0 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,0,0,0|0,0,2]=2 4 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,0,0,0|1,0,1]=2 5 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,0,0,0|0,0,3]=4 6 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,0,0,0|2,1,0]=4 7 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,0,0,0|1,0,0]=2 8 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,0,0,0|1,0,1]=3 9 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,0,0,0|1,1,1]=4 10 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,0,0,0|1,0,0]=2 11 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,0,0,0|1,0,0]=2 12 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,0,0,0|0,0,0]=1 13 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,0,0,0|0,1,0]=2 14 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,0,0,0|2,0,0]=3 16 B6R1.2 O=C1CN=CN1 HMDB0004363 [1,0,0,0,0,0|2,0,1]=4 17 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,0,0,0|0,0,2]=3 18 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,0,0,0|0,0,0]=1 19 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,0,0,0|1,0,2]=4 21 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CCCC(=O)CC HMDB0000753 [0,0,1,0,0,0|1,0,0]=2 27 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,1,0,0,0|2,0,0]=3 28 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,1,0,0,0|1,0,2]=4 30 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,1,0,0,0|0,0,0]=1 31 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,1,0,0,0|1,0,1]=3 32 B6R0.1 COC(=O)CSC HMDB0035646 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,1,0,0,0|1,0,2]=4 34 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,1,0,0,0|0,0,2]=3 35 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,1,0,0,0|1,0,1]=3 37 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,1,0,0,0|1,0,1]=3 38 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,1,0,0,0|2,0,1]=4 39 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,1,0,0,0|1,0,0]=2 40 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,1,0,0,0|2,0,0]=3 41 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,1,0,0,0|0,0,0]=1 42 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,1,0,0,0|1,1,1]=4 43 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,1,0,0,0|3,0,0]=4 44 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,1,0,0,0|2,0,0]=3 46 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [0,0,1,0,0,0|1,0,2]=4 50 B6R0.4 CC(C)CCC=O HMDB0001318 [0,0,1,0,0,0|1,0,0]=2 51 B6R0.4 CC(C)COC=O HMDB0031247 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,0,1,0,0,0|0,0,2]=3 53 B6R0.4 CCCCC(C)=O HMDB0005842 [0,0,1,0,0,0|1,0,0]=2 54 B6R0.4 CCCCC(O)=O HMDB0000892 [0,0,1,0,0,0|0,0,0]=1 55 B6R0.4 CCNCC(O)=O HMDB0041945 [0,0,1,0,0,0|1,0,0]=2 56 B6R0.4 CCOCC(O)=O HMDB0031212 [0,0,1,0,0,0|1,0,0]=2 57 B6R0.4 CSCCC(C)=O HMDB0031316 [0,0,1,0,0,0|2,0,0]=3 58 B6R0.4 CSCCC(O)=O HMDB0001527 [0,0,1,0,0,0|1,0,0]=2 59 B6R0.4 NCCCC(O)=O HMDB0000112 [0,0,1,0,0,0|1,0,0]=2 60 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,0,1,0,0,0|0,0,2]=3 61 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,0,1,0,0,0|1,0,1]=3 62 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,0,1,0,0,0|1,0,2]=4 63 B6R0.4 OCCCC(O)=O HMDB0000710 [0,0,1,0,0,0|1,0,0]=2 64 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,0,0,1|1,0,0]=2 65 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,0,0,1|1,0,1]=3 66 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,0,0,0,0,1|0,0,0]=1 67 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,0,0,1|1,0,2]=4 68 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,0,0,1|1,1,1]=4 69 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,0,0,0,0,1|2,0,1]=4 70 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,1,0,0,0|1,0,1]=4 71 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,1,0,0,0|0,0,2]=4 72 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,1,0,0,0|0,0,2]=4 73 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,1,0,0,0|0,0,2]=4 74 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,1,0,0,0|1,0,1]=4 75 B5R0.1 CC(C)CCN HMDB0031659 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.1 CC(C)CCO HMDB0006007 [1,0,1,0,0,0|1,0,1]=4 77 B5R0.1 CC(O)CCO HMDB0031320 [1,0,1,0,0,0|0,0,1]=3 78 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,1,0,0,0|0,0,0]=2 79 