0 B9R0.7 C/C(=C\CC(O)=O)C(O)=O HMDB0002266 [0,0,0,0,0,0|1,0,2]=3 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|1,0,0]=1 3 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [0,0,0,0,0,0|3,0,0]=3 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|2,0,1]=3 6 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [0,0,0,0,0,0|1,0,0]=1 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|0,0,1]=2 21 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,0,0,0,0,0|0,0,0]=1 26 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [1,0,0,0,0,0|0,0,2]=3 33 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [1,0,0,0,0,0|0,0,0]=1 34 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O HMDB0000450 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.84 CC(=O)SCC(CS)C(O)=O HMDB0035717 [0,1,0,0,0,0|3,0,0]=4 37 B10R0.84 O/N=C(\CCC(O)=O)C(O)=O HMDB0002467 [0,1,0,0,0,0|0,0,2]=3 38 B10R0.84 OCC(NCC(O)=O)C(O)=O HMDB0030393 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.92 NC(COP(O)(O)=O)C(O)=O HMDB0001721 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O HMDB0002205 [0,1,0,0,0,0|1,0,0]=2 42 B10R0.92 N[C@@H](COP(O)(O)=O)C(O)=O HMDB0000272 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.92 N[C@@H](CSS(O)(=O)=O)C(O)=O HMDB0000731 [0,1,0,0,0,0|2,0,0]=3 44 B10R0.92 OC(COP(O)(O)=O)C(O)=O HMDB0000807 [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|0,0,1]=2 46 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,1,0,0,0,0|1,0,0]=2 47 B10R0.93 N[C@@H](CC(O)C([O-])=O)C([O-])=O HMDB0002273 [0,1,0,0,0,0|0,0,2]=3 48 B10R0.93 OC(CC(=O)C(O)=O)C(O)=O HMDB0002070 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,1,0,0|1,0,1]=3 51 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,0|2,0,0]=3 52 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,0,0,1,0|1,0,2]=4 53 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,0,0,1,0|1,0,2]=4 54 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,0,0,0,1,0|2,0,1]=4 55 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,0,0,0,1,0|2,0,1]=4 56 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,0,0,0,1,0|1,0,0]=2 57 B8R0.23 CN(CC(O)=O)C(O)=N HMDB0012265 [0,0,0,0,1,0|3,0,0]=4 58 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,1,0|2,0,0]=3 59 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,0,0,0,1,0|3,0,0]=4 60 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [0,0,0,0,1,0|3,0,0]=4 61 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,0,0,0,1,0|1,0,0]=2 62 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,0,0,0,1,0|0,0,0]=1 63 B8R0.23 N[C@@H](CS(=O)=O)C(O)=O HMDB0000996 [0,0,0,0,1,0|1,0,1]=3 64 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,1,0|1,0,0]=2 65 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,0,0,0,1,0|0,0,0]=1 66 B8R0.23 OC(=O)C(=O)CS(O)=O HMDB0002332 [0,0,0,0,1,0|2,0,1]=4 67 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [0,0,0,0,1,0|1,0,1]=3 68 B8R0.23 OC(=O)CC(=N)C(O)=O HMDB0001131 [0,0,0,0,1,0|0,0,2]=3 69 B8R0.23 OC(=O)CC(=O)C(O)=O HMDB0000223 [0,0,0,0,1,0|1,0,1]=3 70 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,0,0,0,1,0|1,0,0]=2 71 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,0,0,0,1,0|1,0,0]=2 72 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,1,0|1,0,0]=2 73 B10R0.96 CC(=O)CC(=O)CCC(O)=O HMDB0000635 [0,0,0,0,0,1|2,0,1]=4 74 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,0,0,0,0,1|1,0,0]=2 75 B10R0.96 OC(=O)CCC(=O)CC(O)=O HMDB0000398 [0,0,0,0,0,1|1,0,1]=3 76 B10R0.96 OC(CCC(O)=O)CC(O)=O HMDB0000345 [0,0,0,0,0,1|1,0,0]=2 77 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,0,0,0,0,1|1,0,0]=2 78 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,1|1,0,0]=2 79 B10R0.98 N/C(=C/C=C\C(O)=O)C(O)=O HMDB0001241 [0,0,0,0,0,1|0,0,3]=4 80 B10R0.98 NC(CCCC(O)=O)C(O)=O HMDB0000510 [0,0,0,0,0,1|0,0,0]=1 81 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,0,0,0,0,1|0,0,0]=1 82 B10R0.98 OC(=O)CCCC(=O)C(O)=O HMDB0000225 [0,0,0,0,0,1|1,0,1]=3 83 B10R0.98 OC(CCCC(O)=O)C(O)=O HMDB0000321 [0,0,0,0,0,1|1,0,0]=2 84 B10R0.98 O[C@H](CCCC(O)=O)C(O)=O HMDB0000368 [0,0,0,0,0,1|1,0,0]=2 