0  B4R0.1  CC(=O)NO HMDB0014691 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(O)=NN HMDB0060428 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  CC(O)CO HMDB0001881 [0,0,0,0,0,0|1,0,0]=1
3  B4R0.1  NC(=O)NO HMDB0015140 [0,0,0,0,0,0|3,0,1]=4
4  B3R0.1  C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,2]=4
5  B3R0.1  NCCN HMDB0031225 [1,0,0,0,0,0|2,0,0]=3
6  B3R0.2  CC(O)=O HMDB0000042 [1,0,0,0,0,0|1,0,1]=3
7  B3R0.2  CS(C)=O HMDB0002151 [1,0,0,0,0,0|1,0,1]=3
8  B5R0.3  OCC(S)CS HMDB0015677 [0,1,0,0,0,0|1,0,0]=2
9  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,1,0,0,0,0|1,0,2]=4
10  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [0,1,0,0,0,0|1,0,0]=2
11  B5R1.3  ClCC1CO1 HMDB0014796 [0,0,0,1,0,0|2,0,0]=3
12  B2R0.1  CC=O HMDB0000990 [2,0,0,0,0,0|0,0,2]=4
13  B2R0.1  CSC HMDB0002303 [2,0,0,0,0,0|1,0,0]=3
14  B2R0.1  OC=O HMDB0000142 [2,0,0,0,0,0|1,0,1]=4
15  B4R0.3  CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|1,0,1]=4
16  B4R0.3  C[N+](C)(C)[O-] HMDB0000925 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.5  C[N+](C)(C)CCO HMDB0000097 [0,2,0,0,0,0|1,0,0]=3