0 B10R0.71 C=CCCCCCCCC=O HMDB0034848 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.71 CCCCC/C=C\C=C\C=O HMDB0036598 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCC/C=C\CCC=C HMDB0041218 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.71 CCCCC/C=C\CCC=O HMDB0041014 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCC/C=C/CC=C HMDB0032712 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,0,0,0,0,0|1,0,3]=4 7 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [0,0,0,0,0,0|0,0,2]=2 8 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,0,0,0,0,0|0,0,4]=4 9 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,0,0,0,0,0|1,0,0]=1 10 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,0,0,0,0,0|1,0,1]=2 11 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,0,0,0,0,0|0,0,2]=2 12 B10R0.71 CCCCCCCCOC=O HMDB0038603 [0,0,0,0,0,0|1,0,0]=1 13 B10R0.71 CSCCCCCCCC#N HMDB0038438 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.71 CSCCCCCCN=C=S HMDB0031574 [0,0,0,0,0,0|2,1,1]=4 15 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,0,0,0,0,0|1,1,1]=3 17 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [1,0,0,0,0,0|0,0,2]=3 18 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|0,0,3]=4 19 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,0,0,0,0,0|0,0,3]=4 22 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|0,0,3]=4 23 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [1,0,0,0,0,0|0,0,2]=3 24 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|0,0,3]=4 25 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,0,0,0,0|0,0,1]=2 26 B9R0.45 CCCCCCCCCO HMDB0031265 [1,0,0,0,0,0|0,0,1]=2 27 B9R0.45 CCCCCCCOC=O HMDB0034459 [1,0,0,0,0,0|1,0,0]=2 28 B9R0.45 CCCCSSCCCC HMDB0029569 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.45 CSCCCCCCC#N HMDB0031890 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.45 SCCCCCCCCS HMDB0040348 [1,0,0,0,0,0|1,1,0]=3 31 B11R0.3 C/C=C/CCCCCCCC=O HMDB0037807 [0,1,0,0,0,0|0,0,1]=2 32 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [0,1,0,0,0,0|0,0,1]=2 33 B11R0.3 CCCCC/C=C\C/C=C/C=O HMDB0033546 [0,1,0,0,0,0|0,0,3]=4 34 B11R0.3 CCCCCC/C=C/C=C/C=O HMDB0031359 [0,1,0,0,0,0|0,0,3]=4 35 B11R0.3 CCCCCCCC/C=C/C=O HMDB0040247 [0,1,0,0,0,0|0,0,1]=2 36 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [0,1,0,0,0,0|0,0,2]=3 37 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [0,1,0,0,0,0|0,0,2]=3 38 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [0,1,0,0,0,0|0,0,0]=1 39 B11R0.3 CCCCCCCCCCCC HMDB0031444 [0,1,0,0,0,0|1,0,1]=3 40 B11R0.3 CCCCCCCCCCCO HMDB0013113 [0,1,0,0,0,0|0,0,2]=3 41 B11R0.3 CSCCCCCCCCC#N HMDB0038437 [0,1,0,0,0,0|1,0,1]=3 42 B11R0.3 CSCCCCCCCN=C=S HMDB0038440 [0,1,0,0,0,0|1,1,1]=4 43 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [0,1,0,0,0,0|1,0,0]=2 44 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.81 CCCCCCC(=O)OCC=C HMDB0040208 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.140 CCCCCC(=O)CCCCC HMDB0030943 [0,1,0,0,0,0|1,0,2]=4 47 B11R0.148 CC(=O)CCCCCCCC=C HMDB0033577 [0,1,0,0,0,0|0,0,2]=3 48 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,1,0,0,0,0|1,0,2]=4 49 B11R0.148 CCC/C=C/CCCCC(O)=O HMDB0041012 [0,1,0,0,0,0|0,0,2]=3 50 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,1,0,0,0,0|0,0,2]=3 51 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,1,0,0,0,0|0,0,2]=3 52 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [0,1,0,0,0,0|1,0,2]=4 53 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,1,0,0,0,0|0,0,2]=3 54 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,1,0,0,0,0|0,0,2]=3 55 B11R0.148 CCCCCCCCCC(C)=O HMDB0033713 [0,1,0,0,0,0|0,0,0]=1 56 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,1,0,0,0,0|0,0,2]=3 57 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,1,0,0,0,0|0,0,0]=1 58 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,1,0,0,0,0|1,0,0]=2 59 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [0,1,0,0,0,0|0,0,2]=3 60 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,0,0,1,0,0|0,0,2]=3 61 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.4 CC/C=C/CCCC=O HMDB0039770 [2,0,0,0,0,0|0,0,2]=4 63 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.4 CCCCCCCC=C HMDB0031270 [2,0,0,0,0,0|0,0,1]=3 65 