0 B9R1.35 CC(=O)C1CCC(=O)O1 HMDB0038072 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(O)C1CCC(=O)O1 HMDB0033286 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 OC(=O)C1CSC(=S)N1 HMDB0041280 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 OC1CNC(C1)C(O)=O HMDB0036576 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 CC(=O)C1CCCN1 HMDB0037293 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 CC(=O)C1CCSS1 HMDB0040230 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [0,0,1,0,0,0|2,0,0]=3 14 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,0,1,0,0,0|0,0,2]=3 17 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,0,1,0,0,0|1,0,1]=3 18 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [0,0,1,0,0,0|2,0,0]=3 23 B8R0.23 CC(OC(C)=O)C(C)=O HMDB0033698 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,0,0|1,0,2]=4 29 B10R1.13 CC(=O)C1CCC(C)=CC1 HMDB0033434 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,0,0,1|0,0,2]=3 31 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.3 CCC(=O)SCC=C HMDB0037493 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.4 CC(=O)CCCC=O HMDB0033568 [1,0,1,0,0,0|1,0,0]=3 35 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,1,0,0,0|0,0,0]=2 39 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,1,0,0,0|1,0,0]=3 40 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,1,0,0,0|1,0,1]=4 41 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.6 CC(=O)COC(C)=O HMDB0034466 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [1,0,1,0,0,0|1,0,1]=4 46 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,1,0,0,0|1,0,0]=3 50 B9R0.7 C[S+](C)CCC(N)C(O)=O HMDB0038670 [0,1,1,0,0,0|2,0,0]=4 51 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,1,1,0,0,0|1,0,1]=4 52 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,1,1,0,0,0|2,0,0]=4 53 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,1,1,0,0,0|0,0,0]=2 54 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [0,1,1,0,0,0|1,0,1]=4 56 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,1,1,0,0,0|0,1,1]=4 57 B9R0.47 NC(CSCC=C)C(O)=O HMDB0034323 [0,1,1,0,0,0|1,0,0]=3 58 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0000182 [0,1,1,0,0,0|1,0,1]=4 59 B9R0.47 NCCSCC(N)C(O)=O HMDB0033518 [0,1,1,0,0,0|1,0,1]=4 60 B9R0.24 COC(=O)CCC(=O)OC HMDB0033837 [0,1,1,0,0,0|2,0,0]=4 61 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,1,1,0,0,0|1,0,1]=4 62 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,1,1,0,0,0|2,0,0]=4 63 B9R0.15 CCCC(/C=C/C)C(O)=O HMDB0013904 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.15 CCCC(/C=C\C)C(O)=O HMDB0013903 [0,1,1,0,0,0|2,0,0]=4 65 B9R0.15 CCCC(CC=C)C(O)=O HMDB0013897 [0,1,1,0,0,0|2,0,0]=4 66 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,1,1,0,0,0|1,0,0]=3 67 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [0,1,1,0,0,0|1,0,0]=3 68 B9R1.22 OCC1OC(=O)CC1O HMDB0033958 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [1,1,0,0,0,0|0,0,1]=3 71 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [1,1,0,0,0,0|0,0,1]=3 72 B11R1.74 CC1CS(=O)CC(N1)C(O)=O HMDB0029417 [0,1,0,0,0,1|1,0,1]=4 73 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,1,0,1,0|0,0,0]=2 74 B7R0.16 OC(C(O)=O)C(O)=O HMDB0035227 [0,0,1,0,1,0|2,0,0]=4 75 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [1,0,0,0,1,0|2,0,0]=4 76 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,0,1,0|0,0,0]=2 77 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,0,1,0,0,1|1,0,0]=3 78 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [0,0,1,0,0,1|1,0,1]=4 79 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [0,0,1,0,0,1|1,0,1]=4 80 B9R0.55 OC(=O)CCCCC(O)=O HMDB0000448 [0,0,1,0,0,1|1,0,0]=3 81 B9R0.55 OC(=O)CCNCC(O)=O HMDB0033550 [0,0,1,0,0,1|1,0,0]=3 82 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [1,0,0,0,0,1|0,0,1]=3 83 B11R1.497 OC(=O)C1CCONC(=N)N1 HMDB0030402 [0,0,0,0,0,2|1,0,0]=3