0 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 OC1CN[C@@H](C1)C(O)=O HMDB0006055 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O HMDB0000725 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 [C@H]1(CSC(S)=N1)C(O)=O HMDB0041805 [0,0,0,0,0,0|1,1,1]=3 8 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|0,0,3]=4 11 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,0,0,0|0,0,1]=2 14 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,0,0,0|0,0,1]=2 15 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,0,1,0,0,0|2,0,1]=4 16 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,0,1,0,0,0|1,0,1]=3 18 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,0,1,0,0,0|0,0,2]=3 21 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,0,1,0,0,0|1,0,1]=3 22 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,0,1,0,0,0|1,0,1]=3 23 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,0,1,0,0,0|1,0,1]=3 24 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,0,1,0,0,0|2,0,0]=3 25 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,0,1,0,0,0|0,0,0]=1 26 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,0,1,0,0,0|0,0,0]=1 27 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,0,1,0,0,0|2,0,0]=3 29 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [0,0,1,0,0,0|1,0,0]=2 30 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [0,0,1,0,0,0|0,0,2]=3 32 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,0,1,0,0,0|0,0,0]=1 37 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,0,1,0,0,0|3,0,0]=4 40 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,0,1,0,0,0|3,0,0]=4 43 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,0,1,0,0,0|1,0,2]=4 47 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,0,1,0,0,0|1,0,2]=4 48 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [0,0,1,0,0,0|2,0,0]=3 49 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [0,0,1,0,0,0|1,0,0]=2 50 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,0,0|1,0,2]=4 51 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [0,0,1,0,0,0|1,0,0]=2 52 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,0,0,0,0,1|1,0,2]=4 54 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,0,0,1|0,0,2]=3 55 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,0,0,0,0,1|1,0,0]=2 56 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,1,0,0,0|0,0,1]=3 62 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,1,0,0,0|0,0,0]=2 63 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,1,0,0,0|1,0,1]=4 66 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,0,1,0,0,0|1,0,1]=4 67 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,0,1,0,0,0|0,0,1]=3 68 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,0,1,0,0,0|0,1,0]=3 71 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,0,1,0,0,0|0,1,0]=3 72 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,0,1,0,0,0|1,0,0]=3 73 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [1,0,1,0,0,0|0,0,0]=2 74 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,0,1,0,0,0|0,0,1]=3 75 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [1,0,1,0,0,0|1,1,0]=4 76 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,0,1,0,0,0|1,0,0]=3 78 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,0,1,0,0,0|0,0,0]=2 79 B7R0.6 NC(=N)NCC(O)=O HMDB0000128 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [1,0,1,0,0,0|0,0,2]=4 83 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [2,0,0,0,0,0|1,0,1]=4 84 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,1,1,0,0,0|1,0,0]=3 85 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,1,0,0,0|1,0,0]=3 86 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [0,1,1,0,0,0|2,0,0]=4 87 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,1,1,0,0,0|1,0,0]=3 88 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,1,1,0,0,0|1,0,1]=4 89 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,1,1,0,0,0|1,0,0]=3 90 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,1,1,0,0,0|2,0,0]=4 91 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,1,1,0,0,0|0,0,0]=2 92 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,1,1,0,0,0|0,0,0]=2 93 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,1,1,0,0,0|0,0,0]=2 94 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,1,1,0,0,0|1,0,1]=4 95 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [0,1,1,0,0,0|1,0,0]=3 96 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [0,1,1,0,0,0|1,0,0]=3 98 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [0,1,1,0,0,0|0,0,0]=2 99 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [0,1,1,0,0,0|1,0,1]=4 100 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,1,1,0,0,0|0,1,1]=4 101 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [0,1,1,0,0,0|0,0,0]=2 102 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [0,1,1,0,0,0|1,0,1]=4 103 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [0,1,1,0,0,0|0,0,0]=2 104 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,1,1,0,0,0|1,0,1]=4 105 B9R0.48 OC(=O)CNC(=O)CC=C HMDB0000894 [0,1,1,0,0,0|0,0,1]=3 106 B9R0.15 CCCC(/C=C/C)C(O)=O HMDB0013904 [0,1,1,0,0,0|2,0,0]=4 107 B9R0.15 CCCC(/C=C\C)C(O)=O HMDB0013903 [0,1,1,0,0,0|2,0,0]=4 108 B9R0.15 CCCC(CC=C)C(O)=O HMDB0013897 [0,1,1,0,0,0|2,0,0]=4 109 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O HMDB0002931 [0,1,1,0,0,0|1,0,0]=3 110 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O HMDB0001890 [0,1,1,0,0,0|1,0,0]=3 111 B9R0.11 CC(C)(CC(O)=O)C(O)=O HMDB0002074 [0,1,1,0,0,0|2,0,0]=4 112 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,1,1,0,0,0|1,0,0]=3 113 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [0,1,1,0,0,0|1,0,0]=3 114 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O HMDB0012115 [0,1,1,0,0,0|1,0,1]=4 115 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.53 OC(CC(O)=O)CC(O)=O HMDB0000428 [0,1,1,0,0,0|1,0,0]=3 117 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [1,1,0,0,0,0|0,0,1]=3 119 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [1,1,0,0,0,0|0,0,1]=3 120 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [1,1,0,0,0,0|0,0,1]=3 121 B11R1.74 CC1CS(=O)CC(N1)C(O)=O HMDB0029417 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.74 OC(=O)C1CC(=O)NC(=O)N1 HMDB0000528 [0,1,0,0,0,1|0,0,1]=3 123 B11R1.74 OC(=O)[C@@H]1CC(=O)NC(=O)N1 HMDB0003349 [0,1,0,0,0,1|0,0,1]=3 124 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,0,1,1,0,0|1,0,1]=4 125 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,0,1,1,0,0|1,0,1]=4 126 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,0,1,1,0,0|1,0,1]=4 127 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,1,0,1,0|1,0,0]=3 128 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,1,0,1,0|0,0,0]=2 129 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,0,1,0,1,0|0,0,1]=3 130 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,0,1,0,1,0|1,0,0]=3 131 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,0,1,0,1,0|0,0,2]=4 132 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,0,1,0,1,0|0,0,2]=4 133 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,0,1,0,1,0|0,0,2]=4 134 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,0,1,0,1,0|0,0,2]=4 135 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,0,1,0,1,0|2,0,0]=4 136 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,0,1,0|0,0,0]=2 137 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [0,0,1,0,0,1|1,0,1]=4 138 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,0,1,0,0,1|1,0,0]=3 139 B9R0.55 NC(N)=NCCCC(O)=O HMDB0003464 [0,0,1,0,0,1|1,0,0]=3 140 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [0,0,1,0,0,1|1,0,1]=4 141 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [0,0,1,0,0,1|1,0,1]=4 142 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [1,0,0,0,0,1|0,0,1]=3 143 B11R1.497 OC(=O)C1CCONC(=N)N1 HMDB0030402 [0,0,0,0,0,2|1,0,0]=3