0  B3R0.1  C(=O)CCl HMDB0013860 [0,0,0,0,0,0|1,1,1]=3
1  B3R0.1  C=CC=O HMDB0041822 [0,0,0,0,0,0|1,1,2]=4
2  B3R0.1  NCCN HMDB0031225 [0,0,0,0,0,0|2,0,0]=2
3  B2R0.1  CC=O HMDB0000990 [1,0,0,0,0,0|0,1,1]=3
4  B2R0.1  CSC HMDB0002303 [1,0,0,0,0,0|2,0,0]=3
5  B2R0.1  O=C=O HMDB0001967 [1,0,0,0,0,0|0,2,1]=4
6  B2R0.1  OC=O HMDB0000142 [1,0,0,0,0,0|0,2,1]=4
7  B1R0.1  C=O HMDB0001426 [2,0,0,0,0,0|0,1,1]=4
8  B1R0.1  CO HMDB0001875 [2,0,0,0,0,0|0,1,0]=3
9  B1R0.1  NN HMDB0012973 [2,0,0,0,0,0|2,0,0]=4
10  B1R0.1  NO HMDB0003338 [2,0,0,0,0,0|1,1,0]=4
11  B3R0.2  CC(O)=O HMDB0000042 [1,1,0,0,0,0|0,1,1]=4