0 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,0,0,0,0,0|0,0,1]=2 17 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,0,0|0,0,1]=2 19 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.3 CC(CN)C(O)=O HMDB0003911 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,0,0,0,0,0|0,0,0]=1 34 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.3 OC(CS)C(O)=O HMDB0002127 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,1,0,0,0,0|1,0,2]=4 66 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,0,0,1,0,0|1,0,0]=2 67 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,0,0,1,0,0|1,0,2]=4 69 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,0,0,0,0,1|1,0,0]=2 70 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,0,0,0,0,1|1,0,0]=2 71 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,0,0,0,0,1|0,0,0]=1 72 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,0,0,0,0,1|0,0,2]=3 73 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,0,0,0,0,1|1,0,1]=3 74 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,0,0,0,0,1|0,0,2]=3 75 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,0,0,0,0,1|0,0,2]=3 76 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,0,0,0,0,1|1,0,1]=3 77 B8R0.23 OC(=O)C(=O)CS(O)=O HMDB0002332 [0,0,0,0,0,1|3,0,0]=4 78 B8R0.23 OC(=O)C(=O)CS([O-])=O HMDB0001405 [0,0,0,0,0,1|3,0,0]=4 79 B8R0.23 OC(=O)CC(=O)C(O)=O HMDB0000223 [0,0,0,0,0,1|2,0,1]=4 80 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,1]=3 82 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,1]=3 83 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|0,0,1]=3 84 B5R0.1 CC(C)=CCO HMDB0030124 [2,0,0,0,0,0|0,0,2]=4 85 B5R0.1 CC(C)CCO HMDB0006007 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,1]=3 87 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 NCCC(O)=O HMDB0000056 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.1 OCCC(O)=O HMDB0000700 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.3 C/C=C(/C)C=O HMDB0031512 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.3 CCC(=O)C=C HMDB0031607 [2,0,0,0,0,0|1,0,0]=3 99 B5R0.3 CCC(=O)CO HMDB0031507 [2,0,0,0,0,0|0,0,1]=3 100 B5R0.3 CCC(=O)OC HMDB0030062 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 CCC(=O)SC HMDB0031192 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 CCC(C)C=O HMDB0031526 [2,0,0,0,0,0|1,0,1]=4 103 B5R0.3 CC[C@H](C)C=O HMDB0031525 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.3 OCC(=O)CO HMDB0001882 [2,0,0,0,0,0|1,0,1]=4 105 B5R0.5 CC(=C)C(C)=O HMDB0031530 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.5 CC(=O)C(C)=O HMDB0003407 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.5 CC(=O)C(O)=O HMDB0000243 [2,0,0,0,0,0|0,0,0]=2 108 B5R0.5 CC(C)C(O)=O HMDB0001873 [2,0,0,0,0,0|0,0,0]=2 109 B5R0.5 CC(S)C(O)=O HMDB0031520 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [2,0,0,0,0,0|1,0,0]=3 111 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.5 OC(=O)C(O)=O HMDB0002329 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,1,0,0,0,0|0,0,1]=3 116 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|0,0,1]=3 119 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|0,0,1]=3 121 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [1,1,0,0,0,0|0,0,1]=3 128 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|0,0,0]=2 131 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,1,0,0,0,0|0,0,2]=4 133 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,1,0,0,0,0|0,0,0]=2 144 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,1,0,0,0,0|1,0,0]=3 146 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [1,1,0,0,0,0|0,0,2]=4 151 B9R0.23 C/C=C(/C)C(=O)OC(C)C HMDB0037624 [0,1,0,0,0,1|2,0,0]=4 152 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,0,1|0,0,2]=4 153 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,2,0,0,0,0|0,0,0]=2 154 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(O)=O HMDB0012140 [0,2,0,0,0,0|0,0,2]=4 155 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|0,0,1]=3 157 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.4 NC1CCOC1=O HMDB0029387 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,1|1,0,1]=4 161 B9R1.35 OC1CN=C(C1)C(O)=O HMDB0002234 [0,0,0,1,0,1|2,0,0]=4 162 B9R1.69 CC1CNC(=O)NC1=O HMDB0000079 [0,0,0,1,0,1|1,0,0]=3 163 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,1,0,0|0,0,2]=4 165 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|1,0,0]=3 166 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,0,0,0,0,1|1,0,0]=3 167 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,0,0,0,0,1|0,0,0]=2 168 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,1|1,0,1]=4 169 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,1|0,0,1]=3 170 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,1|1,0,1]=4 171 B9R0.7 CC(C)C(=O)NCC(O)=O HMDB0000730 [0,0,0,0,0,2|0,0,0]=2 172 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0006899 [0,0,0,0,0,2|1,0,0]=3 173 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0028687 [0,0,0,0,0,2|1,0,0]=3 174 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [0,0,0,0,0,2|0,0,2]=4 175 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,0,0,0,0,2|2,0,0]=4 176 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,0,0,0,0,2|1,0,0]=3