0 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|0,0,1]=2 13 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,0,0,0,0,0|0,0,1]=2 15 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.6 NC(=N)NCC(O)=O HMDB0000128 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,0,0,0,0,0|1,0,0]=2 30 B9R0.7 CC(C)C(=O)NCC(O)=O HMDB0000730 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0006899 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0028687 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,0,0|1,0,1]=3 36 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [0,1,0,0,0,0|0,0,2]=3 37 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|1,0,1]=3 42 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,0,0,1,0,0|2,1,0]=4 45 B9R1.69 CC1NC(=O)CNC1=O HMDB0031547 [0,0,0,1,0,0|3,0,0]=4 46 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,0,0,0,1,0|2,0,1]=4 47 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,0,0,0,1,0|0,0,0]=1 48 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,0,0,0,1,0|1,0,1]=3 49 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,0,0,0,1,0|0,0,2]=3 50 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,0,0,0,1,0|0,1,1]=3 51 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,0,0,0,1,0|1,1,1]=4 52 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,0,0,0,0,1|1,0,1]=3 53 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,0,0,0,0,1|1,0,0]=2 54 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 57 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,1]=3 61 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,1]=3 62 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,1,0]=3 65 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,1]=3 68 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|0,0,0]=2 69 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.6 CC/C=C\CC=O HMDB0031498 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 CCC=CCC=O HMDB0031497 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|1,0,1]=4 73 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|0,0,1]=3 75 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,1]=3 76 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,1,0,0,0,0|0,0,1]=3 79 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,1,0,0,0,0|0,0,1]=3 84 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,1,0,0,0,0|0,1,1]=4 90 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,1,0,0,0,0|1,0,0]=3 91 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [1,1,0,0,0,0|1,0,0]=3 104 B8R0.23 N[C@@H](CS(=O)=O)C(O)=O HMDB0000996 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [1,1,0,0,0,0|1,0,0]=3 106 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [1,1,0,0,0,0|1,0,0]=3 107 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.23 OC(=O)CC(=N)C(O)=O HMDB0001131 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.23 OC(=O)CC(=O)C(O)=O HMDB0000223 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,1,0,0,1,0|2,0,0]=4 114 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,1,0,0,1,0|0,0,2]=4 115 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,2,0,0,0,0|2,0,0]=4 116 B10R0.96 CC(=O)CC(=O)CCC(O)=O HMDB0000635 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [0,0,0,1,1,0|2,0,0]=4 120 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,0,0,1,0,1|2,0,0]=4 121 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [0,1,0,1,0,0|1,0,1]=4 122 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,0,0,1,0|1,0,0]=3 123 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,0,0,0,1,0|2,0,0]=4 124 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,0,0,0,1,0|0,0,0]=2 125 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,0,0,0,1,0|0,0,0]=2 126 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,0,0,0,1,0|1,0,0]=3 127 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,0,0,0,1,0|1,0,1]=4 128 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,0,0,0,1,0|1,0,1]=4 129 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,0,0,0,1,0|1,0,1]=4 130 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,1,0|1,0,1]=4 131 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,1,0|1,0,1]=4 132 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,0,0,0,1,0|0,0,2]=4 133 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,0,0,0,1,0|0,1,1]=4 134 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,0,0,0,1,0|2,0,0]=4 135 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,0,0,0,1,0|0,0,2]=4 136 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,0,0,0,1,0|0,0,2]=4 137 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [1,0,0,0,1,0|1,0,0]=3 138 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,2,0|1,0,0]=3 139 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,0,0,0,2,0|2,0,0]=4 140 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,0,0,0,2,0|1,0,0]=3 141 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,0,0,0,2,0|1,0,1]=4