0 B9R0.7 C/C(=C\CC(O)=O)C(O)=O HMDB0002266 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,0,0,0,0|0,0,1]=2 23 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,0,0,0,0,0|0,0,1]=2 24 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,0,0,0,0,0|0,0,1]=2 25 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,0,0,0,0,0|0,0,0]=1 27 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [1,0,0,0,0,0|2,0,0]=3 36 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O HMDB0000450 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.84 CC(=O)SCC(CS)C(O)=O HMDB0035717 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.84 O/N=C(\CCC(O)=O)C(O)=O HMDB0002467 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.84 OCC(NCC(O)=O)C(O)=O HMDB0030393 [0,1,0,0,0,0|3,0,0]=4 40 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,1,0,0,0,0|1,0,1]=3 41 B10R0.92 NC(COP(O)(O)=O)C(O)=O HMDB0001721 [0,1,0,0,0,0|3,0,0]=4 42 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O HMDB0002205 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.92 N[C@@H](COP(O)(O)=O)C(O)=O HMDB0000272 [0,1,0,0,0,0|3,0,0]=4 44 B10R0.92 N[C@@H](CSS(O)(=O)=O)C(O)=O HMDB0000731 [0,1,0,0,0,0|3,0,0]=4 45 B10R0.93 NC(CC(=C)C(O)=O)C(O)=O HMDB0029433 [0,1,0,0,0,0|1,0,1]=3 46 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,1,0,0,0,0|0,0,2]=3 47 B10R0.93 N[C@@H](CC(O)C([O-])=O)C([O-])=O HMDB0002273 [0,1,0,0,0,0|1,0,1]=3 48 B10R0.93 OC(CC(=O)C(O)=O)C(O)=O HMDB0002070 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,1,0,0|1,0,2]=4 50 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,0|2,0,0]=3 51 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,0,0,0,1,0|2,0,1]=4 52 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,0,0,0,1,0|2,0,0]=3 53 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,1,0|2,0,0]=3 54 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,0,0,0,1,0|3,0,0]=4 55 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [0,0,0,0,1,0|2,0,0]=3 56 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,0,0,0,1,0|0,0,0]=1 57 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,0,0,0,1,0|1,0,0]=2 58 B8R0.23 N[C@@H](CS(=O)=O)C(O)=O HMDB0000996 [0,0,0,0,1,0|2,0,0]=3 59 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,1,0|0,0,0]=1 60 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,0,0,0,1,0|1,0,0]=2 61 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [0,0,0,0,1,0|2,0,1]=4 62 B8R0.23 OC(=O)CC(=N)C(O)=O HMDB0001131 [0,0,0,0,1,0|1,0,2]=4 63 B8R0.23 OC(=O)CC(=O)C(O)=O HMDB0000223 [0,0,0,0,1,0|2,0,1]=4 64 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,0,0,0,1,0|2,0,0]=3 65 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,0,0,0,1,0|2,0,0]=3 66 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,1,0|2,0,0]=3 67 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,0,0,0,0,1|2,0,0]=3 68 B10R0.96 OC(=O)CCC(=O)CC(O)=O HMDB0000398 [0,0,0,0,0,1|2,0,1]=4 69 B10R0.96 OC(CCC(O)=O)CC(O)=O HMDB0000345 [0,0,0,0,0,1|2,0,0]=3 70 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,0,0,0,0,1|1,0,0]=2 71 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,1|1,0,0]=2 72 B10R0.98 NC(CCCC(O)=O)C(O)=O HMDB0000510 [0,0,0,0,0,1|1,0,0]=2 73 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,0,0,0,0,1|1,0,0]=2 74 B10R0.98 OC(=O)CCCC(=O)C(O)=O HMDB0000225 [0,0,0,0,0,1|2,0,1]=4 75 B10R0.98 OC(CCCC(O)=O)C(O)=O HMDB0000321 [0,0,0,0,0,1|2,0,0]=3 76 B10R0.98 O[C@H](CCCC(O)=O)C(O)=O HMDB0000368 [0,0,0,0,0,1|2,0,0]=3 77 B7R0.4 CC(=O)NCCC=O HMDB0012880 