0 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CC/C=C/C/C=C\CO HMDB0040146 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,0,0,0,0,0|0,0,4]=4 8 B8R0.4 CCCCCCCC=C HMDB0031270 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.4 CCCCCCCC=O HMDB0001140 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.4 CCCCCCCCC HMDB0029595 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.4 CCCCCCCCO HMDB0001183 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.4 CCCCSCCCC HMDB0031660 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.4 NCCCNCCCN HMDB0011634 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|0,0,3]=4 20 B7R0.1 CCCCCCCC HMDB0001485 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|0,0,1]=2 22 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|0,1,1]=3 23 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|1,1,1]=4 29 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,0,0,0,0|0,0,3]=4 30 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,0,0,0,0|0,0,3]=4 31 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,1,0,0,0,0|0,0,3]=4 32 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|0,0,2]=3 33 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|0,0,3]=4 34 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|0,0,1]=2 38 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,1,0,0,0,0|0,0,2]=3 40 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,1,0,0,0,0|2,0,0]=3 43 B9R0.45 CC/C=C\C/C=C\CC=O HMDB0031152 [0,1,0,0,0,0|0,0,3]=4 44 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [0,1,0,0,0,0|0,0,1]=2 45 B9R0.45 CC/C=C\CC/C=C\CO HMDB0031262 [0,1,0,0,0,0|0,0,3]=4 46 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,1,0,0,0,0|0,0,3]=4 47 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [0,1,0,0,0,0|0,0,1]=2 48 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,1,0,0,0,0|0,0,1]=2 49 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [0,1,0,0,0,0|0,0,1]=2 50 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,1,0,0,0,0|0,0,0]=1 51 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,1,0,0,0,0|0,0,0]=1 52 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,1,0,0,0,0|0,0,2]=3 54 B9R0.45 CCCCCCCCCC HMDB0031450 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.45 CCCCCCCCCO HMDB0031265 [0,1,0,0,0,0|0,0,2]=3 56 B9R0.45 CCCCSSCCCC HMDB0029569 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.45 NCCC/C=N/CCCN HMDB0012925 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.45 NCCCCNCCCN HMDB0001257 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,0,0,1,0,0|1,0,2]=4 62 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.6 CC/C=C\CC=O HMDB0031498 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|0,0,0]=2 65 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|0,0,0]=2 66 B6R0.6 CCC=CCC=O HMDB0031497 [2,0,0,0,0,0|0,0,2]=4 67 B6R0.6 CCCC=CC=O HMDB0031496 [2,0,0,0,0,0|0,0,2]=4 68 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,2]=4 69 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,1]=3 70 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|0,0,0]=2 72 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|1,1,0]=4 73 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.6 CNCCCCN HMDB0003661 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.6 NCCCCCN HMDB0002322 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 OCCSCCO HMDB0042033 [2,0,0,0,0,0|2,0,0]=4 77 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,1,0,0,0,0|0,0,1]=3 85 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,1]=3 87 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,2]=4 88 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|0,0,0]=2 91 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,1,0,0,0,0|0,0,1]=3 92 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|0,0,1]=3 94 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|0,0,2]=4 95 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,1,0,0,0,0|1,0,1]=4 97 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|0,0,2]=4 98 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|0,0,2]=4 99 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|2,0,0]=4 100 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [0,2,0,0,0,0|0,0,2]=4 101 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|0,0,2]=4 102 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,2,0,0,0,0|0,0,2]=4 103 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,2,0,0,0,0|1,0,1]=4 105 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|0,0,2]=4 106 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|0,0,2]=4 107 B10R0.78 CCCCC(=O)NCC(O)=O HMDB0000927 [0,2,0,0,0,0|1,0,1]=4 108 B10R0.97 CC(C)CC/N=C/CC(C)C HMDB0032350 [0,2,0,0,0,0|2,0,0]=4 109 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,2,0,0,0,0|2,0,0]=4 110 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|0,0,1]=3 111 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,2,0,0,0,0|2,0,0]=4 113 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|2,0,0]=4 114 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|1,0,1]=4 115 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,2,0,0,0,0|1,0,1]=4 116 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [0,2,0,0,0,0|0,0,1]=3 117 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,2,0,0,0,0|0,0,0]=2 118 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,2,0,0,0,0|1,0,0]=3 119 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,2,0,0,0,0|0,0,2]=4 120 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,2,0,0,0,0|0,0,2]=4 121 B10R0.71 OCCC=CCCCCCC HMDB0013810 [0,2,0,0,0,0|0,0,0]=2 122 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.21 CCCCCC1=CC=CO1 HMDB0013824 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.21 CCCCCC1=CC=CO1 HMDB0031084 [0,1,0,1,0,0|0,0,2]=4