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,1,0,0,0|1,0,0]=3 80 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,1,0,0,0|0,0,0]=2 81 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,1,0,0,0|1,0,0]=3 82 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,1,0,0,0|1,0,0]=3 83 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,1,0,0,0|0,1,0]=3 84 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,1,0,0,0|1,0,0]=3 85 B5R0.1 COCC(O)=O HMDB0041929 [1,0,1,0,0,0|1,0,0]=3 86 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,1,0,0,0|1,0,0]=3 87 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,1,0,0,0|2,0,0]=4 88 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,1,0,0,0|1,0,1]=4 89 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,1,0,0,0|1,0,0]=3 90 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,1,0,0,0|1,0,0]=3 91 B5R0.2 C=CCCC=O HMDB0032458 [1,0,1,0,0,0|0,0,2]=4 92 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,1,0,0,0|0,0,2]=4 93 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,1,0,0,0|2,0,0]=4 94 B5R0.2 CCCCC=O HMDB0031206 [1,0,1,0,0,0|0,0,0]=2 95 B5R0.2 CCCCCC HMDB0029600 [1,0,1,0,0,0|1,0,1]=4 96 B5R0.2 CCCCCO HMDB0013036 [1,0,1,0,0,0|0,0,1]=3 97 B5R0.2 CCCCCS HMDB0032457 [1,0,1,0,0,0|0,1,1]=4 98 B5R0.2 CCOCCO HMDB0031213 [1,0,1,0,0,0|1,0,1]=4 99 B5R0.2 CCSSCC HMDB0029572 [1,0,1,0,0,0|1,1,0]=4 100 B5R0.2 CSCCC=O HMDB0031857 [1,0,1,0,0,0|1,0,0]=3 101 B5R0.2 CSCCCO HMDB0031716 [1,0,1,0,0,0|1,0,1]=4 102 B5R0.2 NCCCC=O HMDB0001080 [1,0,1,0,0,0|1,0,0]=3 103 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,1,0,0,0|0,0,2]=4 104 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,1,0,0,0|0,0,2]=4 105 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,1,0,0,0|1,0,0]=3 106 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,1,0,0,0|0,0,0]=2 107 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,1,0,0,0|0,1,0]=3 108 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,1,0,0,0|0,0,0]=2 109 B5R0.3 CCC(C)CN HMDB0032392 [1,0,1,0,0,0|1,0,1]=4 110 B5R0.3 CCC(C)CO HMDB0031527 [1,0,1,0,0,0|0,0,2]=4 111 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,1,0,0,0|2,0,0]=4 112 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,1,0,0,0|0,0,0]=2 113 B5R0.3 CNC(=O)NC HMDB0029198 [1,0,1,0,0,0|2,0,0]=4 114 B5R0.3 COC(=O)OC HMDB0029580 [1,0,1,0,0,0|1,0,0]=3 115 B5R0.3 COC(C)OC HMDB0030061 [1,0,1,0,0,0|1,0,1]=4 116 B5R0.3 OCC(=O)CO HMDB0001882 [1,0,1,0,0,0|2,0,0]=4 117 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,1,0,0,0|2,0,0]=4 118 B5R1.1 C1CC=NC1 HMDB0012497 [2,0,0,0,0,0|1,0,0]=3 119 B5R1.1 C1CCNC1 HMDB0031641 [2,0,0,0,0,0|1,0,1]=4 120 B5R1.1 C1CCOC1 HMDB0000246 [2,0,0,0,0,0|0,0,1]=3 121 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,1,0,0,0|2,0,0]=4 122 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,1,0,0,0|1,0,0]=3 123 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,1,0,0,0|0,0,0]=2 124 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,1,0,0,0|1,0,0]=3 125 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,1,1,0,0,0|2,0,0]=4 126 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,1,0,0,0|2,0,0]=4 127 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,1,0,0,0|2,0,0]=4 129 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,1,0,0,0|2,0,0]=4 130 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,1,0,0,0|0,0,1]=3 131 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,1,0,0,0|1,0,0]=3 132 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,1,0,0,0|2,0,0]=4 133 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,1,0,0,0|0,0,0]=2 134 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,1,0,0,0|2,0,0]=4 135 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,1,0,0,0|1,0,1]=4 136 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,1,1,0,0,0|0,0,0]=2 137 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,1,1,0,0,0|0,0,0]=2 138 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,1,0,0,0|0,0,2]=4 139 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,1,1,0,0,0|1,0,0]=3 141 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,1,0,0,0|0,0,0]=2 142 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,1,0,0,0|1,0,0]=3 143 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,1,1,0,0,0|0,0,1]=3 144 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,1,0,0,0|0,0,0]=2 145 B7R0.7 CCOC(C)OCC HMDB0031644 [0,1,1,0,0,0|1,0,1]=4 