0 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|0,0,1]=2 16 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,1,0,0,0,0|0,0,2]=3 21 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,1,0,0,0,0|1,0,0]=2 26 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,0,0,1,0,0|2,0,0]=3 31 B6R0.6 CCCC=CC=O HMDB0031496 [2,0,0,0,0,0|1,1,0]=4 32 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,2]=4 34 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|1,1,0]=4 45 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,1,0,0,0,0|0,0,2]=4 50 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|0,0,1]=3 51 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|0,0,1]=3 52 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,1,0,0,0,0|0,0,2]=4 53 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [1,1,0,0,0,0|0,0,2]=4 54 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [1,1,0,0,0,0|0,1,1]=4 55 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,2,0,0,0,0|1,0,0]=3 56 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|0,1,1]=4 58 B10R0.91 C/C=C/C=C/C(=O)OCC=C HMDB0036227 [0,2,0,0,0,0|1,0,1]=4 59 B10R0.91 CCC/C=C/C(=O)OCC=C HMDB0038268 [0,2,0,0,0,0|1,0,1]=4 60 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,1,0,0|1,1,0]=4 62 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,0,0,1,0,0|1,1,0]=4 66 B10R1.256 CCC1=C(O)C(=O)CC1C HMDB0036176 [0,1,0,1,0,0|2,0,0]=4