0  B4R0.1  CC(=O)C=O HMDB0001167 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CC(=O)CN HMDB0002134 [0,0,0,0,0,0|4,0,0]=4
2  B4R0.1  CC(=O)CO HMDB0006961 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CC(=O)NO HMDB0014691 [0,0,0,0,0,0|2,1,1]=4
4  B4R0.1  CCC(=O)O HMDB0000237 [0,0,0,0,0,0|3,0,1]=4
5  B4R0.1  CCC(C)=O HMDB0000474 [0,0,0,0,0,0|4,0,0]=4
6  B4R0.1  CN(C)C=O HMDB0001888 [0,0,0,0,0,0|3,1,0]=4
7  B4R0.1  NC(=O)NO HMDB0015140 [0,0,0,0,0,0|2,1,1]=4
8  B4R0.1  NCC(=O)O HMDB0000123 [0,0,0,0,0,0|3,0,1]=4
9  B4R0.1  O=C(O)CO HMDB0000115 [0,0,0,0,0,0|2,0,2]=4
10  B4R0.1  O=CC(=O)O HMDB0000119 [0,0,0,0,0,0|2,0,1]=3
11  B3R0.1  C(=O)CCl HMDB0013860 [1,0,0,0,0,0|3,0,0]=4
12  B3R0.1  C=CC=O HMDB0041822 [1,0,0,0,0,0|3,0,0]=4
13  B3R0.2  CC(=O)O HMDB0000042 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  CC(C)=O HMDB0001659 [1,0,0,0,0,0|3,0,0]=4
15  B3R0.2  NC(N)=O HMDB0000294 [1,0,0,0,0,0|2,1,0]=4
16  B3R0.2  O=C(O)O HMDB0000595 [1,0,0,0,0,0|1,0,2]=4
17  B3R0.2  O=S(O)O HMDB0000240 [1,0,0,0,0,0|1,0,2]=4
18  B3R0.2  O=[N+]([O-])[O-] HMDB0002878 [1,0,0,0,0,0|0,1,2]=4
19  B5R0.5  CC(=O)C(=O)O HMDB0000243 [0,1,0,0,0,0|2,0,1]=4
20  B5R0.5  O=C(O)C(=O)O HMDB0002329 [0,1,0,0,0,0|2,0,1]=4
21  B2R0.1  CC=O HMDB0000990 [2,0,0,0,0,0|2,0,0]=4
22  B2R0.1  O=C=O HMDB0001967 [2,0,0,0,0,0|1,0,0]=3
23  B2R0.1  O=CO HMDB0000142 [2,0,0,0,0,0|1,0,1]=4
24  B2R0.1  O=NO HMDB0002786 [2,0,0,0,0,0|0,1,1]=4
25  B4R0.2  O=CCC=O HMDB0006112 [1,1,0,0,0,0|2,0,0]=4
26  B4R0.3  CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|2,0,0]=4
27  B4R0.3  NS(=O)(=O)O HMDB0034830 [1,1,0,0,0,0|1,0,1]=4
28  B4R0.3  O=S(=O)(O)O HMDB0001448 [1,1,0,0,0,0|1,0,1]=4
29  B4R0.3  O=S(=O)(O)S HMDB0000257 [1,1,0,0,0,0|1,0,1]=4
30  B4R0.3  O=[Se](=O)(O)O HMDB0062761 [1,1,0,0,0,0|1,0,1]=4