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.4 NCCCCC(N)=O HMDB0012176 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.4 NCCCCC(O)=O HMDB0003355 [2,0,0,0,0,0|0,0,1]=3 81 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|0,0,0]=2 82 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [2,0,0,0,0,0|0,0,1]=3 86 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [2,0,0,0,0,0|0,1,0]=3 89 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [2,0,0,0,0,0|0,1,0]=3 90 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [2,0,0,0,0,0|0,0,0]=2 92 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [2,0,0,0,0,0|0,0,0]=2 93 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [2,0,0,0,0,0|0,0,1]=3 94 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [2,0,0,0,0,0|1,1,0]=4 95 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [2,0,0,0,0,0|1,0,1]=4 96 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [1,1,0,0,0,0|0,0,0]=2 97 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [1,1,0,0,0,0|0,1,1]=4 100 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [1,1,0,0,0,0|0,0,0]=2 101 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [1,1,0,0,0,0|0,0,1]=3 102 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O HMDB0012115 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.53 OC(CC(O)=O)CC(O)=O HMDB0000428 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.11 CC(C)(CC(O)=O)C(O)=O HMDB0002074 [0,1,0,0,1,0|2,0,0]=4 108 B9R0.57 NC(CP(O)(O)=O)C(O)=O HMDB0000370 [0,1,0,0,1,0|2,0,0]=4 109 B9R0.57 NC(CS(O)(=O)=O)C(O)=O HMDB0002757 [0,1,0,0,1,0|2,0,0]=4 110 B9R0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O HMDB0029878 [0,1,0,0,1,0|2,0,0]=4 111 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O HMDB0029402 [0,1,0,0,0,1|1,0,1]=4 112 B11R0.273 CCC(CCCC(O)=O)C(O)=O HMDB0002023 [0,1,0,0,0,1|2,0,0]=4 113 B11R0.318 N[C@@H](CCOP(O)(O)=O)C(O)=O HMDB0003484 [0,1,0,0,0,1|2,0,0]=4 114 B11R0.206 NC(C(O)C(O)C(O)=O)C(O)=O HMDB0030408 [0,2,0,0,0,0|1,0,0]=3 115 B11R0.335 CC(C(O)=O)C(C)(O)CC(O)=O HMDB0002025 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.146 OC(=O)CC[C@H](NC=N)C(O)=O HMDB0000854 [0,2,0,0,0,0|1,0,0]=3 117 B11R0.146 OC(=O)CC[C@H](NC=O)C(O)=O HMDB0003470 [0,2,0,0,0,0|1,0,0]=3 118 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [1,0,0,1,0,0|0,0,0]=2 122 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [1,0,0,1,0,0|0,0,0]=2 123 B11R1.314 NC(C1CC(=O)NO1)C(O)=O HMDB0030412 [0,0,0,1,0,1|2,0,0]=4 124 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,0,0,2,0|1,0,0]=3 125 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,2,0|2,0,0]=4 126 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,0,0,0,2,0|2,0,0]=4 127 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,0,0,0,2,0|1,0,0]=3 128 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [1,0,0,0,0,1|0,0,1]=3 129 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [1,0,0,0,0,1|1,0,0]=3 130 B9R0.55 NC(N)=NCCCC(O)=O HMDB0003464 [1,0,0,0,0,1|1,0,0]=3 131 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [1,0,0,0,0,1|1,0,1]=4 132 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [1,0,0,0,0,1|1,0,1]=4 133 B11R0.29 CC(C)=CCSCC(N)C(O)=O HMDB0012286 [0,0,0,0,0,2|2,0,0]=4 134 B11R0.29 NC(=N)NCCC[C@H](O)C(O)=O HMDB0003148 [0,0,0,0,0,2|2,0,0]=4 135 B11R0.29 NC(CCONC(O)=N)C(O)=O HMDB0012271 [0,0,0,0,0,2|0,0,2]=4 136 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O HMDB0000904 [0,0,0,0,0,2|0,0,0]=2 137 B11R0.29 N[C@H](CCCNC(N)=N)C(O)=O HMDB0003416 [0,0,0,0,0,2|1,0,0]=3