0 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 CC(O)C(C)O HMDB0003156 [0,0,0,0,0,0|0,0,4]=4 5 B5R0.5 CC(S)C(C)S HMDB0031157 [0,0,0,0,0,0|0,2,2]=4 6 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|0,0,0]=1 14 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|0,0,2]=3 16 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|0,1,1]=3 17 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC(C)C=O HMDB0031243 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,1]=2 20 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|0,0,3]=4 22 B4R0.1 CN(C)N=O HMDB0031419 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CNC(N)=N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 C[C@@H](O)C=O HMDB0006458 [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 C[C@H](O)C=O HMDB0003052 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 NC(=O)C=C HMDB0004296 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 NCC(O)=O HMDB0000123 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 OC(=O)C#C HMDB0006804 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 OC(=O)C=C HMDB0031647 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 OC(=O)C=O HMDB0000119 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 OCC(O)=O HMDB0000115 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,1,0,0,0,0|0,0,0]=1 44 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,0,1|1,0,0]=2 75 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,0,1|1,0,0]=2 76 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,0,1|0,0,0]=1 77 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,0,1|1,0,0]=2 78 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,0,1|0,0,0]=1 79 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,0,1|1,0,0]=2 80 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,0,1|2,0,0]=3 81 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,0,1|1,0,1]=3 82 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,0,1|2,0,1]=4 83 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,0,1|1,0,1]=3 84 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,0,1|2,0,1]=4 85 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,0,1|1,0,2]=4 86 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,0,1|0,1,1]=3 87 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,0,1|3,0,0]=4 88 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,0,1|1,0,2]=4 89 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,0,1|1,0,2]=4 90 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,0,0,0,0,1|2,0,0]=3 91 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,1]=4 92 B3R0.1 C/C=N/O HMDB0003656 [2,0,0,0,0,0|1,0,1]=4 93 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,0,1]=3 94 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.1 CNC=O HMDB0001122 [2,0,0,0,0,0|1,0,0]=3 96 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 97 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 99 B3R0.1 O=CC#C HMDB0006803 [2,0,0,0,0,0|0,0,2]=4 100 B3R0.1 OCC=O HMDB0003344 [2,0,0,0,0,0|0,0,2]=4 101 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,0]=2 102 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,2]=4 103 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,1,1]=4 104 B3R0.2 CC(N)=O HMDB0031645 [2,0,0,0,0,0|1,0,0]=3 105 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,0,1]=3 106 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|0,1,0]=3 107 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|1,0,1]=4 108 B3R0.2 C[S+](C)C HMDB0012295 [2,0,0,0,0,0|2,0,0]=4 109 B3R0.2 C[Se+](C)C HMDB0042052 [2,0,0,0,0,0|2,0,0]=4 110 B3R0.2 ClC(Cl)=C HMDB0032554 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.2 NC(O)=O HMDB0003551 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.2 OC(O)=O HMDB0003538 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.2 OC([O-])=O HMDB0000595 [2,0,0,0,0,0|1,0,1]=4 115 B3R0.2 [O-]C([O-])=O HMDB0031453 [2,0,0,0,0,0|1,0,1]=4 116 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [2,0,0,0,0,0|2,0,0]=4 117 B3R0.2 [O-][I](=O)=O HMDB0001061 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,1,0,0,0,0|0,0,0]=2 119 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.1 CC(=C)CCO HMDB0030126 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 CC(=O)CC=C HMDB0031606 [1,1,0,0,0,0|0,0,1]=3 123 B5R0.1 CC(=O)OC=C HMDB0031209 [1,1,0,0,0,0|0,0,1]=3 124 B5R0.1 CC(C)=CC=O HMDB0012157 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.1 CC(C)=CCO HMDB0030124 [1,1,0,0,0,0|1,0,0]=3 126 B5R0.1 CC(C)=CCS HMDB0031529 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.1 CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 CCNC(C)=O HMDB0031215 [1,1,0,0,0,0|0,0,1]=3 129 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,0,1]=3 130 B5R0.1 CCOC(N)=O HMDB0031219 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.1 CCOC(O)=O HMDB0031232 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.1 CCSC(C)=O HMDB0031190 [1,1,0,0,0,0|0,0,1]=3 133 B5R0.1 CNCC(O)=O HMDB0000271 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 COCC(O)=O HMDB0041929 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 NCCC(O)=O HMDB0000056 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.1 OC(=O)CC=O HMDB0011111 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.1 OC(=O)CCI HMDB0031252 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.1 OCCC(O)=O HMDB0000700 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,1,0,0,0,0|0,0,0]=2 140 B5R0.3 CCC(=O)C=C HMDB0031607 [1,1,0,0,0,0|0,0,1]=3 141 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,1]=3 142 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|0,0,1]=3 143 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|0,0,1]=3 144 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,2]=4 145 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,2]=4 146 B5R0.3 CNC(=O)NC HMDB0029198 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.3 COC(=O)OC HMDB0029580 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.3 OCC(=O)CO HMDB0001882 [1,1,0,0,0,0|0,0,2]=4 149 B5R0.3 OCC(O)C=O HMDB0001051 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.4 CSS(C)(=O)=O HMDB0031832 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,1|1,0,1]=4 152 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,1|1,0,1]=4 153 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,1|0,0,0]=2 154 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,1|1,0,1]=4 155 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,1|0,0,2]=4 156 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,1|0,1,1]=4 157 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,1|0,1,1]=4 158 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,0,1|0,0,2]=4 159 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,0,1|0,1,1]=4 160 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,0,1|2,0,0]=4 161 B7R0.9 CC(=O)OP(O)(O)=O HMDB0001494 [0,1,0,0,0,1|2,0,0]=4 162 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,1|1,0,0]=3 163 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,1|1,0,0]=3 164 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,1,0,0,0,1|1,0,0]=3 165 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,1,0,0,0,1|2,0,0]=4 166 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,1|1,0,1]=4 167 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,1,0,0,0,1|2,0,0]=4 168 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,1,0,0,0,1|2,0,0]=4 169 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,2,0,0,0,0|0,0,0]=2 171 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,2,0,0,0,0|0,1,1]=4 174 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,2,0,0,0,0|0,0,2]=4 175 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,2,0,0,0,0|1,0,0]=3 177 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,2,0,0,0,0|0,0,0]=2 178 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,2,0,0,0,0|0,0,2]=4 180 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,1|1,0,0]=3 181 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,1|0,0,0]=2 182 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.4 NC1CCSC1=O HMDB0002287 [0,1,0,1,0,0|1,0,1]=4 185 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,2|1,0,0]=3 186 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,2|1,0,0]=3 187 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,2|1,0,0]=3 188 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,2|1,0,1]=4 189 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,2|1,0,1]=4 190 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,2|1,0,1]=4 191 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,0,0,0,2|2,0,0]=4 192 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,0,0,0,2|2,0,0]=4 193 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [0,0,0,0,0,2|2,0,0]=4