0 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.3 CCC(=O)C=C HMDB0031607 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(=O)CO HMDB0031507 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.3 CCC(=O)OC HMDB0030062 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(=O)SC HMDB0031192 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CCC(C)C=O HMDB0031526 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.3 CCC(C)CN HMDB0032392 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.3 CCC(C)CO HMDB0031527 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.3 CCC(O)C=C HMDB0031605 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC[C@H](C)C=O HMDB0031525 [0,0,0,0,0,0|0,0,2]=2 10 B5R0.3 COC(C)OC HMDB0030061 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 OCC(=O)CO HMDB0001882 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 OCC(O)C=O HMDB0001051 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 OCC(O)CCl HMDB0031334 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 OCC(O)CO HMDB0000131 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(C)C=O HMDB0031243 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.1 CC(C)CO HMDB0006006 [1,0,0,0,0,0|0,0,0]=1 21 B4R0.1 CC(C)CS HMDB0031245 [1,0,0,0,0,0|0,1,0]=2 22 B4R0.1 CC(Cl)CO HMDB0031335 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(O)CN HMDB0012136 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(S)CS HMDB0031631 [1,0,0,0,0,0|1,1,0]=3 26 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|0,0,0]=1 29 B4R0.1 CN(C)N=O HMDB0031419 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C[C@@H](O)C=O HMDB0006458 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@H](O)C=O HMDB0003052 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 C[C@H](O)CO HMDB0006213 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 NCC(O)=O HMDB0000123 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 OCC(O)=O HMDB0000115 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 C/C=C/SO HMDB0031636 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 CCCC=O HMDB0003543 [1,0,0,0,0,0|0,0,2]=3 40 B4R0.2 CCCCC HMDB0029603 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 CCCCN HMDB0031321 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 CCCCO HMDB0004327 [1,0,0,0,0,0|0,0,0]=1 43 B4R0.2 CCCCS HMDB0031322 [1,0,0,0,0,0|0,1,0]=2 44 B4R0.2 CCCSO HMDB0030299 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 CCNCC HMDB0041878 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CCOC=O HMDB0031229 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 CCON=O HMDB0031239 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 CCSCC HMDB0031666 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 CSCC=C HMDB0031653 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CSCC=O HMDB0031718 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 CSCCO HMDB0032425 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.2 CSCSC HMDB0031317 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.2 C[Se]CC=C HMDB0030878 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 NCCC#N HMDB0004101 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 NCCC=O HMDB0001106 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 NCCCN HMDB0000002 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 OCCC=C HMDB0031324 [1,0,0,0,0,0|0,0,2]=3 58 B4R0.2 OCCC=O HMDB0003453 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.2 SCCCS HMDB0031632 [1,0,0,0,0,0|1,1,0]=3 60 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,1,0,0,0,0|0,0,3]=4 61 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,0,0,0,0|0,0,3]=4 62 B6R0.1 CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 CCCC(C)C=O HMDB0031578 [0,1,0,0,0,0|0,0,2]=3 64 B6R0.1 CCCC(O)C=C HMDB0031503 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCCC(O)CC HMDB0031493 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CCOC(=O)CC HMDB0030058 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 CCOC(C)CC HMDB0031326 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,1,0,0,0,0|0,1,2]=4 69 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,1,0,0,0,0|0,0,3]=4 70 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,1,0,0,0,0|0,0,3]=4 71 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,1,0,0,0,0|0,0,3]=4 74 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|0,0,1]=2 77 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,1,0,0,0,0|0,0,0]=1 78 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|0,0,1]=2 81 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.9 CCC(CC)C=O HMDB0031220 [0,1,0,0,0,0|0,0,2]=3 98 B6R0.9 CCN(CC)CC HMDB0032539 [0,1,0,0,0,0|2,0,0]=3 99 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,1,0,0|1,0,1]=3 100 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,1,0,0|1,0,0]=2 101 B6R1.2 CC1NCCS1 HMDB0031682 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.2 O=C1CCOC1 HMDB0002523 [0,0,0,1,0,0|1,0,1]=3 104 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,1,0,0|1,1,1]=4 105 B3R0.1 C/C=N/O HMDB0003656 [2,0,0,0,0,0|1,0,1]=4 106 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,0,2]=4 107 B3R0.1 CCCO HMDB0000820 [2,0,0,0,0,0|0,0,0]=2 108 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,0]=3 109 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 110 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,1,0]=4 112 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|2,0,0]=4 113 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 