85 B7R0.4 CC(=O)NCCC=O HMDB0012880 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.4 NCCCCC(O)=O HMDB0003355 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|0,0,0]=2 89 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [2,0,0,0,0,0|0,0,1]=3 93 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [2,0,0,0,0,0|0,1,0]=3 96 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [2,0,0,0,0,0|0,1,0]=3 97 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [2,0,0,0,0,0|1,0,0]=3 98 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [2,0,0,0,0,0|0,0,0]=2 100 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [2,0,0,0,0,0|1,1,0]=4 101 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [2,0,0,0,0,0|1,0,1]=4 106 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [1,1,0,0,0,0|0,0,0]=2 108 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [1,1,0,0,0,0|0,1,1]=4 110 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [1,1,0,0,0,0|0,0,0]=2 111 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O HMDB0000366 [1,1,0,0,0,0|1,0,1]=4 113 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [1,1,0,0,0,0|0,0,0]=2 114 B9R0.53 C/C(CC(O)=O)=C\C(O)=O HMDB0000522 [1,1,0,0,0,0|0,0,2]=4 115 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [1,1,0,0,0,0|0,0,0]=2 116 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [1,1,0,0,0,0|0,0,1]=3 117 B9R0.53 OC(CC(O)=O)CC(O)=O HMDB0000428 [1,1,0,0,0,0|0,0,0]=2 118 B9R0.11 CC(C)(CC(O)=O)C(O)=O HMDB0002074 [0,1,0,0,1,0|1,0,0]=3 119 B9R0.57 NC(CP(O)(O)=O)C(O)=O HMDB0000370 [0,1,0,0,1,0|1,0,0]=3 120 B9R0.57 NC(CS(O)(=O)=O)C(O)=O HMDB0002757 [0,1,0,0,1,0|1,0,0]=3 121 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,1,0|1,0,1]=4 122 B9R0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O HMDB0029878 [0,1,0,0,1,0|1,0,0]=3 123 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O HMDB0029402 [0,1,0,0,0,1|0,0,1]=3 124 B11R0.273 CCC(CCCC(O)=O)C(O)=O HMDB0002023 [0,1,0,0,0,1|1,0,0]=3 125 B11R0.318 N[C@@H](CCOP(O)(O)=O)C(O)=O HMDB0003484 [0,1,0,0,0,1|1,0,0]=3 126 B11R0.206 NC(C(O)C(O)C(O)=O)C(O)=O HMDB0030408 [0,2,0,0,0,0|0,0,0]=2 127 B11R0.308 C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O HMDB0011185 [0,2,0,0,0,0|2,0,0]=4 128 B11R0.335 CC(C(O)=O)C(C)(O)CC(O)=O HMDB0002025 [0,2,0,0,0,0|1,0,0]=3 129 B11R0.146 OC(=O)CC[C@H](NC=N)C(O)=O HMDB0000854 [0,2,0,0,0,0|0,0,0]=2 130 B11R0.146 OC(=O)CC[C@H](NC=O)C(O)=O HMDB0003470 [0,2,0,0,0,0|0,0,0]=2 131 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [1,0,0,1,0,0|0,0,0]=2 135 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [1,0,0,1,0,0|0,0,0]=2 136 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [1,0,0,1,0,0|2,0,0]=4 137 B11R1.314 NC(C1CC(=O)NO1)C(O)=O HMDB0030412 [0,0,0,1,0,1|2,0,0]=4 138 B11R1.90 OC(=O)CCC1N=CNC1=O HMDB0001014 [0,1,0,1,0,0|1,0,1]=4 139 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,0,0,0,1,0|1,0,1]=4 140 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [1,0,0,0,1,0|1,0,1]=4 141 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,0,0,2,0|1,0,0]=3 142 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,2,0|2,0,0]=4 143 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,0,0,0,2,0|1,0,0]=3 144 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,0,0,0,2,0|1,0,1]=4 145 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,0,0,0,2,0|0,0,0]=2 146 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,0,0,0,2,0|1,0,1]=4 147 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [1,0,0,0,0,1|1,0,1]=4 148 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [1,0,0,0,0,1|1,0,0]=3 149 B9R0.55 NC(N)=NCCCC(O)=O HMDB0003464 [1,0,0,0,0,1|2,0,0]=4 150 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [1,0,0,0,0,1|0,0,1]=3 151 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [1,0,0,0,0,1|0,0,1]=3 152 B11R0.29 CC(C)=CCSCC(N)C(O)=O HMDB0012286 [0,0,0,0,0,2|2,0,0]=4 153 B11R0.29 NC(CCONC(O)=N)C(O)=O HMDB0012271 [0,0,0,0,0,2|1,0,0]=3 154 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O HMDB0000904 [0,0,0,0,0,2|1,0,0]=3 155 B11R0.29 N[C@H](CCCNC(N)=N)C(O)=O HMDB0003416 [0,0,0,0,0,2|2,0,0]=4