0 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.2 CCCCCCCC(C)O HMDB0033916 [1,0,0,0,0,0|0,0,0]=1 9 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,0,0,0,0|0,0,0]=1 17 B9R0.45 CCCCCCCCCO HMDB0031265 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.45 CCCCCCCOC=O HMDB0034459 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 CCCCSSCCCC HMDB0029569 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.45 CSCCCCCCC#N HMDB0031890 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.45 SCCCCCCCCS HMDB0040348 [1,0,0,0,0,0|2,0,0]=3 22 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,0,0,0,0,0|0,0,2]=3 23 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.46 CCCCCCC(O)CC HMDB0031732 [1,0,0,0,0,0|0,0,0]=1 27 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.46 CCCCCOC(C)OC HMDB0038679 [1,0,0,0,0,0|3,0,0]=4 29 B11R0.4 CCCCC/C=C/C(C)CCO HMDB0031065 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,1,0,0,0,0|0,0,2]=3 32 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,1,0,0,0,0|1,0,2]=4 33 B11R0.4 CCCCCCOC(C)OCC HMDB0037639 [0,1,0,0,0,0|2,0,0]=3 34 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,1,0,0,0,0|1,0,2]=4 35 B11R0.42 CCCCCCOC(=O)C(C)C HMDB0037849 [0,1,0,0,0,0|1,0,2]=4 36 B11R0.124 CCCCCCCC(OC)OC HMDB0040267 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,0,0,1,0,0|1,0,2]=4 38 B11R1.27 CCCCCC1OCC(C)O1 HMDB0037288 [0,0,0,1,0,0|3,0,0]=4 39 B11R1.40 CCC(=O)OC1CCCCC1 HMDB0036222 [0,0,0,1,0,0|1,0,2]=4 40 B11R1.222 CCC(C)C1CCCCC1=O HMDB0040448 [0,0,0,1,0,0|2,0,1]=4 41 B8R0.4 CC/C=C\CCCCO HMDB0031298 [2,0,0,0,0,0|0,0,2]=4 42 B8R0.4 CCCC/C=C/CCO HMDB0035768 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.4 CCCC/C=C\CCO HMDB0035231 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.4 CCCCC/C=C\CO HMDB0031296 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.4 CCCCCCCC=C HMDB0031270 [2,0,0,0,0,0|0,0,2]=4 46 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|0,0,0]=2 47 B8R0.4 CCCCCCCCO HMDB0001183 [2,0,0,0,0,0|0,0,0]=2 48 B8R0.4 CCCCSCCCC HMDB0031660 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.4 CCCCSSCCC HMDB0033051 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.7 CC(O)CCCCC=C HMDB0037181 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.7 CCCCCCC(C)=O HMDB0031294 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.7 CCCCCCC(C)C HMDB0031556 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.7 CCCCCCC(C)O HMDB0034261 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.7 CCCCCCC(O)=O HMDB0000666 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.6 CCCCCC(=O)CC HMDB0031295 [2,0,0,0,0,0|0,0,2]=4 57 B8R0.6 CCCCCC(O)C=C HMDB0031299 [2,0,0,0,0,0|0,0,2]=4 58 B8R0.6 CCCCCC(O)CC HMDB0030070 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.6 CCCCCC(S)SC HMDB0039783 [2,0,0,0,0,0|1,1,0]=4 60 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,1,0,0,0,0|0,0,2]=4 63 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|0,0,2]=4 66 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [1,1,0,0,0,0|0,0,0]=2 70 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.1 CCCCCOC(C)OCC HMDB0037634 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [1,1,0,0,0,0|0,0,2]=4 73 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,1,0,0,0,0|0,0,1]=3 74 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,1,0,0,0,0|0,0,2]=4 75 B10R0.71 CCCCCCCCCC=C HMDB0029551 [1,1,0,0,0,0|0,0,1]=3 76 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.71 CCCCCCCCOC=O HMDB0038603 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.71 CSCCCCCCCC#N HMDB0038438 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.71 NCCCCNCCCCN HMDB0031506 [1,1,0,0,0,0|2,0,0]=4 81 B10R0.71 SCCCCCCCCCS HMDB0031710 [1,1,0,0,0,0|1,0,0]=3 82 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.91 CCCCCC(=O)SCCC HMDB0039466 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [1,1,0,0,0,0|1,0,0]=3 86 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,2,0,0,0,0|0,0,2]=4 87 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,2,0,0,0,0|0,0,2]=4 88 B12R0.49 CCCCCCOC(=O)C(C)CC HMDB0039215 [0,2,0,0,0,0|1,0,1]=4 89 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [0,2,0,0,0,0|0,0,2]=4 90 B12R0.57 CCCCCCCCC(OC)OC HMDB0034151 [0,2,0,0,0,0|1,0,0]=3 91 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [0,2,0,0,0,0|1,0,1]=4 92 B12R0.248 CCCCCCCCCC(C)CC HMDB0037828 [0,2,0,0,0,0|1,0,0]=3 93 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,2,0,0,0,0|0,0,2]=4 94 B12R0.251 CCCCCCCOC(=O)C(C)C HMDB0040171 [0,2,0,0,0,0|0,0,2]=4 95 B12R0.46 CCCCCCC(C)C(C)C(C)C HMDB0030313 [0,2,0,0,0,0|1,0,0]=3 96 B12R0.324 CCCCCCC(C)C(C)(C)CC HMDB0030306 [0,2,0,0,0,0|1,0,0]=3 97 B12R0.150 CCC(C)CCCCCC(C)(C)C HMDB0030315 [0,2,0,0,0,0|1,0,0]=3 98 B12R0.240 CCC(C)CC(C)CCCC(C)C HMDB0030307 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [1,0,0,1,0,0|1,1,0]=4 101 B10R1.16 CCCCC1CCC(=O)O1 HMDB0035422 [1,0,0,1,0,0|1,0,1]=4 102 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [1,0,0,1,0,0|1,0,1]=4 104 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [1,0,0,1,0,0|0,0,0]=2 105 B10R1.21 CCCCCC1NCCS1 HMDB0040057 [1,0,0,1,0,0|2,0,0]=4 106 B12R1.28 CCCCCC1CCOC(C)O1 HMDB0032155 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.7 CCCCCCC1CCC(=O)O1 HMDB0037217 [0,1,0,1,0,0|0,0,2]=4 108 B12R1.7 CCCCCCC1OCC(C)O1 HMDB0032302 [0,1,0,1,0,0|2,0,0]=4 109 B12R1.457 CCCCCC1OC(C)C(C)O1 HMDB0032315 [0,1,0,1,0,0|2,0,0]=4