0 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.6 OC(=O)C1=NCCCC1 HMDB0001084 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 O=COC1CCCCC1 HMDB0031351 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.23 COC(=O)C1=CCCN(C)C1 HMDB0030353 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,0,1,0,0,0|0,0,2]=3 12 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,0,1,0,0,0|1,0,0]=2 13 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,0,1,0,0,0|0,0,0]=1 14 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,0,1,0,0,0|1,0,2]=4 15 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,0,1,0,0,0|2,0,0]=4 17 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,0,1,0,0,0|0,0,0]=2 18 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,0,1,0,0,0|0,0,2]=4 19 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,0,1,0,0,0|0,0,2]=4 20 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [1,0,1,0,0,0|1,0,1]=4 21 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,0,1,0,0,0|1,0,0]=3 22 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,0,1,0,0,0|2,0,0]=4 23 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,0,1,0,0,0|1,0,0]=3 24 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [1,0,1,0,0,0|0,0,2]=4 25 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [1,0,1,0,0,0|1,0,1]=4 27 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,0,1,0,0,0|0,0,0]=2 28 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,0,1,0,0,0|1,0,0]=3 29 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,0,1,0,0,0|1,0,0]=3 30 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,0,1,0,0,0|2,0,0]=4 33 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,0,1,0,0,0|2,0,0]=4 36 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [1,0,1,0,0,0|1,0,0]=3 37 B8R0.4 CCCCCCCCC HMDB0029595 [1,0,1,0,0,0|1,0,1]=4 38 B8R0.7 CC(=O)NCCCCN HMDB0002064 [1,0,1,0,0,0|2,0,0]=4 39 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,0,1,0,0,0|0,0,2]=4 40 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,0,1,0,0,0|0,0,2]=4 41 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,1,0,0,0|0,0,0]=2 42 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,0,1,0,0,0|1,0,1]=4 43 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,0,1,0,0,0|0,0,2]=4 44 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,1,0,0,0|0,0,0]=2 45 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [1,0,1,0,0,0|1,0,0]=3 46 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,0,1,0,0,0|1,0,0]=3 47 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.7 OCCCCCC(O)=O HMDB0012843 [1,0,1,0,0,0|1,0,0]=3 50 B8R1.2 O=CN1CCCCC1 HMDB0031702 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,1,1,0,0,0|1,0,0]=3 52 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,1,1,0,0,0|0,0,0]=2 53 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,1,1,0,0,0|2,0,0]=4 54 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,1,1,0,0,0|0,0,2]=4 55 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,1,1,0,0,0|0,0,2]=4 56 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,1,1,0,0,0|0,0,1]=3 57 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,1,1,0,0,0|0,0,1]=3 58 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,1,1,0,0,0|0,0,1]=3 59 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [0,1,1,0,0,0|0,0,1]=3 60 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,1,1,0,0,0|1,0,0]=3 61 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,1,1,0,0,0|0,0,0]=2 62 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,1,1,0,0,0|1,0,0]=3 63 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [0,1,1,0,0,0|2,0,0]=4 64 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [1,0,0,0,1,0|1,0,1]=4 70 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,0,1,0|1,0,1]=4 71 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,0,1,0|1,0,0]=3 73 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,0,1,0|1,0,0]=3