0 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,0,0,0,0,0|0,0,2]=2 5 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,0,0,0,0,0|0,0,0]=1 9 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [1,0,0,0,0,0|0,0,2]=3 11 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [1,0,0,0,0,0|0,0,2]=3 12 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.45 CCCCCCCCCO HMDB0031265 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [1,0,0,0,0,0|0,0,2]=3 23 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,0,0,0,0,0|0,0,0]=1 25 B9R0.46 CCCCCCC(O)CC HMDB0031732 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [1,0,0,0,0,0|1,0,0]=2 27 B11R0.2 CCCCCOC(=O)CC(C)C HMDB0032045 [0,1,0,0,0,0|2,0,0]=3 28 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,1,0,0,0,0|0,0,1]=2 29 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,1,0,0,0,0|0,0,1]=2 32 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,1,0,0,0,0|0,0,1]=2 33 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,1,0,0,0,0|3,0,0]=4 34 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,1,0,0,0,0|1,0,1]=3 36 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,1,0,0,0,0|1,0,0]=2 37 B11R0.4 CCOC(=O)CC/C=C/CC=C HMDB0031156 [0,1,0,0,0,0|0,0,3]=4 38 B11R0.81 CCCCCCC(=O)OCC=C HMDB0040208 [0,1,0,0,0,0|0,0,1]=2 39 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,1,0,0,0,0|0,0,0]=1 40 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [0,0,0,1,0,0|2,0,0]=3 42 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,0,0,1,0,0|1,0,2]=4 43 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.1 CCCCC(=O)OCC HMDB0040297 [2,0,0,0,0,0|0,0,0]=2 45 B8R0.1 CCCOC(=O)CCC HMDB0039618 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.1 CCOC(=O)CCSC HMDB0040413 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.4 CC/C=C\CCCCO HMDB0031298 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|0,0,1]=3 50 B8R0.4 CCCCCCCCO HMDB0001183 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.4 CCCCSCCCC HMDB0031660 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [2,0,0,0,0,0|0,0,2]=4 55 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [2,0,0,0,0,0|0,0,2]=4 56 B8R0.6 CCCCCC(=O)CC HMDB0031295 [2,0,0,0,0,0|0,0,0]=2 57 B8R0.6 CCCCCC(O)CC HMDB0030070 [2,0,0,0,0,0|0,0,2]=4 58 B8R0.6 CCCCOC(=O)CC HMDB0030052 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.6 COC(=O)CCCSC HMDB0037619 [2,0,0,0,0,0|1,0,0]=3 60 B8R0.7 CC(=O)NCCCCN HMDB0002064 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [2,0,0,0,0,0|0,0,2]=4 63 B8R0.7 CCCCCCC(C)=O HMDB0031294 [2,0,0,0,0,0|0,0,0]=2 64 B8R0.7 CCCCCCC(C)C HMDB0031556 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.7 CCCCCCC(C)O HMDB0034261 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.7 CCCCCCC(O)=O HMDB0000666 [2,0,0,0,0,0|0,0,0]=2 67 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [2,0,0,0,0,0|1,0,0]=3 68 B8R0.7 CCCCOCC(O)=O HMDB0041844 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.7 CSCCCOC(C)=O HMDB0031717 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [2,0,0,0,0,0|1,0,1]=4 71 B8R0.7 OCCCCCC(O)=O HMDB0012843 [2,0,0,0,0,0|1,0,0]=3 72 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [1,1,0,0,0,0|0,0,1]=3 73 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [1,1,0,0,0,0|2,0,0]=4 74 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [1,1,0,0,0,0|0,0,0]=2 75 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [1,1,0,0,0,0|1,0,1]=4 78 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [1,1,0,0,0,0|0,0,0]=2 79 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [1,1,0,0,0,0|2,0,0]=4 80 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [1,1,0,0,0,0|2,0,0]=4 81 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [1,1,0,0,0,0|0,0,1]=3 82 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [1,1,0,0,0,0|0,0,0]=2 83 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [1,1,0,0,0,0|0,0,0]=2 84 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [1,1,0,0,0,0|2,0,0]=4 85 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|0,0,2]=4 86 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,1,0,0,0,0|1,0,0]=3 88 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,1,0,0,0,0|2,0,0]=4 89 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.71 OCCC=CCCCCCC HMDB0013810 [1,1,0,0,0,0|1,0,0]=3 92 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,1,0,0,0,0|1,0,1]=4 93 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [1,1,0,0,0,0|0,0,2]=4 95 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [1,1,0,0,0,0|1,0,1]=4 96 B12R0.4 CCCCCCOC(=O)CC(C)C HMDB0032044 [0,2,0,0,0,0|1,0,0]=3 97 B12R0.4 CCCCCCOC(=O)CC(C)S HMDB0032327 [0,2,0,0,0,0|1,0,0]=3 98 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,2,0,0,0,0|0,0,0]=2 99 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,2,0,0,0,0|0,0,0]=2 100 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,2,0,0,0,0|1,0,0]=3 101 B12R0.49 CCCCCCOC(=O)C(C)CC HMDB0039215 [0,2,0,0,0,0|1,0,0]=3 102 B12R0.206 CCCCCCCC(=O)OCC=C HMDB0040593 [0,2,0,0,0,0|0,0,1]=3 103 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [0,2,0,0,0,0|0,0,0]=2 104 B12R0.239 CCOC(=O)CC(O)C/C=C\CC HMDB0030367 [0,2,0,0,0,0|0,0,1]=3 105 B12R0.285 CCCC(S)CCOC(=O)CCC HMDB0038948 [0,2,0,0,0,0|1,0,0]=3 106 B12R0.47 CCCCCCC(=O)OCCCC HMDB0041559 [0,2,0,0,0,0|0,0,0]=2 107 B12R0.47 CCCCCOC(=O)CCCCC HMDB0036229 [0,2,0,0,0,0|2,0,0]=4 108 B12R0.255 CCCCCCC(=O)NCC(O)=O HMDB0013010 [0,2,0,0,0,0|1,0,1]=4 109 B12R0.255 CCCCCCC(=O)OCC(C)C HMDB0034458 [0,2,0,0,0,0|0,0,0]=2 110 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [1,0,0,1,0,0|0,0,0]=2 111 B12R1.7 CCCCCCC1OCC(C)O1 HMDB0032302 [0,1,0,1,0,0|0,0,2]=4 112 B12R1.28 CCCCCC1CCOC(C)O1 HMDB0032155 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.51 CCCC(=O)OCC1CCCO1 HMDB0036188 [0,1,0,1,0,0|2,0,0]=4 115 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,1,0,1,0,0|1,0,1]=4 116 B12R1.567 CCCCCC1=C(C)CCC1=O HMDB0031565 [0,1,0,1,0,0|1,0,1]=4