0  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,0,0,0,0,0|0,0,1]=1
1  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [0,0,0,0,0,0|1,0,1]=2
2  B5R0.5  OC(=O)C(O)=O HMDB0002329 [0,0,0,0,0,0|1,0,1]=2
3  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.1  CC(O)=NN HMDB0060428 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|0,0,1]=2
6  B4R0.1  NC(=O)NO HMDB0015140 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.7  OC(=O)C(F)(F)F HMDB0014118 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.7  OC(=O)P(O)(O)=O HMDB0014670 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [0,0,0,0,0,1|1,0,1]=3
12  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3
13  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4
14  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,0,0]=2
15  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.3  NCC(=O)O[Al] HMDB0015457 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.3  OCC(S)CS HMDB0015677 [1,1,0,0,0,0|0,1,1]=4
18  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,1,0,0,0,1|0,0,0]=2
19  B7R0.16  OC(C(O)=O)C(O)=O HMDB0035227 [0,1,0,0,0,1|1,0,1]=4
20  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,0]=3
21  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [0,2,0,0,0,0|1,0,0]=3
22  B5R1.3  ClCC1CO1 HMDB0014796 [1,0,0,1,0,0|1,0,1]=4
23  B7R1.4  NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|1,0,0]=3
25  B7R1.19  NC1(CC1)C(O)=O HMDB0036458 [0,1,0,1,0,0|1,0,0]=3
26  B7R0.6  CC(O)=NN=C(C)O HMDB0060496 [0,0,0,0,0,2|1,0,1]=4