0 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 CCCCC(C)C=O HMDB0040191 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CC(=O)CCCC=O HMDB0033568 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,0,0,0,0|0,1,0]=2 25 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,0,0,0,0,0|1,1,1]=4 27 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.7 C[S+](C)CCC(N)C(O)=O HMDB0038670 [0,1,0,0,0,0|0,0,1]=2 30 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.13 CCCCC(CO)C(C)=O HMDB0036165 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.42 CCS(=O)CC(N)C(O)=O HMDB0037057 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,1,0,0,0,0|2,0,0]=3 39 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.47 NC(CSCC=C)C(O)=O HMDB0034323 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0000182 [0,1,0,0,0,0|1,0,0]=2 44 B9R0.47 NCCSCC(N)C(O)=O HMDB0033518 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.35 OC(=O)C1CSC(=S)N1 HMDB0041280 [0,0,0,1,0,0|3,0,0]=4 48 B6R0.1 CCCC(C)C=O HMDB0031578 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 CCCC(O)C=C HMDB0031503 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,0]=2 52 B6R0.4 CCCOC(C)=O HMDB0034237 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CCCSC(C)=O HMDB0033856 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 CSCCC(C)O HMDB0041476 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|0,0,0]=2 58 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|0,1,1]=4 60 B6R0.6 C/C=C/CCC=O HMDB0040271 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 C/C=C\CCC=O HMDB0033549 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCCCOC=O HMDB0040575 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.6 CSCCCC=O HMDB0037474 [2,0,0,0,0,0|0,0,0]=2 65 B6R0.6 CSCCCCO HMDB0041562 [2,0,0,0,0,0|0,0,1]=3 66 B6R0.6 O=CCCCC=O HMDB0029599 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.3 CCC(O)C(C)=O HMDB0031516 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.3 CCC(S)C(C)=O HMDB0034896 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.3 CSC(C)C(C)=O HMDB0041558 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.3 OCC(O)C(O)=O HMDB0031818 [2,0,0,0,0,0|1,1,0]=4 74 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.7 CCCCCOC(C)=O HMDB0039095 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.2 CCC(C)C(N)C(O)=O HMDB0033923 [1,1,0,0,0,0|0,0,0]=2 85 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [1,1,0,0,0,0|0,0,0]=2 87 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [1,1,0,0,0,0|0,1,0]=3 88 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [1,1,0,0,0,0|1,0,0]=3 91 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [1,1,0,0,0,0|0,0,0]=2 93 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [1,1,0,0,0,0|0,0,1]=3 95 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [1,1,0,0,0,0|0,1,1]=4 96 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,2,0,0,0,0|0,0,1]=3 97 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.86 CCCCCC(CC)C(O)=O HMDB0030331 [0,2,0,0,0,0|2,0,0]=4 99 B10R0.26 C/C=C\S(=O)CC(N)C(O)=O HMDB0029441 [0,2,0,0,0,0|1,0,1]=4 100 B10R0.26 CCCS(=O)CC(N)C(O)=O HMDB0029442 [0,2,0,0,0,0|1,0,0]=3 101 B10R0.26 NC(CS(=O)CC=C)C(O)=O HMDB0033592 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.75 NC(CSSCC=C)C(O)=O HMDB0038669 [0,2,0,0,0,0|1,0,0]=3 103 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,2,0,0,0,0|1,0,0]=3 104 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,2,0,0,0,0|0,1,0]=3 105 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.7 CC(=O)C1CCSS1 HMDB0040230 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [1,0,0,1,0,0|1,0,0]=3 111 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,0,0,1,0,1|2,0,0]=4 112 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,0,0,1,0,1|2,0,0]=4 113 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,0,0,1,0,1|2,0,0]=4 114 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,1,0,1,0,0|1,0,0]=3 116 B10R1.15 CCC(=O)C1CCCCN1 HMDB0033364 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.31 OCC1CNC(C1)C(O)=O HMDB0029425 [0,1,0,1,0,0|2,0,0]=4 119 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,0,0,0,0,2|2,0,0]=4