0 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CC(O)CCCCO HMDB0031490 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.4 CCCCCC(C)O HMDB0033908 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.4 CCCCCC(C)S HMDB0032303 [0,0,0,0,0,0|0,1,1]=2 8 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.4 CCCNCC(C)C HMDB0031244 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 CSSCCC(C)C HMDB0032408 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CCCCC(C)=O HMDB0005842 [1,0,0,0,0,0|0,0,0]=1 18 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 NCCCC(O)=O HMDB0000112 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 OCCCC(O)=O HMDB0000710 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.6 CCCCCC=O HMDB0005994 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|0,0,1]=2 33 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|1,1,0]=3 36 B6R0.6 CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.6 CCCSSSC HMDB0031871 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 CNCCCCN HMDB0003661 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.6 CSCSCSC HMDB0032547 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.6 NCCCCC=O HMDB0012815 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.6 NCCCCCN HMDB0002322 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 O=CCCCC=O HMDB0029599 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,1,0,0,0,0|0,0,3]=4 54 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,0,0,0,0|0,0,3]=4 60 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|0,0,2]=3 61 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,1,0,0,0,0|0,0,2]=3 66 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,0,0,0,0|0,0,3]=4 67 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,1,0,0,0,0|0,0,3]=4 68 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,1,0,0,0,0|0,0,3]=4 70 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|0,0,0]=1 72 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.7 CS(=O)CCCN=C=S HMDB0006095 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.7 NCCCCNC(N)=N HMDB0001432 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,1,0,0,0,0|0,0,1]=2 84 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,1,0,0,0,0|0,0,2]=3 105 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,1,0,0,0,0|0,0,2]=3 108 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,0|0,0,2]=3 116 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,1,0,0|0,0,2]=3 118 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,1,0,0|0,1,1]=3 119 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [0,0,0,1,0,0|2,0,1]=4 126 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|0,0,2]=4 127 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 NCCC(O)=O HMDB0000056 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 OCCC(O)=O HMDB0000700 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|0,0,2]=4 141 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,2]=4 142 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,0]=2 143 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,0]=2 144 B5R0.2 CCCCCO HMDB0013036 [2,0,0,0,0,0|0,0,1]=3 145 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|0,1,0]=3 146 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.2 CSCCSC HMDB0031708 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.2 NCCCC=O HMDB0001080 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.2 NCCCCN HMDB0001414 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|0,0,0]=2 162 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.3 COC(=O)CCSC HMDB0034377 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|0,0,1]=3 167 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,1,0,0,0,0|0,0,2]=4 181 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,1,0,0,0,0|0,0,0]=2 182 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,1,0,0,0,0|0,0,1]=3 185 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.1 CCCCCCC=C HMDB0032449 [1,1,0,0,0,0|0,0,1]=3 187 B7R0.1 CCCCCCC=O HMDB0031475 [1,1,0,0,0,0|0,0,0]=2 188 B7R0.1 CCCCCCCC HMDB0001485 [1,1,0,0,0,0|0,0,1]=3 189 B7R0.1 CCCCCCCO HMDB0031479 [1,1,0,0,0,0|0,0,1]=3 190 B7R0.1 CCCCCCCS HMDB0032304 [1,1,0,0,0,0|0,0,1]=3 191 B7R0.1 CCCCCCOC HMDB0032407 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.1 CCCCCSSC HMDB0031161 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.1 CCCCOCCO HMDB0031327 [1,1,0,0,0,0|0,0,2]=4 194 B7R0.1 CCCCSSCC HMDB0032180 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.1 CCCSSCCC HMDB0031472 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.1 SCCCCCCS HMDB0031709 [1,1,0,0,0,0|0,1,1]=4 197 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,1,0,0,0,0|0,0,2]=4 198 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|0,0,0]=2 200 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [0,2,0,0,0,0|1,0,0]=3 201 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O HMDB0000366 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.53 CC(C)CC(O)CC(C)C HMDB0031153 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,2,0,0,0,0|1,0,1]=4 206 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O HMDB0012115 [0,2,0,0,0,0|1,0,0]=3 207 B9R0.58 CC(O)(CCO)CC(O)=O HMDB0000227 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.1 CC(CCC=C(C)C)C=O HMDB0031834 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,2,0,0,0,0|0,0,0]=2 211 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,2,0,0,0,0|1,0,1]=4 212 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,2,0,0,0,0|0,0,2]=4 213 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,2,0,0,0,0|0,0,0]=2 214 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,2,0,0,0,0|0,0,0]=2 215 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,2,0,0,0,0|0,0,0]=2 216 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,2,0,0,0,0|0,0,2]=4 219 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,2,0,0,0,0|0,0,2]=4 220 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,2,0,0,0,0|0,0,1]=3 223 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,2,0,0,0,0|0,0,0]=2 224 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,2,0,0,0,0|0,0,0]=2 225 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,2,0,0,0,0|0,0,1]=3 226 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,2,0,0,0,0|0,0,2]=4 227 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,2,0,0,0,0|0,0,0]=2 230 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,2,0,0,0,0|0,0,1]=3 231 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,2,0,0,0,0|0,0,0]=2 232 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.47 NCCCCC(=O)C(O)=O HMDB0012151 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,2,0,0,0,0|0,0,0]=2 237 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [0,2,0,0,0,0|0,0,1]=3 238 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,2,0,0,0,0|0,0,0]=2 243 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,2,0,0,0,0|0,0,2]=4 244 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,2,0,0,0,0|1,0,0]=3 245 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,2,0,0,0,0|0,0,0]=2 247 B9R0.2 NCCCCCNC(N)=N HMDB0031505 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,2,0,0,0,0|1,0,1]=4 251 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.13 CCCCC(CO)C(C)=O HMDB0036165 [0,2,0,0,0,0|0,0,0]=2 255 B9R0.43 CCC(CC)COC(C)=O HMDB0031703 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.56 CC(=O)OCC[N+](C)(C)C HMDB0000895 [0,2,0,0,0,0|2,0,0]=4 257 B9R0.56 C[N+](C)(C)CCCC(O)=O HMDB0001161 [0,2,0,0,0,0|2,0,0]=4 258 B9R0.56 C[N+](C)(C)CCCC([O-])=O HMDB0006831 [0,2,0,0,0,0|2,0,0]=4 259 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,1,0,0|0,0,2]=4 260 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|1,0,0]=3 261 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.3 O=C1CCCCC1 HMDB0003315 [1,0,0,1,0,0|0,0,0]=2 264 B7R1.3 O=C1CCCCN1 HMDB0011749 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.1 O=NN1CCCC1 HMDB0031642 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|0,0,2]=4 268 B7R1.4 NC1CCOC1=O HMDB0029387 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.4 NC1CCSC1=O HMDB0002287 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,1,0,0|0,0,1]=3 277 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,1,0,1,0,0|0,0,2]=4 278 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|0,0,1]=3 280 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,1,0,1,0,0|0,0,1]=3 281 B9R1.6 OC(=O)C1=NCCCC1 HMDB0001084 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.35 OC1CN[C@@H](C1)C(O)=O HMDB0006055 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O HMDB0000725 [0,1,0,1,0,0|2,0,0]=4