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(CCC(O)=O)C(O)=O HMDB0000422 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 C[S+](C)CCC(N)C(O)=O HMDB0038670 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,0,0,0,0,0|0,0,1]=2 11 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [1,0,0,0,0,0|0,0,2]=3 14 B10R0.84 CC(=O)SCC(CS)C(O)=O HMDB0035717 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.84 OCC(NCC(O)=O)C(O)=O HMDB0030393 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.93 CC(CC(=O)C(O)=O)C(O)=O HMDB0039447 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.93 CC(NC(C)C(O)=O)C(O)=O HMDB0033747 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.93 NC(CC(=C)C(O)=O)C(O)=O HMDB0029433 [0,1,0,0,0,0|0,0,1]=2 20 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.93 OC(=O)C(=C)CC(=O)C(O)=O HMDB0037759 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,1,0,0|1,0,1]=3 23 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,0|2,0,0]=3 24 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,0,0,1,0|1,0,2]=4 25 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,0,0,1,0|1,0,2]=4 26 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [0,0,0,0,1,0|2,0,0]=3 27 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,0,0,0,1,0|2,0,1]=4 28 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,1,0|2,0,0]=3 29 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,1,0|1,0,0]=2 31 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,0,0,0,0,1|1,0,0]=2 32 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,0,0,0,0,1|1,0,0]=2 33 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,1|1,0,0]=2 34 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,0,0,0,0,1|0,0,0]=1 35 B7R0.4 CC(=O)CCCC=O HMDB0033568 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|0,0,0]=2 38 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.6 OC(=O)CCN(=O)=O HMDB0034259 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [1,1,0,0,0,0|0,1,1]=4 49 B9R0.47 NC(CSCC=C)C(O)=O HMDB0034323 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0000182 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.47 NCCSCC(N)C(O)=O HMDB0033518 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [1,1,0,0,0,0|0,0,0]=2 53 B9R0.53 C/C(CC(O)=O)=C\C(O)=O HMDB0000522 [1,1,0,0,0,0|0,0,2]=4 54 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,1,0|1,0,1]=4 56 B9R0.79 OC(C(O)C([O-])=O)C(O)=O HMDB0040269 [0,1,0,0,1,0|1,0,1]=4 57 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 58 B9R0.79 O[C@H]([C@@H](O)C(O)=O)C(O)=O HMDB0000956 [0,1,0,0,1,0|1,0,0]=3 59 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O HMDB0029402 [0,1,0,0,0,1|0,0,1]=3 60 B11R0.273 CCC(CCCC(O)=O)C(O)=O HMDB0002023 [0,1,0,0,0,1|1,0,0]=3 61 B11R0.206 NC(C(O)C(O)C(O)=O)C(O)=O HMDB0030408 [0,2,0,0,0,0|0,0,0]=2 62 B11R0.141 CCN=C(O)CCC(N)C(O)=O HMDB0034365 [0,2,0,0,0,0|1,0,0]=3 63 B11R0.275 NCC(NC(=O)C(O)=O)C(O)=O HMDB0038668 [0,2,0,0,0,0|1,0,1]=4 64 B9R1.35 CC(=O)C1CCC(=O)O1 HMDB0038072 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.35 OC(=O)C1CSC(=S)N1 HMDB0041280 [1,0,0,1,0,0|1,1,0]=4 66 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.314 NC(C1CC(=O)NO1)C(O)=O HMDB0030412 [0,0,0,1,0,1|2,0,0]=4 68 B11R1.704 NC(C1CC1C(O)=O)C(O)=O HMDB0034442 [0,0,0,1,0,1|0,0,0]=2 69 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,0,0,0,1,0|1,0,1]=4 70 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,2,0|2,0,0]=4 71 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,0,0,0,2,0|1,0,1]=4 72 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,0,0,0,2,0|1,0,1]=4 73 B7R0.16 OC(C(O)=O)C(O)=O HMDB0035227 [0,0,0,0,2,0|1,0,0]=3 74 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [1,0,0,0,0,1|1,0,0]=3 75 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [1,0,0,0,0,1|0,0,1]=3 76 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [1,0,0,0,0,1|0,0,1]=3 77 B9R0.55 OC(=O)CCCCC(O)=O HMDB0000448 [1,0,0,0,0,1|0,0,0]=2 78 B9R0.55 OC(=O)CCNCC(O)=O HMDB0033550 [1,0,0,0,0,1|0,0,0]=2 79 B11R0.29 NC(CCCCC(O)=O)C(O)=O HMDB0034252 [0,0,0,0,0,2|0,0,0]=2 80 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O HMDB0000517 [0,0,0,0,0,2|2,0,0]=4