0  B10R1.256  COC1=C(C)OC(C)C1=O HMDB0034230 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.22  CCC1=C(C)OC(C)=N1 HMDB0037866 [1,0,0,0,0,0|2,0,1]=4
2  B9R1.22  CSC1=C(C)OC(C)=C1 HMDB0040198 [1,0,0,0,0,0|0,1,1]=3
3  B9R1.37  CC1CC(C)C(=O)C1=O HMDB0037027 [1,0,0,0,0,0|1,0,2]=4
4  B9R1.37  CC1OC(=O)C(O)=C1C HMDB0031306 [1,0,0,0,0,0|2,0,0]=3
5  B9R1.37  CC1OC(C)=C(O)C1=O HMDB0040594 [1,0,0,0,0,0|0,0,0]=1
6  B11R1.598  CCOC1=C(C)OC(C)C1=O HMDB0032232 [0,1,0,0,0,0|0,0,0]=1
7  B9R0.35  CCOC(=O)C(C)/C=C\C HMDB0037622 [0,0,1,0,0,0|3,0,0]=4
8  B11R1.72  COC1=C(C)OCC(O)C1=O HMDB0036380 [0,0,0,0,0,1|1,0,0]=2
9  B8R0.2  CCC(=O)C(C)C(O)=O HMDB0000408 [1,0,1,0,0,0|1,0,1]=4
10  B8R0.3  CCC(C)C(=O)/C=C\C HMDB0035242 [1,0,1,0,0,0|1,0,1]=4
11  B8R0.3  CCCC(C)C(=O)OC HMDB0036237 [1,0,1,0,0,0|1,0,1]=4
12  B8R0.3  CCOC(=O)C(/C)=C/C HMDB0038962 [1,0,1,0,0,0|2,0,0]=4
13  B8R1.11  CSC1=C(C)OC=C1 HMDB0036610 [2,0,0,0,0,0|0,1,1]=4
14  B8R1.18  CC1=CC(C)=C(C)O1 HMDB0029721 [2,0,0,0,0,0|0,0,1]=3
15  B8R1.18  CC1=CC(S)=C(C)O1 HMDB0040197 [2,0,0,0,0,0|0,1,1]=4
16  B8R1.18  CC1=NC(C)=C(C)O1 HMDB0040148 [2,0,0,0,0,0|1,0,1]=4
17  B8R1.18  CC1OC(=O)C(C)=C1 HMDB0039778 [2,0,0,0,0,0|1,0,0]=3
18  B8R1.18  CC1OC(C)=CC1=O HMDB0032233 [2,0,0,0,0,0|0,0,0]=2
19  B8R1.18  CC1OC(C)C(C)=N1 HMDB0031199 [2,0,0,0,0,0|1,0,1]=4
20  B8R1.50  CC1=C(O)C(=N)CC1 HMDB0039584 [2,0,0,0,0,0|2,0,0]=4
21  B8R1.50  CC1=C(O)C(=O)CO1 HMDB0031859 [2,0,0,0,0,0|0,0,0]=2
22  B8R1.50  CC1=C(O)C(=O)CS1 HMDB0033548 [2,0,0,0,0,0|0,1,0]=3
23  B8R1.50  CC1=C(S)C(=O)CS1 HMDB0039828 [2,0,0,0,0,0|0,2,0]=4
24  B10R1.59  CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [1,1,0,0,0,0|1,0,1]=4
25  B10R1.130  CSSC1=C(C)OC(C)=C1 HMDB0040200 [1,1,0,0,0,0|0,1,1]=4
26  B10R1.191  CC1C(C)C(=O)C(O)=C1C HMDB0039652 [1,1,0,0,0,0|1,0,0]=3
27  B10R1.271  CC1=C(O)C(=O)C(C)(O)S1 HMDB0035901 [1,1,0,0,0,0|0,1,0]=3
28  B10R1.194  CC(C)C1=CCC(C)C1=O HMDB0036069 [1,1,0,0,0,0|2,0,0]=4
29  B12R1.854  CC1OC(C)=C(OC(C)=O)C1=O HMDB0032966 [0,2,0,0,0,0|0,0,0]=2
30  B12R2.18  CC1CC2=C(NCCC2)C1=O HMDB0039659 [0,1,0,1,0,0|2,0,0]=4
31  B10R1.119  CC1=C(O)C(=O)C(O)=CO1 HMDB0032988 [1,0,0,0,0,1|1,0,1]=4