0 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.4 C=CCCCCN=C=S HMDB0038436 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 CC/C=C/CCCC=O HMDB0039770 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.4 CC/C=C\CCOC=O HMDB0040214 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.4 CCC/C=C/COC=O HMDB0038271 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.4 CCCC/C=C\CCO HMDB0035231 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 CCCCC/C=C\CO HMDB0031296 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.4 CCCCCCCC=C HMDB0031270 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.4 CCCCCCCCC HMDB0029595 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.4 CCCCCCCCO HMDB0001183 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.4 CCCCCCN=C=S HMDB0038432 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.4 CCCCCCOC=O HMDB0032874 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.4 CCCCSCCCC HMDB0031660 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.4 CCCCSSCCC HMDB0033051 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.4 CSCCCCN=C=S HMDB0033764 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.4 CSCCCCSC#N HMDB0038446 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C=CCCCN=C=S HMDB0034300 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 CCCC/C=C/C=C HMDB0040966 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.1 CCCC/C=C/C=O HMDB0033827 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.1 CCCCCN=C=S HMDB0038433 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 CCCCCOC=O HMDB0040327 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 CCCSSCC=C HMDB0033912 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.2 CC(=O)CCCCCC=C HMDB0035926 [0,1,0,0,0,0|0,0,1]=2 38 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.2 CCC/C=C/CCC(C)=O HMDB0034761 [0,1,0,0,0,0|0,0,3]=4 40 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [0,1,0,0,0,0|0,0,3]=4 43 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,0,0,0,0|0,0,1]=2 45 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|0,0,2]=3 46 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|1,0,1]=3 48 B9R0.2 NCCCCCNC(N)=N HMDB0031505 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.5 CCCCCC(=O)/C=C\C HMDB0035916 [0,1,0,0,0,0|0,0,3]=4 50 B9R0.5 CCCCCC(=O)CC=C HMDB0035927 [0,1,0,0,0,0|0,0,1]=2 51 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|0,0,3]=4 52 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|1,0,2]=4 53 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,1,0,0,0,0|1,0,1]=3 57 B9R0.45 C=CCCCCCN=C=S HMDB0038434 [0,1,0,0,0,0|1,0,1]=3 58 B9R0.45 CC/C=C\CC/C=C/C=O HMDB0033857 [0,1,0,0,0,0|0,0,3]=4 59 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [0,1,0,0,0,0|0,0,3]=4 60 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,1,0,0,0,0|1,0,2]=4 62 B9R0.45 CCCC/C=C/C=C\C=O HMDB0031685 [0,1,0,0,0,0|0,0,3]=4 63 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,1,0,0,0,0|1,0,1]=3 64 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,1,0,0,0,0|1,0,2]=4 65 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,1,0,0,0,0|1,0,2]=4 66 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,1,0,0,0,0|0,0,2]=3 67 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [0,1,0,0,0,0|0,0,1]=2 68 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,1,0,0,0,0|0,0,2]=3 69 B9R0.45 CCCCCCCCCC HMDB0031450 [0,1,0,0,0,0|0,0,2]=3 70 B9R0.45 CCCCCCCCCO HMDB0031265 [0,1,0,0,0,0|0,0,2]=3 71 B9R0.45 CCCCCCCOC=O HMDB0034459 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.45 CCCCSSCCCC HMDB0029569 [0,1,0,0,0,0|1,0,2]=4 73 B9R0.45 CSCCCCCCC#N HMDB0031890 [0,1,0,0,0,0|1,0,1]=3 74 B9R0.45 CSCCCCCN=C=S HMDB0031577 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.45 SCCCCCCCCS HMDB0040348 [0,1,0,0,0,0|1,0,1]=3 76 B9R0.46 CCC(=O)CCCCC=C HMDB0034758 [0,1,0,0,0,0|0,0,1]=2 77 B9R0.46 CCCCC/C=C(/C)C=O HMDB0033554 [0,1,0,0,0,0|1,0,2]=4 78 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|0,0,3]=4 79 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,0,0,0,0|1,0,0]=2 81 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,0,0,0,0|0,0,0]=1 82 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|0,0,2]=3 83 B9R0.46 CCCCCOC(C)OC HMDB0038679 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,0,0,1,0,0|1,0,1]=3 85 B9R1.8 O=COC1CCCCC1 HMDB0031351 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.12 CCCCC1=CC=CO1 HMDB0040272 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.12 CCCCC1NCCS1 HMDB0040116 [0,0,0,1,0,0|2,0,1]=4 88 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.6 CCCCCCS HMDB0039806 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.6 CCCCOC=O HMDB0040575 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.6 CSCCCC=O HMDB0037474 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.6 CSCCCCO HMDB0041562 [2,0,0,0,0,0|2,0,0]=4 98 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 100 B8R0.1 CCCS(=O)SCC=C HMDB0032741 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.1 CCCSS(=O)CC=C HMDB0039965 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [1,1,0,0,0,0|0,0,1]=3 105 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,2]=4 106 