0  B4R0.1  CN(C)C=O HMDB0001888 [0,0,0,0,0,0|3,1,0]=4
1  B3R0.1  C=CC=O HMDB0041822 [1,0,0,0,0,0|3,0,0]=4
2  B2R0.1  OC=O HMDB0000142 [2,0,0,0,0,0|1,0,1]=4