0 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,0,0,0,0|0,0,0]=1 14 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 CCCCCCCCC HMDB0029595 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.4 CCCCCCCCO HMDB0001183 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 CCCCSCCCC HMDB0031660 [1,0,0,0,0,0|0,1,1]=3 21 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,0,0,0,0,0|0,0,0]=1 27 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,0,0,0,0,0|3,0,0]=4 28 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,1,0,0,0,0|0,0,0]=1 29 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,1,0,0,0,0|2,0,0]=3 31 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,1,0,0,0,0|0,0,0]=1 32 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,1,0,0,0,0|0,0,0]=1 35 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,1,0,0,0,0|0,0,0]=1 37 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,1,0,0,0,0|1,0,1]=3 38 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,1,0,0,0,0|0,0,0]=1 42 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,1,0,0,0,0|0,0,0]=1 43 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,1,0,0,0,0|1,0,0]=2 45 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,1,0,0,0,0|2,0,0]=3 46 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.1 CCCCCCCC HMDB0001485 [2,0,0,0,0,0|0,0,1]=3 49 B7R0.1 CCCCCCCO HMDB0031479 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.1 CCCCCCCS HMDB0032304 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.1 CCCCCCOC HMDB0032407 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.1 CCCCOCCO HMDB0031327 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.1 CCCCSSCC HMDB0032180 [2,0,0,0,0,0|1,1,0]=4 54 B7R0.1 CCCSSCCC HMDB0031472 [2,0,0,0,0,0|1,1,0]=4 55 B7R0.3 CCC(=O)OCC=C HMDB0029487 [2,0,0,0,0,0|0,0,2]=4 56 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.3 CCCCC(C)CC HMDB0031583 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|0,0,0]=2 60 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|0,0,2]=4 62 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|0,0,0]=2 63 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|0,0,0]=2 64 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|0,0,0]=2 71 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|0,0,0]=2 72 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [1,1,0,0,0,0|1,1,0]=4 73 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [1,1,0,0,0,0|0,0,2]=4 74 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [1,1,0,0,0,0|0,0,0]=2 75 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [1,1,0,0,0,0|0,1,1]=4 76 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [1,1,0,0,0,0|1,0,0]=3 78 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [1,1,0,0,0,0|0,0,2]=4 79 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [1,1,0,0,0,0|0,0,1]=3 80 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,1,0,0,0,0|0,0,0]=2 81 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.2 CCCCCCCC(C)O HMDB0033916 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.45 CCCCCCCCCC HMDB0031450 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.45 CCCCCCCCCO HMDB0031265 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.45 CCCCSSCCCC HMDB0029569 [1,1,0,0,0,0|0,1,1]=4 90 B9R0.45 NCCC/C=N/CCCN HMDB0012925 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.46 CCCCCCC(O)CC HMDB0031732 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [1,1,0,0,0,0|1,0,1]=4 95 B11R0.2 CCCCCOC(=O)CC(C)C HMDB0032045 [0,2,0,0,0,0|0,0,0]=2 96 B11R0.4 CC/C=C\CCOC(=O)/C=C/C HMDB0032319 [0,2,0,0,0,0|0,0,2]=4 97 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,2,0,0,0,0|2,0,0]=4 98 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,2,0,0,0,0|0,0,0]=2 99 B11R0.4 CCCC(=O)OC/C=C/C=C/C HMDB0032312 [0,2,0,0,0,0|0,0,2]=4 100 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,2,0,0,0,0|0,0,0]=2 101 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,2,0,0,0,0|2,0,0]=4 102 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,2,0,0,0,0|0,0,2]=4 105 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,2,0,0,0,0|0,0,0]=2 106 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.6 CC(C)CCOC(=O)C=C(C)C HMDB0040530 [0,2,0,0,0,0|0,0,2]=4 108 B11R0.6 CC(C)CCOC(=O)CC(C)C HMDB0030029 [0,2,0,0,0,0|0,0,0]=2 109 B11R0.145 CCC(C)C(=O)OCCC(C)C HMDB0040157 [0,2,0,0,0,0|0,0,0]=2 110 B11R0.147 CCCCC(=O)OCCC(C)C HMDB0040529 [0,2,0,0,0,0|0,0,0]=2 111 B11R0.180 CCCC(=O)OCC[N+](C)(C)C HMDB0013223 [0,2,0,0,0,0|1,0,0]=3 112 B11R0.107 CCC(C)COC(=O)C=C(C)C HMDB0032393 [0,2,0,0,0,0|0,0,2]=4 113 B11R0.11 CCCCC(C)C(=C)CCCC HMDB0032236 [0,2,0,0,0,0|2,0,0]=4 114 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,2,0,0,0,0|2,0,0]=4 115 B11R0.120 CCC(C)COC(=O)C(C)CC HMDB0039218 [0,2,0,0,0,0|0,0,0]=2 116 B11R0.46 CCCCCC(=O)OCC(C)C HMDB0036228 [0,2,0,0,0,0|1,0,0]=3 117 B11R0.140 CCCCCC(=O)CCCCC HMDB0030943 [0,2,0,0,0,0|1,0,0]=3 118 B11R0.140 CCCCCC(=O)OCCCC HMDB0040211 [0,2,0,0,0,0|0,0,0]=2 119 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,1,0,0|1,0,1]=4 120 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [0,1,0,1,0,0|0,0,0]=2 121 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,1,0,1,0,0|1,0,1]=4 122 B11R2.678 O=C1CC2CCCC(C1)N2 HMDB0029613 [0,0,0,2,0,0|2,0,0]=4