114 B3R0.1 ClCCCl HMDB0029571 [2,0,0,0,0,0|2,0,0]=4 115 B3R0.1 NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4 116 B3R0.1 NCCO HMDB0000149 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.1 NCCS HMDB0002991 [2,0,0,0,0,0|1,1,0]=4 118 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|0,0,2]=4 119 B3R0.1 OCC=O HMDB0003344 [2,0,0,0,0,0|1,0,1]=4 120 B3R0.1 OCCO HMDB0032262 [2,0,0,0,0,0|1,0,0]=3 121 B3R0.1 SCCS HMDB0031707 [2,0,0,0,0,0|1,1,0]=4 122 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,2]=4 123 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,0]=2 124 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,1,0]=3 125 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,1]=4 126 B3R0.2 CC(S)S HMDB0032253 [2,0,0,0,0,0|1,1,0]=4 127 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|1,0,0]=3 128 B3R0.2 C[As](O)O HMDB0012259 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.2 C[S+](C)C HMDB0012295 [2,0,0,0,0,0|1,0,0]=3 130 B3R0.2 C[Se+](C)C HMDB0042052 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CC(=C)CCO HMDB0030126 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.1 CC(C)=CCO HMDB0030124 [1,1,0,0,0,0|0,0,1]=3 133 B5R0.1 CC(C)=CCS HMDB0031529 [1,1,0,0,0,0|0,0,2]=4 134 B5R0.1 CC(C)CCN HMDB0031659 [1,1,0,0,0,0|0,0,0]=2 135 B5R0.1 CC(C)CCO HMDB0006007 [1,1,0,0,0,0|0,0,0]=2 136 B5R0.1 CC(O)CCO HMDB0031320 [1,1,0,0,0,0|0,0,0]=2 137 B5R0.1 CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.1 CCNC(C)=O HMDB0031215 [1,1,0,0,0,0|0,0,2]=4 139 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|0,0,2]=4 140 B5R0.1 CCOC(O)=O HMDB0031232 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 CCSC(C)=O HMDB0031190 [1,1,0,0,0,0|0,0,2]=4 142 B5R0.1 CN(C)CCO HMDB0032231 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CNCC(O)=O HMDB0000271 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 COCC(O)=O HMDB0041929 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.1 NCCC(O)=O HMDB0000056 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 NCCS(O)=O HMDB0000965 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.1 OC(=O)CCI HMDB0031252 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 OCCC(O)=O HMDB0000700 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.4 OCC(Cl)(Cl)Cl HMDB0041796 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,1,0,0,0,0|0,0,1]=3 151 B5R0.5 CC(O)C(C)O HMDB0003156 [1,1,0,0,0,0|0,0,0]=2 152 B5R0.5 CC(S)C(C)S HMDB0031157 [1,1,0,0,0,0|0,1,0]=3 153 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.2 CC/C=C\CO HMDB0031604 [1,1,0,0,0,0|0,0,1]=3 159 B5R0.2 CCCCC=O HMDB0031206 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.2 CCCCCC HMDB0029600 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.2 CCCCCO HMDB0013036 [1,1,0,0,0,0|0,0,0]=2 162 B5R0.2 CCCCCS HMDB0032457 [1,1,0,0,0,0|0,1,0]=3 163 B5R0.2 CCCSSC HMDB0031872 [1,1,0,0,0,0|1,1,0]=4 164 B5R0.2 CCOCCO HMDB0031213 [1,1,0,0,0,0|0,0,0]=2 165 B5R0.2 CCSSCC HMDB0029572 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.2 CSCCC=O HMDB0031857 [1,1,0,0,0,0|0,0,2]=4 167 B5R0.2 CSCCCO HMDB0031716 [1,1,0,0,0,0|0,0,0]=2 168 B5R0.2 CSCCSC HMDB0031708 [1,1,0,0,0,0|1,1,0]=4 169 B5R0.2 NCCCC=O HMDB0001080 [1,1,0,0,0,0|0,0,2]=4 170 B5R0.2 NCCCCN HMDB0001414 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,2,0,0,0,0|0,0,1]=3 172 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,2,0,0,0,0|0,0,0]=2 173 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 CCCCC(C)CC HMDB0031583 [0,2,0,0,0,0|1,0,0]=3 177 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,2,0,0,0,0|0,0,1]=3 181 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,2,0,0,0,0|0,0,1]=3 191 B7R0.7 CCOC(C)OCC HMDB0031644 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.7 CCSC(C)CCO HMDB0032277 [0,2,0,0,0,0|0,0,0]=2 193 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|0,0,1]=3 194 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0004136 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.10 OC[C@H](O)[C@H](O)CO HMDB0002994 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.10 O[C@@H](CS)[C@@H](O)CS HMDB0013593 [0,2,0,0,0,0|1,1,0]=4 198 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,2,0,0,0,0|0,0,0]=2 200 B7R0.13 CC(O)(CO)C(O)=O HMDB0002601 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,2,0,0,0,0|0,0,1]=3 202 B7R0.13 CNC(C)(C)C(O)=O HMDB0002141 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,2,0,0,0,0|0,0,1]=3 204 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,2,0,0,0,0|0,0,1]=3 205 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,2,0,0,0,0|0,0,1]=3 208 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,2,0,0,0,0|0,0,1]=3 209 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,2,0,0,0,0|0,0,1]=3 211 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,2,0,0,0,0|0,0,1]=3 212 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,2,0,0,0,0|1,0,1]=4 214 B5R1.1 C1CC=NC1 HMDB0012497 [1,0,0,1,0,0|1,0,1]=4 215 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,0]=3 216 B5R1.1 C1CCOC1 HMDB0000246 [1,0,0,1,0,0|0,0,0]=2 217 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,1,0,1,0,0|0,0,1]=3 218 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,1,0,1,0,0|0,0,0]=2 219 B7R1.2 CC1SSC(C)S1 HMDB0031470 [0,1,0,1,0,0|1,1,0]=4 220 B7R1.3 CC1CCCCN1 HMDB0032416 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.3 NC1CCCCC1 HMDB0031404 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,1,0,1,0,0|1,0,1]=4