0  B4R0.1  CN(C)C=O HMDB0001888 [1,0,0,0,0,0|1,1,0]=3
1  B3R0.1  C=CC=C HMDB0041792 [2,0,0,0,0,0|0,0,2]=4
2  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,1,1]=4