0 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CSSCCC(C)C HMDB0032408 [1,0,0,0,0,0|1,1,1]=4 19 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.7 CCOC(C)OCC HMDB0031644 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,0|0,0,0]=1 26 B9R0.23 C/C=C(/C)C(=O)OC(C)C HMDB0037624 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,1,0,0,0,0|0,0,0]=1 29 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0013821 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,0,0|0,0,0]=1 32 B9R0.53 CC(C)CC(O)CC(C)C HMDB0031153 [0,1,0,0,0,0|1,0,2]=4 33 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,1,0,0,0,0|0,1,2]=4 34 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,0,0,1,0,0|1,0,0]=2 35 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,0,0,0,1,0|2,0,1]=4 36 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,0,0,0,1,0|0,0,0]=1 37 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,0,0,0,1,0|1,0,0]=2 38 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,0,0,0,1,0|1,0,2]=4 39 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,0,0,0,0,1|1,0,1]=3 40 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,0,0,0,0,1|1,0,2]=4 41 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,0,0,0,0,1|1,0,0]=2 42 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,0,0,0,0,1|0,0,0]=1 43 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,0]=2 44 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 46 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [2,0,0,0,0,0|0,0,2]=4 54 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [2,0,0,0,0,0|0,0,2]=4 55 B6R0.2 CC(C)CC(C)=O HMDB0002939 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|0,0,0]=2 57 B6R0.2 CC(C)OC(C)=O HMDB0031241 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.2 CC(O)CC(O)=O HMDB0000357 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.2 CN(C)CC(O)=O HMDB0000092 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 CC(C)COC=O HMDB0031247 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.2 CCC(C)C(C)C(C)C HMDB0030302 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.16 OCC(CC)CC(C)C HMDB0013818 [1,1,0,0,0,0|0,0,2]=4 71 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,0,0]=2 72 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [1,1,0,0,0,0|0,0,1]=3 73 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|0,0,0]=2 81 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|0,0,0]=2 82 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,1]=3 83 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|0,0,0]=2 84 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [1,1,0,0,0,0|0,0,2]=4 87 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [1,1,0,0,0,0|0,0,0]=2 88 B8R0.30 CCOP(O)(=O)OCC HMDB0012209 [1,1,0,0,0,0|2,0,0]=4 89 B10R0.57 C/C=C(/C)C(=O)OCC(C)C HMDB0037629 [0,1,0,0,0,1|1,0,1]=4 90 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|0,0,0]=2 92 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,2,0,0,0,0|0,0,0]=2 93 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|1,0,1]=4 94 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,2,0,0,0,0|1,0,0]=3 96 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|1,0,1]=4 97 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|0,0,2]=4 98 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|0,0,2]=4 100 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [1,0,0,1,0,0|0,1,1]=4 101 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,1,0|1,0,0]=3 102 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,0,0,1,1,0|2,0,0]=4 103 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,1,0,1,0,0|0,0,2]=4 104 B10R1.271 CC1=C(O)C(=O)CC1(C)C HMDB0040526 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HMDB0031195 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.329 CC1=CC(C)(C)CC(=O)C1 HMDB0040338 [0,1,0,1,0,0|1,0,1]=4 107 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,0,0,1,0|1,0,1]=4 108 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,0,0,0,1,0|0,0,0]=2 109 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,0,0,0,1,0|0,0,2]=4 110 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,0,0,0,1,0|0,0,0]=2 111 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,0,0,0,0,2|1,0,0]=3