0  B4R0.1  CC(N)CN HMDB0013136 [1,0,0,0,0,0|3,0,0]=4
1  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|2,0,0]=3
2  B4R0.1  CCC(=O)O HMDB0000237 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  CCC(C)=O HMDB0000474 [1,0,0,0,0,0|1,0,2]=4
4  B4R0.1  CN(C)C=O HMDB0001888 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  C\C(O)=N\N HMDB0060428 [1,0,0,0,0,0|2,0,1]=4
6  B4R0.2  C=CCSC HMDB0031653 [1,0,0,0,0,0|1,1,1]=4
7  B4R0.2  CSSSC HMDB0013780 [1,0,0,0,0,0|1,2,0]=4
8  B6R0.3  CCC(C)C(=O)O HMDB0002176 [0,1,0,0,0,0|3,0,0]=4
9  B6R0.3  CC[C@H](C)C(=O)O HMDB0033742 [0,1,0,0,0,0|3,0,0]=4
10  B6R0.8  COP(=O)(O)OC HMDB0061734 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.8  COP(=S)(S)OC HMDB0061737 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.8  COP(O)(=S)OC HMDB0061735 [0,1,0,0,0,0|2,0,0]=3
13  B3R0.1  CSSC HMDB0005879 [2,0,0,0,0,0|0,2,0]=4
14  B3R0.1  NCCO HMDB0000149 [2,0,0,0,0,0|2,0,0]=4
15  B3R0.2  CC(=O)O HMDB0000042 [2,0,0,0,0,0|0,0,2]=4
16  B3R0.2  CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,2]=4
17  B3R0.2  CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,0]=2
18  B3R0.2  CN(C)C HMDB0000906 [2,0,0,0,0,0|1,0,0]=3
19  B3R0.2  O=C(O)O HMDB0000595 [2,0,0,0,0,0|1,0,1]=4
20  B3R0.2  O=S(O)O HMDB0000240 [2,0,0,0,0,0|2,0,0]=4
21  B5R0.1  CC(C)CC=O HMDB0006478 [1,1,0,0,0,0|1,0,1]=4
22  B5R0.1  CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,0,2]=4
23  B5R0.5  CC(=O)C(C)O HMDB0003243 [1,1,0,0,0,0|1,0,0]=3
24  B5R0.5  CC(C)C(=O)O HMDB0001873 [1,1,0,0,0,0|2,0,0]=4
25  B5R0.5  C[C@@H](O)C(=O)O HMDB0000190 [1,1,0,0,0,0|2,0,0]=4
26  B5R0.5  C[C@@H](O)C(=O)O HMDB0001311 [1,1,0,0,0,0|2,0,0]=4
27  B7R1.2  CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|1,0,1]=4