0 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(O)C(C)O HMDB0003156 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.5 CC(S)C(C)S HMDB0031157 [0,0,0,0,0,0|0,2,1]=3 6 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|0,1,0]=2 17 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(C)C=O HMDB0031243 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CC(C)CO HMDB0006006 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(C)CS HMDB0031245 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 CC(Cl)CO HMDB0031335 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(O)CN HMDB0012136 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(S)CS HMDB0031631 [1,0,0,0,0,0|0,2,1]=4 25 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,0]=1 26 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|0,0,1]=2 28 B4R0.1 CN(C)N=O HMDB0031419 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CNC(N)=N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 C[C@@H](O)C=O HMDB0006458 [1,0,0,0,0,0|0,0,0]=1 33 B4R0.1 C[C@H](O)C=O HMDB0003052 [1,0,0,0,0,0|0,0,0]=1 34 B4R0.1 C[C@H](O)CO HMDB0006213 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.1 NC(=O)C=C HMDB0004296 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 NCC(O)=O HMDB0000123 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 OC(=O)C#C HMDB0006804 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 OC(=O)C=C HMDB0031647 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 OC(=O)C=O HMDB0000119 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 OCC(O)=O HMDB0000115 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,1,0,0,0,0|0,0,2]=3 50 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.7 OC(=O)C(Cl)(Cl)Cl HMDB0042048 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.7 OC(=O)C(F)(F)F HMDB0014118 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,0,1|1,0,1]=3 84 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,0,1|1,0,1]=3 85 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,0,1|0,0,2]=3 86 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,0,1|1,0,1]=3 87 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,0,1|0,0,2]=3 88 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,0,1|1,0,1]=3 89 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,0,1|2,0,1]=4 90 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,0,1|1,0,0]=2 91 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,0,1|2,0,0]=3 92 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,0,1|1,0,0]=2 93 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,0,0,0,1|2,0,1]=4 94 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,0,1|2,0,0]=3 95 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,0,1|1,0,0]=2 96 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,0,1|0,1,0]=2 97 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,0,1|3,0,0]=4 98 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,0,1|1,0,0]=2 99 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,0,1|1,0,0]=2 100 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,0,0,0,0,1|2,0,1]=4 101 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 102 B3R0.1 C/C=N/O HMDB0003656 [2,0,0,0,0,0|1,0,0]=3 103 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,0,0]=2 104 B3R0.1 CCCO HMDB0000820 [2,0,0,0,0,0|0,0,1]=3 105 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,0]=3 106 B3R0.1 CNC=O HMDB0001122 [2,0,0,0,0,0|1,0,0]=3 107 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 108 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 109 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,1,0]=4 110 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 NCCO HMDB0000149 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 O=CC#C HMDB0006803 [2,0,0,0,0,0|0,0,2]=4 114 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|0,0,1]=3 115 B3R0.1 OCC=O HMDB0003344 [2,0,0,0,0,0|0,0,0]=2 116 B3R0.1 OCCO HMDB0032262 [2,0,0,0,0,0|0,0,2]=4 117 B3R0.1 SCC=C HMDB0031635 [2,0,0,0,0,0|0,1,1]=4 118 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,0]=2 119 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,0]=2 120 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,1,0]=3 121 B3R0.2 CC(N)=O HMDB0031645 [2,0,0,0,0,0|1,0,0]=3 122 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,0,0]=2 123 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|0,1,0]=3 124 B3R0.2 CC(S)S HMDB0032253 [2,0,0,0,0,0|0,2,0]=4 125 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|1,0,0]=3 126 B3R0.2 C[As](O)O HMDB0012259 [2,0,0,0,0,0|1,0,1]=4 127 B3R0.2 C[S+](C)C HMDB0012295 [2,0,0,0,0,0|2,0,0]=4 128 B3R0.2 C[Se+](C)C HMDB0042052 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 130 B3R0.2 NC(O)=O HMDB0003551 [2,0,0,0,0,0|1,0,0]=3 131 B3R0.2 OC(O)=O HMDB0003538 [2,0,0,0,0,0|1,0,0]=3 132 B3R0.2 OC([O-])=O HMDB0000595 [2,0,0,0,0,0|1,0,0]=3 133 B3R0.2 OS([O-])=O HMDB0001033 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.2 [O-]C([O-])=O HMDB0031453 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,1,0,0,0,0|0,0,1]=3 136 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.1 CC(=C)CCO HMDB0030126 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.1 CC(=O)CC=C HMDB0031606 [1,1,0,0,0,0|0,0,1]=3 140 B5R0.1 CC(=O)OC=C HMDB0031209 [1,1,0,0,0,0|0,0,2]=4 141 B5R0.1 CC(C)=CC=O HMDB0012157 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.1 CC(C)=CCO HMDB0030124 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CC(C)=CCS HMDB0031529 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CC(C)CCN HMDB0031659 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.1 CC(C)CCO HMDB0006007 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 CC(O)CCO HMDB0031320 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.1 