R0.5  CC(C)C(=O)O HMDB0001873 [0,0,1,0,1,0|1,0,1]=4