0 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 CCCCCCCC=C HMDB0031270 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 CCCCCCCC=O HMDB0001140 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 CCCCCCCCC HMDB0029595 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 CCCCCCCCO HMDB0001183 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.4 CCCCSCCCC HMDB0031660 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.4 NCCCNCCCN HMDB0011634 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.1 CCCCCCCC HMDB0001485 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|1,1,0]=3 17 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|0,1,1]=3 30 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,1,0,0,0,0|1,0,2]=4 33 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,1,0,0,0,0|1,0,2]=4 34 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,1,0,0,0,0|1,0,2]=4 36 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,1,0,0,0,0|1,0,2]=4 38 B9R0.45 CCCCCCCCCC HMDB0031450 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.45 CCCCCCCCCO HMDB0031265 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.45 CCCCSSCCCC HMDB0029569 [0,1,0,0,0,0|0,0,0]=1 41 B9R0.45 CSCCCCCCC#N HMDB0031890 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.45 NCCC/C=N/CCCN HMDB0012925 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.45 NCCCCNCCCN HMDB0001257 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.45 NCCCNCCCC=O HMDB0012135 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,0,0,0,0|1,0,2]=4 49 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,0,0,1,0,0|1,0,0]=2 52 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 54 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|0,0,0]=2 58 B6R0.6 CCCSSSC HMDB0031871 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 CNCCCCN HMDB0003661 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.6 CSCSCSC HMDB0032547 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 NCCCCCN HMDB0002322 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 OCCSCCO HMDB0042033 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 65 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|0,1,1]=4 66 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,1]=3 67 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|0,0,2]=4 68 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,0]=2 69 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|0,1,1]=4 70 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,1,0,0,0,0|0,0,2]=4 71 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|0,0,2]=4 72 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|0,0,1]=3 73 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,0]=2 74 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|0,0,0]=2 75 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|0,1,1]=4 80 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|1,0,1]=4 82 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|1,0,1]=4 83 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|0,1,1]=4 84 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|1,0,0]=3 85 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|1,0,1]=4 86 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|1,0,0]=3 88 B10R0.97 CC(C)CC/N=C/CC(C)C HMDB0032350 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,2,0,0,0,0|0,1,1]=4 90 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|1,0,1]=4 91 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|0,1,1]=4 93 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,2,0,0,0,0|0,1,1]=4 94 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|0,1,1]=4 95 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,2,0,0,0,0|0,1,0]=3 97 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,2,0,0,0,0|1,0,1]=4 98 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,2,0,0,0,0|1,0,0]=3 99 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,2,0,0,0,0|1,0,1]=4 100 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,2,0,0,0,0|1,0,0]=3 101 B10R0.71 CCCCCCCCCC=O HMDB0011623 [0,2,0,0,0,0|1,0,0]=3 102 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,2,0,0,0,0|1,0,0]=3 103 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,2,0,0,0,0|1,0,0]=3 104 B10R0.71 NCCCCCNCCCN HMDB0012189 [0,2,0,0,0,0|2,0,0]=4 105 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,2,0,0,0,0|1,0,0]=3 106 B10R0.71 OCCC=CCCCCCC HMDB0013810 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,2,0,0,0,0|1,0,0]=3 108 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,1]=4 110 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|1,0,1]=4