0 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [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|0,1,0]=1 7 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,0,0,0,0,0|0,0,0]=1 10 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,0,0,0,0,0|0,1,0]=2 11 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [1,0,0,0,0,0|1,1,0]=3 12 B7R0.4 CC(O)CCCCO HMDB0031490 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|1,1,1]=4 18 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|3,0,0]=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)OCC HMDB0033889 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.7 CCCC(S)CCO HMDB0040152 [1,0,0,0,0,0|1,1,1]=4 22 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.7 CCOC(=O)CCS HMDB0040410 [1,0,0,0,0,0|0,1,0]=2 24 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.7 CCOC(C)OCC HMDB0031644 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.7 CCSC(C)CCO HMDB0032277 [1,0,0,0,0,0|1,1,1]=4 27 B9R0.4 CC(C)CC(=O)OCC=C HMDB0038036 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.34 CCOC(=O)CC(C)SC HMDB0038084 [0,1,0,0,0,0|0,1,0]=2 32 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.34 CC1CC(O)CC(=O)O1 HMDB0033302 [0,0,0,1,0,0|0,0,0]=1 35 B9R1.34 CC1OC(C)OC(C)O1 HMDB0032456 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.34 CC1OC(C)SC(C)O1 HMDB0039653 [0,0,0,1,0,0|2,0,1]=4 37 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,0,0,0,1,0|1,0,2]=4 38 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,0,0,0,1,0|1,0,0]=2 39 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,0,0,0,1,0|0,0,0]=1 40 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,0,0,0,1,0|0,1,0]=2 41 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,0,0,0,1,0|0,0,2]=3 42 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,0,0,0,0,1|2,0,1]=4 43 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,0,0,0,0,1|2,0,1]=4 44 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,0,0,0,0,1|2,0,0]=3 45 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,0,0,0,0,1|1,0,2]=4 46 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,0,0,0,0,1|0,0,2]=3 47 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,0,0,0,0,1|1,0,0]=2 48 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.1 CCC(=O)CSC HMDB0037193 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 CCC(C)CCO HMDB0033676 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 52 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 53 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 54 B6R0.1 CCOC(=O)C=C HMDB0033978 [2,0,0,0,0,0|0,0,2]=4 55 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.2 CC(C)OC(C)=O HMDB0031241 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|0,1,0]=3 64 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 CSCCC(C)O HMDB0041476 [2,0,0,0,0,0|0,1,1]=4 66 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|1,1,0]=4 72 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.19 CCC(C)CC(C)CO HMDB0037791 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,1,0]=3 75 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.23 CC(C)OC(=O)C(C)C HMDB0038227 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,1,0,0,0,0|0,0,1]=3 82 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,1,0,0,0,0|0,0,0]=2 83 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|0,0,0]=2 85 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|0,0,0]=2 86 B8R0.1 CCCSS(=O)CCC HMDB0034394 [1,1,0,0,0,0|1,1,0]=4 87 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,1]=3 88 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.3 CCC(C)C(=O)/C=C\C HMDB0035242 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [1,1,0,0,0,0|0,0,0]=2 94 B10R0.78 CCCOC(=O)CCC(C)=O HMDB0041616 [0,1,0,0,0,1|0,0,2]=4 95 B10R0.96 CC(C)COC(=O)CC(C)C HMDB0038040 [0,1,0,0,0,1|2,0,0]=4 96 B10R0.6 CCCCOC(=O)CC(C)=O HMDB0040447 [0,2,0,0,0,0|0,0,2]=4 97 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|1,0,0]=3 98 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,2,0,0,0,0|1,0,0]=3 99 B10R0.23 CCCC(CC(C)O)C(O)=O HMDB0013900 [0,2,0,0,0,0|1,0,1]=4 100 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|0,0,2]=4 101 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,2,0,0,0,0|0,0,0]=2 102 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|0,0,2]=4 103 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [1,0,0,1,0,0|0,1,1]=4 107 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,0,0,1,0,0|0,0,2]=4 108 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.11 CCC1SCCC1=O HMDB0040238 [1,0,0,1,0,0|1,1,0]=4 110 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,1,0|2,0,0]=4 111 B10R1.8 CC1=CC(=O)CC(CO)O1 HMDB0041427 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.8 CC1CC(=O)C=C(CO)O1 HMDB0041426 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.194 CC(C)C1CCC(=O)C1=O HMDB0039681 [0,1,0,1,0,0|2,0,0]=4 114 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,0,0,1,0|0,0,2]=4 115 B6R0.3 CCC(=O)C(C)S HMDB0035171 [1,0,0,0,1,0|0,1,0]=3 116 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,0,0,0,1,0|1,0,1]=4 117 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,0,0,0,1,0|1,0,0]=3 118 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,0,0,0,0,2|2,0,0]=4