146 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,1,0,0,0|1,0,0]=3 147 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,1,0,0,0|2,0,0]=4 148 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,1,0,0,0|1,0,0]=3 149 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,1,0,0,0|1,0,0]=3 150 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,1,0,0,0|2,0,0]=4 151 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,1,0,0,0|2,0,0]=4 152 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,1,0,0,0|1,0,0]=3 153 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,1,0,0,0|2,0,0]=4 154 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,1,0,0,0|2,0,0]=4 155 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,1,1,0,0,0|0,0,2]=4 156 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,1,0,0,0|0,0,2]=4 157 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,1,0,0,0|1,0,1]=4 158 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,1,1,0,0,0|1,0,1]=4 159 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,1,0,0,0|0,0,1]=3 160 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,1,1,0,0,0|1,0,0]=3 161 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,1,0,0,0|1,0,1]=4 162 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,1,0,0,0|0,0,0]=2 163 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,1,0,0,0|1,0,0]=3 164 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,1,0,0,0|1,0,0]=3 165 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,1,1,0,0,0|1,0,0]=3 166 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,1,1,0,0,0|0,0,0]=2 167 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,1,1,0,0,0|0,0,1]=3 168 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,1,1,0,0,0|1,0,1]=4 169 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,1,1,0,0,0|0,0,1]=3 170 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,1,1,0,0,0|1,0,1]=4 171 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,1,1,0,0,0|0,0,2]=4 172 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,1,1,0,0,0|1,0,0]=3 173 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,1,1,0,0,0|0,0,0]=2 174 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,1,1,0,0,0|2,0,0]=4 175 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [0,1,1,0,0,0|1,0,1]=4 176 B7R1.1 O=NN1CCCC1 HMDB0031642 [1,1,0,0,0,0|2,0,0]=4 177 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,1,0,0,0,0|1,0,1]=4 178 B7R1.4 NC1CCOC1=O HMDB0029387 [1,1,0,0,0,0|0,0,0]=2 179 B7R1.4 NC1CCSC1=O HMDB0002287 [1,1,0,0,0,0|0,1,0]=3 180 B9R1.69 CC1CNC(=O)NC1=O HMDB0000079 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,0,0,1|1,0,1]=4 182 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,1,0,0,0,1|1,0,0]=3 183 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,2,0,0,0,0|0,0,0]=2 184 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,2,0,0,0,0|1,0,1]=4 185 B9R1.22 OC[C@@H]1O[C@H](O)C[C@H]1O HMDB0003224 [0,2,0,0,0,0|0,0,2]=4 186 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,2,0,0,0,0|1,0,1]=4 187 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,2,0,0,0,0|1,0,1]=4 188 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [0,2,0,0,0,0|0,0,0]=2 189 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,2,0,0,0,0|1,0,1]=4 190 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,2,0,0,0,0|1,0,0]=3 191 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,2,0,0,0,0|1,0,0]=3 192 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,2,0,0,0,0|1,0,0]=3 193 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,2,0,0,0,0|0,0,2]=4 194 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,1,1,0,0|1,0,0]=3 195 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,1,1,0,0|1,0,0]=3 196 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,1,1,0,0|1,0,0]=3 197 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,1,0,1,0|0,0,2]=4 198 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,1,0,1,0|1,0,1]=4 199 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,1,0,1,0|1,0,0]=3 200 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,1,0,1,0|2,0,0]=4 201 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,1,0,1,0|2,0,0]=4 202 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,1,0,1,0|2,0,0]=4 203 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,1,0,1,0|2,0,0]=4 204 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,1,0,1,0|2,0,0]=4