0 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O HMDB0002931 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O HMDB0001890 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [1,0,0,0,0,0|1,1,0]=3 8 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [1,0,0,0,0,0|2,1,0]=4 13 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [1,0,0,0,0,0|2,1,0]=4 14 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [1,0,0,0,0,0|2,1,0]=4 15 B10R0.53 NCC(=O)NC(CO)C(O)=O HMDB0028850 [0,1,0,0,0,0|0,1,0]=2 16 B10R0.53 NCC(=O)NC(CS)C(O)=O HMDB0028838 [0,1,0,0,0,0|0,0,0]=1 17 B10R0.162 CC(C)C(NC(C)=O)C(O)=O HMDB0011757 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,0,0,0,1,0|2,0,0]=3 19 B10R0.84 CC(=O)SCC(CS)C(O)=O HMDB0035717 [0,0,0,0,0,1|1,0,0]=2 20 B10R0.84 OCC(NCC(O)=O)C(O)=O HMDB0030393 [0,0,0,0,0,1|1,1,0]=3 21 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [2,0,0,0,0,0|0,1,1]=4 27 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [2,0,0,0,0,0|0,0,0]=2 29 B7R0.6 NC(=N)NCC(O)=O HMDB0000128 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.15 CCCC(/C=C/C)C(O)=O HMDB0013904 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.15 CCCC(/C=C\C)C(O)=O HMDB0013903 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.11 CC(C)(CC(O)=O)C(O)=O HMDB0002074 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.76 CC[C@](O)(C(C)=O)C(O)=O HMDB0006900 [0,1,0,0,1,0|1,0,0]=3 35 B11R0.32 CC(=O)N[C@@H](CC(O)=O)C(O)=O HMDB0000812 [0,1,0,0,0,1|0,1,1]=4 36 B11R0.275 CC(N)C(=O)NC(CS)C(O)=O HMDB0028684 [0,1,0,0,0,1|1,0,1]=4 37 B11R0.160 CC(=O)N[C@@H](CCC=O)C(O)=O HMDB0006488 [0,2,0,0,0,0|0,1,0]=3 38 B11R0.160 CC(=O)N[C@@H](CCCN)C(O)=O HMDB0003357 [0,2,0,0,0,0|1,0,0]=3 39 B11R0.160 CSCCC(NC(C)=O)C(O)=O HMDB0011745 [0,2,0,0,0,0|0,0,0]=2 40 B11R0.108 CC(C)C(NC(=O)CN)C(O)=O HMDB0028854 [0,2,0,0,0,0|1,0,0]=3 41 B11R0.108 CC(O)C(NC(=O)CN)C(O)=O HMDB0028851 [0,2,0,0,0,0|0,1,0]=3 42 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.35 [C@H]1(CSC(S)=N1)C(O)=O HMDB0041805 [1,0,0,1,0,0|0,1,1]=4 50 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [1,0,0,1,0,0|0,1,1]=4 52 B9R1.69 CC1NC(=O)CNC1=O HMDB0031547 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.74 OC(=O)C1CC(=O)NC(=O)N1 HMDB0000528 [0,1,0,1,0,0|1,1,0]=4 54 B11R1.74 OC(=O)[C@@H]1CC(=O)NC(=O)N1 HMDB0003349 [0,1,0,1,0,0|1,1,0]=4 55 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [1,0,0,0,1,0|1,0,0]=3 56 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [1,0,0,0,1,0|0,0,0]=2 57 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [1,0,0,0,1,0|0,0,1]=3 58 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [1,0,0,0,1,0|1,0,0]=3 59 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [1,0,0,0,1,0|0,0,2]=4 60 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [1,0,0,0,1,0|0,0,2]=4 61 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [1,0,0,0,1,0|0,0,2]=4 62 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [1,0,0,0,1,0|0,0,2]=4 63 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [1,0,0,0,1,0|2,0,0]=4 64 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [1,0,0,0,0,1|2,0,0]=4 65 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [1,0,0,0,0,1|2,0,0]=4 66 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [1,0,0,0,0,1|1,0,0]=3 67 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [1,0,0,0,0,1|2,0,0]=4