0 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.55 NC(N)=NCCCC(O)=O HMDB0003464 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.55 OC(=O)/C=C/C=C/C(O)=O HMDB0002349 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.55 OC(=O)/C=C\C=C/C(O)=O HMDB0006331 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.7 OCCCCCC(O)=O HMDB0012843 [1,0,0,0,0,0|0,0,1]=2 16 B10R0.96 CC(=O)CC(=O)CCC(O)=O HMDB0000635 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.96 OC(=O)CCC(=O)CC(O)=O HMDB0000398 [0,1,0,0,0,0|0,0,1]=2 19 B10R0.96 OC(CCC(O)=O)CC(O)=O HMDB0000345 [0,1,0,0,0,0|0,0,0]=1 20 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,1,0,0,0,0|2,0,0]=3 21 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.98 NC(CCCC(O)=O)C(O)=O HMDB0000510 [0,1,0,0,0,0|0,0,0]=1 23 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.98 OC(=O)CCCC(=O)C(O)=O HMDB0000225 [0,1,0,0,0,0|0,0,1]=2 25 B10R0.98 OC(CCCC(O)=O)C(O)=O HMDB0000321 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.98 O[C@H](CCCC(O)=O)C(O)=O HMDB0000368 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,0,0,1,0,0|0,0,0]=1 28 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,0,0,1,0|2,0,1]=4 29 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,0,0,0,1,0|1,0,1]=3 30 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,0,0,0,1,0|1,0,1]=3 31 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [0,0,0,0,1,0|2,0,0]=3 33 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,0,0,1,0|0,0,2]=3 34 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [0,0,0,0,1,0|0,0,0]=1 35 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [0,0,0,0,1,0|1,0,0]=2 36 B10R0.97 CC(=O)NCCCCC(O)=O HMDB0012175 [0,0,0,0,0,1|1,0,0]=2 37 B10R0.97 CC(O)CCCCCC(O)=O HMDB0000486 [0,0,0,0,0,1|1,0,1]=3 38 B10R0.97 OC(=O)CCCCCC(O)=O HMDB0000857 [0,0,0,0,0,1|0,0,0]=1 39 B10R0.97 OC(=O)CCSCCC(O)=O HMDB0031162 [0,0,0,0,0,1|0,0,0]=1 40 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.4 CC(=O)NCCC=O HMDB0012880 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(O)CCCCO HMDB0031490 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|0,0,1]=3 45 B7R0.4 NCCCCC(N)=O HMDB0012176 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 NCCCCC(O)=O HMDB0003355 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|0,0,0]=2 48 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.7 C/C(=C\CC(O)=O)C(O)=O HMDB0002266 [0,1,0,0,1,0|0,0,2]=4 57 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,1,0,0,1,0|2,0,0]=4 58 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,0,0,1,0|0,0,0]=2 59 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [0,1,0,0,1,0|2,0,0]=4 60 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,1,0,0,1,0|2,0,0]=4 61 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,1,0,0,1,0|1,0,1]=4 62 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,1,0,0,1,0|1,0,0]=3 63 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,1,0,0,1,0|1,0,0]=3 64 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,1,0,0,1,0|0,0,0]=2 65 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,1,0,0,1,0|1,0,0]=3 66 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,1,0,0,1,0|0,0,1]=3 67 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [0,1,0,0,1,0|0,0,0]=2 68 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [0,1,0,0,1,0|0,0,0]=2 69 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [0,1,0,0,1,0|0,0,0]=2 70 B9R0.53 C/C(CC(O)=O)=C\C(O)=O HMDB0000522 [0,1,0,0,1,0|0,0,2]=4 71 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [0,1,0,0,1,0|0,0,0]=2 72 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [0,1,0,0,1,0|0,0,1]=3 73 B9R0.53 OC(CC(O)=O)CC(O)=O HMDB0000428 [0,1,0,0,1,0|0,0,0]=2 74 B11R0.6 CC(CCC=C(C)C)CC(O)=O HMDB0035837 [0,1,0,0,0,1|2,0,0]=4 75 B11R0.29 NC(=N)NCCC[C@H](O)C(O)=O HMDB0003148 [0,1,0,0,0,1|2,0,0]=4 76 B11R0.29 NC(CCONC(O)=N)C(O)=O HMDB0012271 [0,1,0,0,0,1|2,0,0]=4 77 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O HMDB0000904 [0,1,0,0,0,1|1,0,0]=3 78 B11R0.29 N[C@H](CCCNC(N)=N)C(O)=O HMDB0003416 [0,1,0,0,0,1|2,0,0]=4 79 B11R0.318 N[C@@H](CCOP(O)(O)=O)C(O)=O HMDB0003484 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.106 COC(=O)CCCCC(=O)OC HMDB0041606 [0,2,0,0,0,0|0,0,0]=2 81 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O HMDB0029402 [0,2,0,0,0,0|1,0,1]=4 83 B11R0.273 CCC(CCCC(O)=O)C(O)=O HMDB0002023 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.41 NC(=O)N1CCCC1=O HMDB0029874 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,0,0,1,1,0|1,0,0]=3 94 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,0,0,1,1,0|1,0,0]=3 95 B11R1.20 OC1CCC(CC(O)=O)CC1 HMDB0000451 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.20 O[C@H]1CC[C@H](CC(O)=O)CC1 HMDB0000909 [0,1,0,1,0,0|1,0,1]=4 97 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,2,0|1,0,0]=3 98 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,2,0|2,0,0]=4 99 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,0,0,2,0|0,0,2]=4 100 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,0,0,2,0|0,0,2]=4 101 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [0,0,0,0,2,0|0,0,0]=2 102 B11R0.30 OC(=O)CC/C=C\CCC(O)=O HMDB0004982 [0,0,0,0,0,2|0,0,0]=2 103 B11R0.30 OC(=O)CCC/C=C/CC(O)=O HMDB0013312 [0,0,0,0,0,2|0,0,0]=2 104 B11R0.30 OC(=O)CCCC/C=C/C(O)=O HMDB0000341 [0,0,0,0,0,2|0,0,0]=2 105 B11R0.30 OC(=O)CCCCCCC(O)=O HMDB0000893 [0,0,0,0,0,2|0,0,0]=2 106 B11R0.30 OC(=O)CCCNCCC(O)=O HMDB0002201 [0,0,0,0,0,2|0,0,0]=2