CCNC(C)=O HMDB0031215 [1,1,0,0,0,0|0,0,0]=2 149 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,0,0]=2 150 B5R0.1 CCOC(N)=O HMDB0031219 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.1 CCOC(O)=O HMDB0031232 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.1 CCSC(C)=O HMDB0031190 [1,1,0,0,0,0|0,0,0]=2 153 B5R0.1 CN(C)CCO HMDB0032231 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.1 CNCC(O)=O HMDB0000271 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.1 COCC(O)=O HMDB0041929 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.1 NCCC(O)=O HMDB0000056 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.1 NCCS(O)=O HMDB0000965 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 OC(=O)CC=O HMDB0011111 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 OC(=O)CCI HMDB0031252 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.1 OCCC(O)=O HMDB0000700 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,1,0,0,0,0|0,0,1]=3 162 B5R0.3 CCC(=O)C=C HMDB0031607 [1,1,0,0,0,0|0,0,1]=3 163 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,0]=2 164 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|0,0,0]=2 165 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|0,0,0]=2 166 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,1]=3 167 B5R0.3 CCC(C)CN HMDB0032392 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.3 CCC(C)CO HMDB0031527 [1,1,0,0,0,0|0,0,1]=3 169 B5R0.3 CCC(O)C=C HMDB0031605 [1,1,0,0,0,0|0,0,1]=3 170 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,1]=3 171 B5R0.3 CNC(=O)NC HMDB0029198 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.3 COC(=O)OC HMDB0029580 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.3 COC(C)OC HMDB0030061 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.3 OCC(=O)CO HMDB0001882 [1,1,0,0,0,0|0,0,0]=2 175 B5R0.3 OCC(O)C=O HMDB0001051 [1,1,0,0,0,0|0,0,0]=2 176 B5R0.3 OCC(O)CCl HMDB0031334 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.3 OCC(O)CO HMDB0000131 [1,1,0,0,0,0|0,0,2]=4 178 B5R0.4 CSS(C)(=O)=O HMDB0031832 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,1|1,0,0]=3 180 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,1|1,0,0]=3 181 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,1|1,0,0]=3 182 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,1|2,0,0]=4 183 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,1,0,0,0,1|1,0,0]=3 184 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,1|0,0,2]=4 185 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,1|1,0,0]=3 186 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,1|0,0,0]=2 187 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,1|0,1,0]=3 188 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,1|0,1,0]=3 189 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,1,0,0,0,1|1,0,0]=3 190 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,0,1|0,0,0]=2 191 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,0,1|0,1,0]=3 192 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,0,1|2,0,0]=4 193 B7R0.9 CC(=O)OP(O)(O)=O HMDB0001494 [0,1,0,0,0,1|2,0,0]=4 194 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,0,0,0,1|1,0,0]=3 195 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,1,0,0,0,1|0,1,1]=4 196 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,1|1,0,1]=4 197 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,1|1,0,1]=4 198 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,1|1,0,0]=3 199 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,1|2,0,0]=4 200 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,1|2,0,0]=4 201 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,0,1|1,0,0]=3 202 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,0,1|1,0,0]=3 203 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,0,1|1,0,0]=3 204 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,0,1|1,0,0]=3 205 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,0,1|1,0,0]=3 206 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,0,1|1,0,0]=3 207 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,0,1|1,0,0]=3 208 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,2,0,0,0,0|0,1,0]=3 217 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0004136 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,2,0,0,0,0|0,0,0]=2 232 B7R0.10 OC[C@H](O)[C@H](O)CO HMDB0002994 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.10 O[C@@H](CS)[C@@H](O)CS HMDB0013593 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.13 CC(O)(CO)C(O)=O HMDB0002601 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.13 CNC(C)(C)C(O)=O HMDB0002141 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,2,0,0,0,0|1,0,0]=3 239 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,1|1,0,1]=4 240 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,1|2,0,0]=4 241 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,1|1,0,1]=4 242 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,1|1,0,1]=4 243 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,1|0,0,2]=4 244 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.4 NC1CCSC1=O HMDB0002287 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,1,0,1,0,0|2,0,0]=4 248 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,2|1,0,1]=4 249 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,2|1,0,1]=4 250 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,2|1,0,1]=4 251 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,2|1,0,0]=3 252 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,2|2,0,0]=4 253 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,2|1,0,0]=3 254 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,2|2,0,0]=4 255 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,2|1,0,0]=3