0 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,0,0,0|0,0,0]=1 2 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,0,0,0|2,0,1]=4 3 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,1,0,0,0,0|2,0,1]=4 4 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,1,0,0,0,0|1,0,1]=3 5 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,0,1,0,0,0|1,0,2]=4 6 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,0,1,0,0,0|0,0,0]=1 7 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,0,1,0,0,0|1,0,0]=2 8 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,0,1,0,0,0|1,0,1]=3 10 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,0,1,0,0,0|1,0,2]=4 12 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,0,1,0,0,0|1,0,0]=2 13 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,0,1,0,0,0|1,0,2]=4 14 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,0,1,0,0,0|0,0,0]=1 15 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,0,1,0,0,0|0,0,2]=3 18 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,0,1,0,0,0|0,0,2]=3 19 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,0,1,0,0,0|1,0,0]=2 20 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,0,1,0,0,0|1,0,1]=3 22 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,0,1,0,0,0|0,0,0]=1 23 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,0,1,0,0,0|1,0,0]=2 24 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,0,1,0,0,0|1,0,0]=2 25 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,0,1,0,0,0|1,0,1]=3 27 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,0,1,0,0,0|1,0,0]=2 28 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,0,0,0,0,1|1,1,1]=4 29 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,0,1,0,0,0|0,0,2]=4 30 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,1,0,0,0|1,0,0]=3 32 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,1,0,0,0|0,0,0]=2 33 B7R0.1 CCCCCCCC HMDB0001485 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.1 CCCCCCCO HMDB0031479 [1,0,1,0,0,0|0,0,1]=3 35 B7R0.1 CCCCCCCS HMDB0032304 [1,0,1,0,0,0|0,1,1]=4 36 B7R0.1 CCCCCCOC HMDB0032407 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.1 CCCCOCCO HMDB0031327 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.1 CCCCSSCC HMDB0032180 [1,0,1,0,0,0|1,1,0]=4 39 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,1,0,0,0|0,0,2]=4 40 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,1,0,0,0|0,0,0]=2 41 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,1,0,0,0|0,0,0]=2 44 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,0,1,0,0,0|1,0,0]=3 46 B7R0.7 CCOC(C)OCC HMDB0031644 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,0,1,0,0,0|0,0,2]=4 51 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,1,0,0,0|1,0,0]=3 52 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,1,0,0,0|0,0,0]=2 54 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,1,0,0,0|1,0,0]=3 55 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,1,0,0,0|0,0,0]=2 56 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,1,0,0,0|1,0,0]=3 58 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,1,0,0,0|1,0,1]=4 59 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [2,0,0,0,0,0|1,0,1]=4 60 B7R1.2 CC1COC(=O)C1 HMDB0002167 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [2,0,0,0,0,0|0,0,2]=4 62 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,1,1,0,0,0|1,0,0]=3 65 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,1,1,0,0,0|2,0,0]=4 66 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,1,0,0,0|1,0,0]=3 67 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,1,0,0,0|2,0,0]=4 68 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,1,0,0,0|0,0,0]=2 69 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,1,0,0,0|1,0,1]=4 70 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,1,1,0,0,0|2,0,0]=4 71 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,1,1,0,0,0|0,0,1]=3 72 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,1,0,0,0|0,0,1]=3 73 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,1,0,0,0|0,0,1]=3 74 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,1,1,0,0,0|0,0,1]=3 75 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,1,0,0,0|1,0,0]=3 76 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,1,0,0,0|1,0,1]=4 77 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,1,0,0,0|0,0,0]=2 78 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,1,1,0,0,0|1,0,0]=3 79 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,1,0,0,0|1,0,0]=3 80 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,1,1,0,0,0|1,0,1]=4 81 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,1,1,0,0,0|0,0,0]=2 82 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [1,1,0,0,0,0|0,0,2]=4 84 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [0,1,0,0,0,1|0,0,0]=2 87 B11R1.34 CCCC1CC(C)=CC(=O)C1 HMDB0031854 [0,1,0,0,0,1|1,0,1]=4 88 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,2,0,0,0,0|0,0,0]=2 89 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [0,2,0,0,0,0|0,0,2]=4 90 B9R1.6 OC(=O)C1=NCCCC1 HMDB0001084 [0,0,1,1,0,0|1,0,1]=4 91 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [0,0,1,1,0,0|1,0,1]=4 92 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,0,1,1,0,0|0,0,0]=2 93 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,0,1,1,0,0|1,0,0]=3 94 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,0,1,1,0,0|1,0,0]=3 95 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,0,1,1,0,0|1,0,0]=3 96 B11R2.678 O=C1CC2CCCC(C1)N2 HMDB0029613 [0,0,0,1,0,1|1,0,0]=3 97 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,0,1,0,1,0|1,0,1]=4 98 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,0,1,0,1,0|1,0,0]=3 99 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,0,1,0,1,0|2,0,0]=4 100 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,0,1,0,1,0|2,0,0]=4