0  B3R0.1  CCCO HMDB0000820 [0,0,0,0,0,0|0,1,0]=1
1  B2R0.1  CC=O HMDB0000990 [1,0,0,0,0,0|0,1,1]=3
2  B2R0.1  CNC HMDB0000087 [1,0,0,0,0,0|1,0,0]=2
3  B2R0.1  CSC HMDB0002303 [1,0,0,0,0,0|1,0,0]=2
4  B2R0.1  OC=O HMDB0000142 [1,0,0,0,0,0|1,1,1]=4
5  B4R0.1  CC(C)CO HMDB0006006 [0,1,0,0,0,0|0,1,0]=2
6  B4R0.1  CCC(O)=O HMDB0000237 [0,1,0,0,0,0|0,1,1]=3
7  B4R0.2  CCCCO HMDB0004327 [0,1,0,0,0,0|0,1,0]=2
8  B4R0.2  CSCC=C HMDB0031653 [0,1,0,0,0,0|0,0,2]=3
9  B4R0.2  CSSSC HMDB0013780 [0,1,0,0,0,0|2,0,0]=3
10  B4R0.2  OCCC=O HMDB0003453 [0,1,0,0,0,0|0,1,1]=3
11  B1R0.1  [H][H] HMDB0001362 [2,0,0,0,0,0|2,0,0]=4
12  B3R0.2  CC(C)=O HMDB0001659 [1,1,0,0,0,0|0,0,1]=3
13  B3R0.2  CC(C)O HMDB0000863 [1,1,0,0,0,0|0,0,0]=2
14  B3R0.2  CC(O)=O HMDB0000042 [1,1,0,0,0,0|0,1,1]=4
15  B3R0.2  CN(C)C HMDB0000906 [1,1,0,0,0,0|1,0,0]=3
16  B5R0.1  CC(C)CCO HMDB0006007 [0,2,0,0,0,0|0,1,0]=3
17  B5R0.1  CCCC(O)=O HMDB0000039 [0,2,0,0,0,0|0,1,0]=3
18  B5R0.1  OCCC(O)=O HMDB0000700 [0,2,0,0,0,0|0,1,1]=4
19  B5R0.5  CC(C)C(O)=O HMDB0001873 [0,2,0,0,0,0|0,1,1]=4
20  B5R0.5  CC(O)C(C)O HMDB0003156 [0,2,0,0,0,0|0,1,0]=3
21  B5R0.5  C[C@@H](N)C(O)=O HMDB0001310 [0,2,0,0,0,0|0,1,1]=4
22  B5R0.5  C[C@@H](O)C(O)=O HMDB0001311 [0,2,0,0,0,0|0,1,1]=4
23  B5R0.2  NCCCCN HMDB0001414 [0,2,0,0,0,0|1,0,0]=3
24  B5R1.1  C1CCNC1 HMDB0031641 [0,1,0,1,0,0|1,0,0]=3