0 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.1 CCCCCCCC HMDB0001485 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|0,1,0]=2 20 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|1,1,0]=3 26 B7R0.4 CC(O)CCCCO HMDB0031490 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|0,0,0]=1 30 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|0,1,0]=2 31 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.4 CSSCCC(C)C HMDB0032408 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,0,0,0,0|1,0,2]=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|0,0,2]=3 45 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|0,0,0]=1 46 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|1,0,1]=3 47 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|0,0,2]=3 49 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,0,0,0,0|0,0,1]=2 54 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,0,0,0,0|0,0,1]=2 55 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|1,0,2]=4 57 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,0,0,0,0|0,0,3]=4 58 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,1,0,0,0,0|1,0,1]=3 59 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,0,0,1,0,0|2,0,1]=4 71 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 76 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|1,1,0]=4 79 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.6 CNCCCCN HMDB0003661 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.6 NCCCCCN HMDB0002322 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.6 OCCSCCO HMDB0042033 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,2]=4 84 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,1]=4 85 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 87 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,1,0,0,0,0|0,0,1]=3 89 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,1,0,0,0,0|0,0,1]=3 90 B8R0.4 CCCCCCCC=C HMDB0031270 [1,1,0,0,0,0|0,0,1]=3 91 B8R0.4 CCCCCCCC=O HMDB0001140 [1,1,0,0,0,0|0,0,1]=3 92 B8R0.4 CCCCCCCCC HMDB0029595 [1,1,0,0,0,0|0,0,0]=2 93 B8R0.4 CCCCCCCCO HMDB0001183 [1,1,0,0,0,0|0,0,0]=2 94 B8R0.4 CCCCSCCCC HMDB0031660 [1,1,0,0,0,0|0,0,0]=2 95 B8R0.4 NCCCNCCCN HMDB0011634 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,1]=3 97 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,0]=2 99 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,1,0,0,0,0|0,0,0]=2 101 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.9 CC(O)COC(C)CO HMDB0032478 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,1,0,0,0,0|1,0,1]=4 111 B10R0.3 CC(C)CCCC(C)CC=O HMDB0032241 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|1,0,0]=3 113 B10R0.3 CC(CCO)CCCC(C)=C HMDB0037171 [0,2,0,0,0,0|1,0,1]=4 114 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|0,0,0]=2 115 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|1,0,1]=4 116 B10R0.65 CCC(C)(O)CCCC(C)C HMDB0035246 [0,2,0,0,0,0|1,0,0]=3 117 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,2,0,0,0,0|1,0,1]=4 118 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,2,0,0,0,0|0,0,2]=4 119 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|1,0,1]=4 120 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|0,0,2]=4 121 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [0,2,0,0,0,0|1,0,1]=4 123 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,2,0,0,0,0|0,0,2]=4 124 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,2,0,0,0,0|1,0,1]=4 125 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.6 CCCCCC(O)CC(O)=O HMDB0001954 [0,2,0,0,0,0|1,0,1]=4 127 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.6 [C@@H](O)(CCCCC)CC(O)=O HMDB0010722 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|0,0,2]=4 130 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|0,0,2]=4 131 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,2,0,0,0,0|1,0,1]=4 132 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|0,0,1]=3 133 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|0,0,0]=2 134 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.75 CCCCCCC(N)C(O)=O HMDB0000991 [0,2,0,0,0,0|1,0,0]=3 136 B10R0.75 CCCCCCC(O)C(O)=O HMDB0000711 [0,2,0,0,0,0|0,0,1]=3 137 B10R0.75 CCCCCC[C@@H](O)C(O)=O HMDB0002264 [0,2,0,0,0,0|0,0,1]=3 138 B10R0.75 CNCCCC[C@H](N)C(O)=O HMDB0002038 [0,2,0,0,0,0|1,0,1]=4 139 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,2,0,0,0,0|1,0,1]=4 140 B10R0.97 CC(C)CC/N=C/CC(C)C HMDB0032350 [0,2,0,0,0,0|1,0,1]=4 141 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,2,0,0,0,0|0,0,2]=4 142 B10R0.97 CC(O)CCCCCC(O)=O HMDB0000486 [0,2,0,0,0,0|0,0,1]=3 143 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|0,0,2]=4 144 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|0,0,2]=4 145 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,2,0,0,0,0|0,0,0]=2 146 B10R0.86 CCCCCC(CC)C(O)=O HMDB0030331 [0,2,0,0,0,0|1,0,1]=4 147 B10R0.86 CCCCCC(CO)C(C)=O HMDB0037164 [0,2,0,0,0,0|0,0,2]=4 148 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|0,0,2]=4 149 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|0,0,0]=2 152 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [1,0,0,1,0,0|0,1,0]=3 153 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,1,0,1,0,0|1,0,0]=3 154 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,1,0,1,0,0|1,0,0]=3 156 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,1,0,1,0,0|0,1,0]=3 158 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,1,0,0|0,0,0]=2 159 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|0,0,2]=4 160 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|0,0,2]=4 161 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,1,0,1,0,0|0,0,2]=4 162 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,1,0,1,0,0|1,0,1]=4 163 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,1,0,1,0,0|0,0,2]=4 164 B10R2.71 OC1CC2CCC(C1)N2 HMDB0031667 [0,0,0,2,0,0|1,0,0]=3