0 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 OC(=O)C1=NCCCC1 HMDB0001084 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.2 O=CN1CCCCC1 HMDB0031702 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.113 CN1CCC=C(C1)C(O)=O HMDB0030352 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,0,1,0,0,0|0,0,2]=3 15 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,0,1,0,0,0|0,0,2]=3 16 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,0,1,0,0,0|1,0,0]=2 17 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,0,1,0,0,0|1,0,1]=3 19 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,0,1,0,0,0|0,0,0]=1 20 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,0,1,0,0,0|1,0,0]=2 22 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,0,1,0,0,0|1,0,1]=3 24 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,0,1,0,0,0|1,0,0]=2 25 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,0,1,0,0,0|1,0,2]=4 26 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,0,1,0,0,0|1,0,1]=3 28 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,0,1,0,0,0|0,0,0]=1 29 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,0,1,0,0,0|1,0,0]=2 30 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,0,1,0,0,0|1,0,0]=2 31 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,0,1,0,0,0|2,0,0]=3 34 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,0,1,0,0,0|3,0,0]=4 40 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,0,1,0,0,0|2,0,1]=4 41 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,0,0,0,1,0|1,0,1]=3 43 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,0,0,0,1,0|1,0,0]=2 45 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,0,0,0,1,0|1,0,0]=2 46 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [0,0,0,0,1,0|1,0,2]=4 47 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,0,0,0,0,1|1,0,0]=2 50 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,0,0,0,0,1|0,0,0]=1 51 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,0,1,0,0,0|0,0,2]=4 52 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,1,0,0,0|1,0,0]=3 53 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,1,0,0,0|0,0,0]=2 54 B7R0.1 CCCCCCCC HMDB0001485 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.1 CCCCCCCO HMDB0031479 [1,0,1,0,0,0|0,0,1]=3 56 B7R0.1 CCCCCCCS HMDB0032304 [1,0,1,0,0,0|0,1,1]=4 57 B7R0.1 CCCCCCOC HMDB0032407 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.1 CCCCOCCO HMDB0031327 [1,0,1,0,0,0|1,0,1]=4 59 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,0,1,0,0,0|0,0,2]=4 60 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,1,0,0,0|1,0,0]=3 61 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,1,0,0,0|0,0,0]=2 63 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,1,0,0,0|0,0,2]=4 70 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,1,0,0,0|0,0,2]=4 71 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,0,1,0,0,0|0,0,2]=4 72 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,1,0,0,0|0,0,0]=2 74 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,0,1,0,0,0|1,0,0]=3 75 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,0,1,0,0,0|1,0,0]=3 76 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,1,0,0,0|2,0,0]=4 77 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,0,1,0,0,0|2,0,0]=4 78 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,0,1,0,0,0|2,0,0]=4 79 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,0,1,0,0,0|2,0,0]=4 83 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [1,0,1,0,0,0|0,0,0]=2 84 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [1,0,1,0,0,0|1,0,0]=3 85 B7R1.3 CC1CCCCN1 HMDB0032416 [2,0,0,0,0,0|1,0,1]=4 86 B7R1.3 NC1CCCCC1 HMDB0031404 [2,0,0,0,0,0|1,0,0]=3 87 B7R1.3 O=C1CCCCC1 HMDB0003315 [2,0,0,0,0,0|0,0,1]=3 88 B7R1.3 O=C1CCCCN1 HMDB0011749 [2,0,0,0,0,0|1,0,1]=4 89 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,1,1,0,0,0|1,0,1]=4 90 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,1,1,0,0,0|2,0,0]=4 91 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,1,1,0,0,0|0,0,1]=3 92 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,1,0,0,0|0,0,1]=3 93 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,1,0,0,0|0,0,1]=3 94 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,1,1,0,0,0|0,0,1]=3 95 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,1,0,0,0|1,0,0]=3 96 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,1,0,0,0|1,0,1]=4 97 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,1,0,0,0|0,0,0]=2 98 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,1,1,0,0,0|1,0,0]=3 99 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,1,0,0,0|1,0,0]=3 