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|0,0,0]=2 107 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,1]=3 108 B8R0.6 CCCCCC(S)SC HMDB0039783 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,1,0,0,0,0|0,0,0]=2 111 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,1]=3 113 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|0,0,1]=3 114 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.7 CCCCCOC(C)=O HMDB0039095 [1,1,0,0,0,0|1,0,1]=4 116 B10R0.3 CC(C)CCCC(C)CC=O HMDB0032241 [0,2,0,0,0,0|1,0,0]=3 117 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|1,0,1]=4 118 B10R0.3 CC(CCO)CCCC(C)=C HMDB0037171 [0,2,0,0,0,0|1,0,0]=3 119 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|1,0,1]=4 120 B10R0.3 CCCC(S)CCOC(C)=O HMDB0038920 [0,2,0,0,0,0|1,0,1]=4 121 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [0,2,0,0,0,0|0,0,1]=3 122 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,2,0,0,0,0|0,0,1]=3 123 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,2,0,0,0,0|0,0,1]=3 124 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [0,2,0,0,0,0|0,0,2]=4 125 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|0,0,1]=3 126 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|0,0,1]=3 127 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,2,0,0,0,0|0,0,2]=4 128 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|0,0,1]=3 130 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|0,0,1]=3 131 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,2,0,0,0,0|1,0,0]=3 132 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [0,2,0,0,0,0|0,0,2]=4 133 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|0,0,0]=2 134 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|0,0,2]=4 135 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,2,0,0,0,0|1,0,1]=4 136 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,2,0,0,0,0|1,0,0]=3 137 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|1,0,1]=4 139 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [0,2,0,0,0,0|0,0,2]=4 140 B10R0.24 CCCCCC(CC)OC=O HMDB0032454 [0,2,0,0,0,0|2,0,0]=4 141 B10R0.91 CCCCCC(=O)CCC=O HMDB0034716 [0,2,0,0,0,0|1,0,0]=3 142 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,2,0,0,0,0|0,0,1]=3 143 B10R0.91 CCCCCC(=O)SCC=C HMDB0039467 [0,2,0,0,0,0|0,0,1]=3 144 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [0,2,0,0,0,0|0,0,1]=3 145 B10R0.16 CCCCC(CC)CCC=O HMDB0032274 [0,2,0,0,0,0|1,0,0]=3 146 B10R0.71 C=CCCCCCCCC=O HMDB0034848 [0,2,0,0,0,0|0,0,0]=2 147 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [0,2,0,0,0,0|0,0,2]=4 148 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [0,2,0,0,0,0|0,0,2]=4 149 B10R0.71 CCCCC/C=C\C=C\C=O HMDB0036598 [0,2,0,0,0,0|0,0,2]=4 150 B10R0.71 CCCCC/C=C\CCC=C HMDB0041218 [0,2,0,0,0,0|0,0,0]=2 151 B10R0.71 CCCCC/C=C\CCC=O HMDB0041014 [0,2,0,0,0,0|1,0,0]=3 152 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,2,0,0,0,0|1,0,1]=4 153 B10R0.71 CCCCCC/C=C/CC=C HMDB0032712 [0,2,0,0,0,0|0,0,0]=2 154 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,2,0,0,0,0|0,0,2]=4 155 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [0,2,0,0,0,0|0,0,0]=2 156 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,2,0,0,0,0|0,0,0]=2 157 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,2,0,0,0,0|0,0,0]=2 158 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,2,0,0,0,0|0,0,2]=4 159 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,2,0,0,0,0|0,0,2]=4 160 B10R0.71 CCCCCCCCOC=O HMDB0038603 [0,2,0,0,0,0|0,0,1]=3 161 B10R0.71 CSCCCCCCCC#N HMDB0038438 [0,2,0,0,0,0|0,0,2]=4 162 B10R0.71 CSCCCCCCN=C=S HMDB0031574 [0,2,0,0,0,0|1,0,1]=4 163 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,2,0,0,0,0|1,0,1]=4 164 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,2,0,0,0,0|0,0,2]=4 165 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,2,0,0,0,0|1,0,1]=4 166 B10R0.59 CCC(C)CCCC(C)C=O HMDB0037806 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.2 O=CN1CCCCC1 HMDB0031702 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,0]=3 169 B8R1.8 CCCC1NCCS1 HMDB0040058 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.11 CCC1SCCC1=O HMDB0040238 [1,0,0,1,0,0|2,0,0]=4 171 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [0,1,0,1,0,0|1,0,0]=3 172 B10R1.16 CCCCC1CCC(=O)O1 HMDB0035422 [0,1,0,1,0,0|1,0,0]=3 173 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|1,0,1]=4 174 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|1,0,1]=4 175 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,1,0,1,0,0|1,0,0]=3 177 B10R1.21 CCCCCC1=CC=CO1 HMDB0013824 [0,1,0,1,0,0|0,0,2]=4 178 B10R1.21 CCCCCC1=CC=CO1 HMDB0031084 [0,1,0,1,0,0|0,0,2]=4 179 B10R1.21 CCCCCC1=CC=CS1 HMDB0040240 [0,1,0,1,0,0|0,0,2]=4 180 B10R1.21 CCCCCC1=CN=CO1 HMDB0038792 [0,1,0,1,0,0|1,0,1]=4 181 B10R1.21 CCCCCC1=NC=CO1 HMDB0037818 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.21 CCCCCC1=NC=CS1 HMDB0040035 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.21 CCCCCC1NCCS1 HMDB0040057 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.4 CCCC1CCCOC1=O HMDB0037630 [0,1,0,1,0,0|1,0,0]=3 185 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [0,1,0,1,0,0|0,0,2]=4 186 B10R1.94 CCCC1CCC(=O)C1=O HMDB0039651 [0,1,0,1,0,0|1,0,1]=4