0  B5R0.1  CC(C)CCO HMDB0006007 [0,0,0,0,0,0|1,0,2]=3
1  B4R0.1  CC(C)CO HMDB0006006 [1,0,0,0,0,0|1,0,1]=3
2  B4R0.2  CCCCO HMDB0004327 [1,0,0,0,0,0|1,0,2]=4
3  B4R0.2  CSCC=C HMDB0031653 [1,0,0,0,0,0|1,0,2]=4
4  B4R0.2  CSSSC HMDB0013780 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.2  OCCC=O HMDB0003453 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.2  CN(C)CC(O)=O HMDB0000092 [0,1,0,0,0,0|2,0,1]=4
7  B3R0.1  CCCO HMDB0000820 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  CC(C)=O HMDB0001659 [2,0,0,0,0,0|1,0,1]=4
9  B3R0.2  CC(C)O HMDB0000863 [2,0,0,0,0,0|1,0,0]=3
10  B3R0.2  CN(C)C HMDB0000906 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.5  CC(C)C(O)=O HMDB0001873 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.5  CC(O)C(C)O HMDB0003156 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.5  C[C@@H](N)C(O)=O HMDB0001310 [1,1,0,0,0,0|2,0,0]=4
14  B5R0.5  C[C@@H](O)C(O)=O HMDB0001311 [1,1,0,0,0,0|2,0,0]=4
15  B5R1.1  C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,1]=4