100 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [0,1,1,0,0,0|1,0,0]=3 101 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,1,1,0,0,0|0,0,2]=4 102 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,1,0,0,0|1,0,0]=3 103 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,1,0,0,0|0,0,0]=2 104 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,1,0,0,0|1,0,1]=4 105 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,1,0,0,0|1,0,1]=4 106 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,1,0,0,0|1,0,1]=4 107 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,1,0,0,0|2,0,0]=4 108 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [0,1,1,0,0,0|2,0,0]=4 109 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,1,0,0,0|1,0,1]=4 110 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,1,1,0,0,0|0,0,0]=2 111 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,1,1,0,0,0|1,0,0]=3 112 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,1,1,0,0,0|1,0,0]=3 113 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [0,1,1,0,0,0|1,0,1]=4 114 B9R0.47 NCCCCC(=O)C(O)=O HMDB0012151 [0,1,1,0,0,0|1,0,1]=4 115 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [0,1,1,0,0,0|1,0,0]=3 116 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [0,1,1,0,0,0|1,0,1]=4 117 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,1,1,0,0,0|1,0,1]=4 118 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,1,1,0,0,0|0,0,0]=2 119 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,1,1,0,0,0|1,0,1]=4 120 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,1,0,0,0|1,0,1]=4 121 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,1,1,0,0,0|2,0,0]=4 122 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [0,1,1,0,0,0|0,0,0]=2 123 B9R0.13 CCCCC(CO)C(C)=O HMDB0036165 [0,1,1,0,0,0|1,0,0]=3 124 B9R0.15 CCC/C(=C\CC)C(O)=O HMDB0013902 [0,1,1,0,0,0|0,0,1]=3 125 B9R0.15 CCCC(/C=C/C)C(O)=O HMDB0013904 [0,1,1,0,0,0|0,0,1]=3 126 B9R0.15 CCCC(/C=C\C)C(O)=O HMDB0013903 [0,1,1,0,0,0|0,0,1]=3 127 B9R0.15 CCCC(CC=C)C(O)=O HMDB0013897 [0,1,1,0,0,0|0,0,1]=3 128 B9R1.8 O=COC1CCCCC1 HMDB0031351 [1,1,0,0,0,0|0,0,0]=2 129 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,1,0,0,1,0|1,0,0]=3 130 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,1,0,0,1,0|1,0,1]=4 131 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,1,0,0,1,0|1,0,1]=4 132 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,1,0,0,1,0|1,0,1]=4 133 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,1,0,0,1,0|2,0,0]=4 134 B9R1.35 OC1CC(N=C1)C(O)=O HMDB0001369 [0,1,0,0,1,0|1,0,1]=4 135 B9R1.35 OC1CN=C(C1)C(O)=O HMDB0002234 [0,1,0,0,1,0|1,0,1]=4 136 B9R1.35 OC1CN[C@@H](C1)C(O)=O HMDB0006055 [0,1,0,0,1,0|1,0,0]=3 137 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O HMDB0000725 [0,1,0,0,1,0|1,0,0]=3 138 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [0,1,0,0,1,0|1,0,0]=3 139 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [0,1,0,0,1,0|1,0,0]=3 140 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [0,1,0,0,1,0|1,0,0]=3 141 B11R1.20 OC1CCC(CC(O)=O)CC1 HMDB0000451 [0,1,0,0,0,1|0,0,0]=2 142 B11R1.20 O[C@H]1CC[C@H](CC(O)=O)CC1 HMDB0000909 [0,1,0,0,0,1|0,0,0]=2 143 B11R1.86 CN1CCCCC1CC(C)=O HMDB0030326 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.509 OS(=O)(=O)NC1CCCCC1 HMDB0031340 [0,1,0,0,0,1|1,0,0]=3 145 B11R1.3 CC(=C)C1CCC(CO)CC1 HMDB0037006 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.19 CC1CCC(CC1)C(C)(C)O HMDB0034717 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.21 C[C@@H]1CC[C@H](CC1O)C(C)=C HMDB0035825 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.166 CC1CCC(C(O)C1)C(C)=C HMDB0036077 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.166 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C HMDB0036078 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.727 CC(=C)C1CCC(C)(O)CC1 HMDB0036996 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.727 CC(=C)[C@H]1CC[C@@](C)(O)CC1 HMDB0037215 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.727 CC(=C)[C@H]1CC[C@](C)(O)CC1 HMDB0037214 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.74 CC1CS(=O)CC(N1)C(O)=O HMDB0029417 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.730 CC(=C)C1CCCC(C)(O)C1 HMDB0037047 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,1,1,0,0|1,0,0]=3 156 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,0,1,1,0,0|1,0,0]=3 157 B11R2.678 O=C1CC2CCCC(C1)N2 HMDB0029613 [0,0,0,1,0,1|2,0,0]=4 158 B7R1.1 O=NN1CCCC1 HMDB0031642 [1,0,0,0,1,0|2,0,0]=4 159 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,0,2,0|1,0,0]=3