0 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0013821 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.53 CC(C)CC(O)CC(C)C HMDB0031153 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,0,0,0,0|0,0,3]=4 14 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HMDB0031195 [0,0,0,1,0,0|0,0,2]=3 17 B10R1.329 CC1=CC(C)(C)CC(=O)C1 HMDB0040338 [0,0,0,1,0,0|0,0,2]=3 18 B10R1.329 CC1CC(O)CC(C)(C)C1 HMDB0029557 [0,0,0,1,0,0|0,0,2]=3 19 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,0,0,0,1,0|1,0,1]=3 20 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,0,0,0,1,0|2,0,1]=4 21 B10R0.96 CC(C)CC(=O)NCC(O)=O HMDB0000678 [0,0,0,0,0,1|2,0,1]=4 22 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [2,0,0,0,0,0|0,0,0]=2 23 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.2 COC(=O)CC(C)C HMDB0030027 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.2 COC(=O)CC(C)O HMDB0041603 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.2 COC(=O)CC(C)S HMDB0032409 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.4 CCCCCC(C)O HMDB0033908 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.4 CCCCCC(C)S HMDB0032303 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.4 CCCNCC(C)C HMDB0031244 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|0,0,2]=4 32 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|0,0,0]=2 33 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|1,0,0]=3 38 B11R0.93 CSC(C)CC(=O)OCC(C)C HMDB0032346 [0,1,0,0,0,1|0,0,0]=2 39 B11R0.107 CCC(C)COC(=O)C=C(C)C HMDB0032393 [0,1,0,0,0,1|0,0,2]=4 40 B11R0.300 CC(C)CC(=O)CC(C)(O)C=C HMDB0039149 [0,2,0,0,0,0|0,0,1]=3 41 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.35 CC(C)C1OCC(C)O1 HMDB0032204 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,0,0,1,1,0|0,0,0]=2 44 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [0,1,0,1,0,0|0,0,2]=4 45 B11R1.166 CC(C)C1CCC(C)CC1O HMDB0035765 [0,1,0,1,0,0|0,0,2]=4 46 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [0,1,0,1,0,0|0,0,2]=4 47 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [0,1,0,1,0,0|0,0,2]=4 48 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,1,0,0|0,0,0]=2 49 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O HMDB0035763 [0,1,0,1,0,0|0,0,2]=4 50 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,1,0,0|0,0,0]=2 51 B11R1.166 CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O HMDB0035764 [0,1,0,1,0,0|0,0,2]=4 52 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,1,0,0|0,0,0]=2 53 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 HMDB0035604 [0,1,0,1,0,0|0,0,2]=4 54 B11R1.166 CC1CCC(C(C)=C)C(=O)C1 HMDB0035741 [0,1,0,1,0,0|0,0,2]=4 55 B11R1.325 CC1CC(=O)CC(C)(C)C1=O HMDB0038697 [0,1,0,1,0,0|0,0,1]=3 56 B11R1.1361 CC1=C(O)C(=O)CC(C)(C)C1 HMDB0036177 [0,1,0,1,0,0|0,0,2]=4 57 B11R1.1361 CC1=C(O)C(=O)CC(C)(C)C1 HMDB0036239 [0,1,0,1,0,0|0,0,2]=4 58 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 HMDB0031179 [0,1,0,1,0,0|0,0,0]=2 59 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,1,0|1,0,1]=4 60 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,0,0,0,1,0|1,0,0]=3 61 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,0,0,0,1,0|2,0,0]=4 62 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,1,0|1,0,1]=4 63 B7R0.6 CC(C)SSC(C)C HMDB0029578 [1,0,0,0,1,0|2,0,0]=4 64 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,0,0,0,2,0|1,0,1]=4 65 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,0,0,0,2,0|0,0,0]=2 66 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [1,0,0,0,0,1|0,0,2]=4 67 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [1,0,0,0,0,1|0,0,2]=4 68 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,0,0,0,0,1|0,0,0]=2 69 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,0,0,0,0,1|1,0,0]=3 70 B11R0.6 CC(C)CCOC(=O)C=C(C)C HMDB0040530 [0,0,0,0,0,2|0,0,2]=4 71 B11R0.6 CC(C)CCOC(=O)CC(C)C HMDB0030029 [0,0,0,0,0,2|0,0,0]=2