0 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CCCCCCCC HMDB0001485 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.1 CCCCCCCO HMDB0031479 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CCCCCCCS HMDB0032304 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 CCCCCCOC HMDB0032407 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 CCCCCSSC HMDB0031161 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 CCCCOCCO HMDB0031327 [0,0,0,0,0,0|2,1,0]=3 9 B7R0.1 CCCCSSCC HMDB0032180 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 CCCSSCCC HMDB0031472 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.1 SCCCCCCS HMDB0031709 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCCCCC=O HMDB0005994 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|0,0,0]=1 20 B6R0.6 CCCSSSC HMDB0031871 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.6 CNCCCCN HMDB0003661 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 CSCSCSC HMDB0032547 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 NCCCCCN HMDB0002322 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 NCCNCCN HMDB0031413 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 OCCSCCO HMDB0042033 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,1,0,0,0,0|2,1,0]=4 27 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,0,0,0,0|1,1,0]=3 29 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.4 CCCCCCCC=O HMDB0001140 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.4 CCCCCCCCC HMDB0029595 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.4 CCCCCCCCO HMDB0001183 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.4 CCCCSCCCC HMDB0031660 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.4 NCCCNCCCN HMDB0011634 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,1,0,0,0,0|1,1,1]=4 41 B8R0.6 CSC(C)SSCC=C HMDB0032115 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,0]=2 48 B5R0.2 CCCCCO HMDB0013036 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|0,0,0]=2 51 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,1,0]=4 52 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|0,0,0]=2 53 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 CSCCSC HMDB0031708 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 CSCSSC HMDB0031875 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.2 NCCCCN HMDB0001414 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|0,1,1]=4 60 B7R0.4 CC(O)CCCCO HMDB0031490 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.4 CCCNCC(C)C HMDB0031244 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.4 CSSCCC(C)C HMDB0032408 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,1,0,0,0,0|1,1,0]=4 69 B7R0.7 CCSC(C)CCO HMDB0032277 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,2,0,0,0,0|1,1,0]=4 71 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,2,0,0,0,0|2,0,0]=4 73 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,2,0,0,0,0|1,1,0]=4 74 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,2,0,0,0,0|1,1,0]=4 76 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,2,0,0,0,0|1,1,0]=4 78 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.45 CCCCCCCCCC HMDB0031450 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.45 CCCCCCCCCO HMDB0031265 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.45 CCCCSSCCCC HMDB0029569 [0,2,0,0,0,0|0,0,0]=2 83 B9R0.45 NCCC/C=N/CCCN HMDB0012925 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.45 NCCCCNCCCN HMDB0001257 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.24 C1SCSSCS1 HMDB0031719 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,1,0,1,0,0|2,0,0]=4