0 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,0,0,0,0,0|0,0,2]=2 20 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,0,0,0,0,0|0,0,0]=0 22 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|0,1,0]=1 23 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,0,0,0,0,0|0,1,0]=1 24 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,0,0,0,0,0|0,1,0]=1 26 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,0,0,0,0,0|1,1,1]=3 27 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,0,0,0,0,0|1,1,0]=2 29 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,0,0,0,0,0|1,0,1]=2 30 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|0,0,2]=3 52 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|0,0,0]=1 54 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.3 CCC(C)CO HMDB0031527 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 OCC(=O)CO HMDB0001882 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.3 OCC(O)CCl HMDB0031334 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 OCC(O)CO HMDB0000131 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.5 CC(O)C(C)O HMDB0003156 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,0,0,0,0,0|0,0,0]=1 69 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,0,0,0,0,0|0,0,0]=1 71 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.5 OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,1,0,0,0,0|0,1,0]=2 81 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,1,0,0,0,0|0,1,0]=2 82 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|0,1,0]=2 83 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,1,0,0,0,0|0,1,0]=2 84 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [0,1,0,0,0,0|0,0,1]=2 87 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,1,0,0,0,0|0,0,0]=1 88 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [0,1,0,0,0,0|0,1,0]=2 89 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0004136 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.10 OC[C@H](O)[C@H](O)CO HMDB0002994 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.13 CC(O)(CO)C(O)=O HMDB0002601 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.13 CNC(C)(C)C(O)=O HMDB0002141 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,0,0|0,0,0]=1 112 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,1,0,0,0,0|0,0,1]=2 113 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,1,0,0,0,0|1,0,2]=4 114 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.4 NC1CCSC1=O HMDB0002287 [0,0,0,1,0,0|1,1,0]=3 116 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|1,0,0]=2 117 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,0,0,0,0,1|1,0,0]=2 118 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,0,0,0,0,1|2,0,0]=3 119 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,0,0,0,0,1|2,0,0]=3 120 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,0,0,0,0,1|1,0,0]=2 121 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,1,0]=4 125 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 CC(O)CN HMDB0012136 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,0,0]=3 139 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|0,0,0]=2 140 B4R0.1 OC(=O)C#C HMDB0006804 [2,0,0,0,0,0|0,0,2]=4 141 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,2]=4 142 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|0,0,2]=4 143 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|0,0,0]=2 145 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|0,0,2]=4 154 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|0,0,0]=2 156 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|1,1,0]=4 159 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,1,0,0,0,0|0,0,2]=4 161 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|0,0,0]=2 165 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|1,1,0]=4 166 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|0,0,0]=2 168 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|0,0,0]=2 169 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|0,0,1]=3 170 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|1,1,0]=4 176 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|0,1,0]=3 177 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|0,0,1]=3 180 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|0,0,1]=3 181 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,0,0]=2 182 B6R0.5 NCCP(O)(O)=O HMDB0011747 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.5 NCCS(O)(=O)=O HMDB0000251 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.5 OS(=O)(=O)CCS HMDB0003745 [1,1,0,0,0,0|1,1,0]=4 186 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [1,1,0,0,0,0|0,0,0]=2 189 B6R0.7 OC(=O)C(Cl)(Cl)Cl HMDB0042048 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.7 OC(=O)C(F)(F)F HMDB0014118 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,1,0,0,0,1|2,0,0]=4 192 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,1,0,0,0,1|2,0,0]=4 193 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,1,0,0,0,1|2,0,0]=4 194 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,1,0,0,0,1|2,0,0]=4 195 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,1,0,0,0,1|1,0,0]=3 196 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,1,0,0,0,1|1,0,0]=3 197 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,1,0,0,0,1|1,0,0]=3 198 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,1,0,0,0,1|2,0,0]=4 199 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,1,0,0,0,1|1,0,0]=3 200 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,1,0,0,0,1|1,0,1]=4 201 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,1,0,0,0,1|1,0,1]=4 202 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,1,0,0,0,1|0,0,1]=3 203 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,1,0,0,0,1|1,0,1]=4 204 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,1,0,0,0,1|0,0,1]=3 205 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,1,0,0,0,1|1,0,1]=4 206 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,1,0,0,0,1|1,0,1]=4 207 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,1,0,0,0,1|1,0,1]=4 208 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,2,0,0,0,0|1,0,0]=3 213 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|1,1,0]=4 214 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,2,0,0,0,0|0,1,0]=3 215 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|0,0,0]=2 216 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|1,0,0]=3 217 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,2,0,0,0,0|1,0,0]=3 219 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,2,0,0,0,0|0,0,0]=2 220 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,2,0,0,0,0|0,0,1]=3 221 B8R0.14 N[C@@H](CCS)S(O)(=O)=O HMDB0002238 [0,2,0,0,0,0|1,1,0]=4 222 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.36 CCC(O)(CC)C(O)=O HMDB0001975 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.37 CC(C)(C(O)=O)C(O)=O HMDB0002001 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,2,0,0,0,0|1,0,1]=4 228 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|2,0,0]=4 230 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|1,0,0]=3 231 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|1,1,0]=4 232 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,0]=3 233 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,1,0]=4 234 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,1,0,1,0,0|1,1,0]=4 237 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,0,0]=3 241 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,0,0,0,0,2|2,0,0]=4