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  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|1,0,2]=4
5  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,0,0,1,0,0|2,0,0]=3
6  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,0]=2
8  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3
9  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,1,0,0,0,0|2,0,0]=4
12  B7R1.1  OCC1=CNN=C1 HMDB0060768 [0,1,0,1,0,0|2,0,0]=4