0  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3
1  B4R0.1  CC(O)=NN HMDB0060428 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.1  NC(=O)NO HMDB0015140 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.2  C/C=C\C=O HMDB0034233 [1,0,0,0,0,0|0,0,0]=1
4  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|1,0,2]=4
6  B6R0.4  CCCOC(C)=O HMDB0034237 [0,1,0,0,0,0|0,0,2]=3
7  B6R0.4  OCCCC([O-])=O HMDB0015507 [0,1,0,0,0,0|1,0,2]=4
8  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,0,0,1,0,0|3,0,0]=4
9  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,1]=4
10  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,0]=2
11  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3
12  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,0,0]=3
13  B5R0.3  NCC(=O)O[Al] HMDB0015457 [1,1,0,0,0,0|2,0,0]=4
14  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,1,0,0,0,0|1,0,1]=4
15  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,1,0,0,0,0|2,0,0]=4
16  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,1]=4
17  B7R0.6  CC(O)=NN=C(C)O HMDB0060496 [0,2,0,0,0,0|1,0,1]=4
18  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|2,0,0]=4