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|0,0,0]=2 66 B8R0.4 CCCCCCCCO HMDB0001183 [2,0,0,0,0,0|0,0,1]=3 67 B8R0.4 CCCCCCOC=O HMDB0032874 [2,0,0,0,0,0|1,0,0]=3 68 B8R0.4 CCCCSCCCC HMDB0031660 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.4 CCCCSSCCC HMDB0033051 [2,0,0,0,0,0|2,0,0]=4 70 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,1,0,0,0,0|0,0,2]=4 71 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [1,1,0,0,0,0|0,0,1]=3 72 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [1,1,0,0,0,0|0,0,2]=4 73 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,1,0,0,0,0|0,0,2]=4 74 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,1,0,0,0,0|0,0,0]=2 75 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [1,1,0,0,0,0|0,0,1]=3 76 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|1,0,0]=3 78 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,1,0,0,0,0|0,0,2]=4 79 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [1,1,0,0,0,0|0,0,1]=3 80 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [1,1,0,0,0,0|0,0,1]=3 81 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,1,0,0,0,0|0,0,1]=3 82 B10R0.91 CCCCCC(=O)CCC=O HMDB0034716 [1,1,0,0,0,0|0,0,1]=3 83 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [1,1,0,0,0,0|0,0,2]=4 84 B12R0.5 CCCCC/C=C\CC/C=C/C=O HMDB0032531 [0,2,0,0,0,0|0,0,2]=4 85 B12R0.5 CCCCCCC/C=C/C=C/C=O HMDB0039590 [0,2,0,0,0,0|0,0,2]=4 86 B12R0.5 CCCCCCC/C=C/CCC=C HMDB0041081 [0,2,0,0,0,0|1,0,0]=3 87 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [0,2,0,0,0,0|0,0,0]=2 88 B12R0.5 CCCCCCCCCCCC=C HMDB0030930 [0,2,0,0,0,0|1,0,0]=3 89 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [0,2,0,0,0,0|0,0,0]=2 90 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [0,2,0,0,0,0|0,0,2]=4 91 B12R0.5 CSCCCCCCCCN=C=S HMDB0038447 [0,2,0,0,0,0|0,1,1]=4 92 B12R0.206 CCCCCCCC(=O)OCC=C HMDB0040593 [0,2,0,0,0,0|1,0,1]=4 93 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,2,0,0,0,0|0,0,0]=2 94 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [0,2,0,0,0,0|1,0,1]=4 95 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,2,0,0,0,0|0,0,0]=2 96 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,2,0,0,0,0|0,0,0]=2 97 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,2,0,0,0,0|0,0,1]=3 98 B12R0.234 OC/C=C/CCCCCCC(O)=O HMDB0039533 [0,2,0,0,0,0|0,0,2]=4 99 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,2,0,0,0,0|0,0,2]=4 100 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,2,0,0,0,0|0,0,0]=2 101 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [0,2,0,0,0,0|0,0,0]=2 102 B12R0.248 CCCCCCCCCC(C)CC HMDB0037828 [0,2,0,0,0,0|1,0,1]=4 103 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,2,0,0,0,0|1,0,0]=3 104 B12R0.4 CCCCC/C=C\C(C)CC(O)=O HMDB0031063 [0,2,0,0,0,0|0,0,2]=4 105 B12R0.4 CCCCCC/C=C(/C)CC(O)=O HMDB0031062 [0,2,0,0,0,0|0,0,2]=4 106 B12R0.4 CCCCCCCC(=O)CC([O-])=O HMDB0039846 [0,2,0,0,0,0|0,0,1]=3 107 B12R0.57 CCCCCCCCC(OC)OC HMDB0034151 [0,2,0,0,0,0|2,0,0]=4 108 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [0,2,0,0,0,0|0,0,0]=2 109 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,2,0,0,0,0|0,0,1]=3 110 B12R0.111 CCCCCCC(CO)CCCC HMDB0041288 [0,2,0,0,0,0|1,0,1]=4 111 B12R0.233 CC(CCCC(C)=C)CCOC=O HMDB0037185 [0,2,0,0,0,0|1,0,1]=4 112 B12R0.233 CCCCCC(O)CCCC(O)=O HMDB0040329 [0,2,0,0,0,0|0,0,0]=2 113 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [0,2,0,0,0,0|0,0,0]=2 114 B12R0.268 CC(O)CCCCCCCC(O)=O HMDB0033201 [0,2,0,0,0,0|0,0,0]=2 115 B10R1.4 CCCC1CCCOC1=O HMDB0037630 [1,0,0,1,0,0|1,0,0]=3 116 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [1,0,0,1,0,0|0,0,1]=3 117 B10R1.21 CCCCCC1NCCS1 HMDB0040057 [1,0,0,1,0,0|1,1,0]=4 118 B12R1.267 CCCCCC1CCCOC1=O HMDB0037632 [0,1,0,1,0,0|0,0,0]=2 119 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,1,0,1,0,0|0,0,1]=3 120 B12R1.28 CC/C=C/CC1CCCC(=O)O1 HMDB0033700 [0,1,0,1,0,0|0,0,2]=4 121 B12R1.28 CCCCCC1CC=CC(=O)O1 HMDB0034452 [0,1,0,1,0,0|0,0,2]=4 122 B12R1.28 CCCCCC1CCCC(=O)O1 HMDB0037116 [0,1,0,1,0,0|0,0,0]=2 123 B12R1.7 CC/C=C\CCC1CCC(=O)O1 HMDB0040639 [0,1,0,1,0,0|0,0,2]=4 124 B12R1.7 CCCCCCC1CCC(=O)O1 HMDB0037217 [0,1,0,1,0,0|0,0,0]=2 125 B12R1.321 CCCCC1CCCCC(=O)O1 HMDB0033203 [0,1,0,1,0,0|0,0,0]=2 126 B12R1.567 CCCCCC1=C(C)CCC1=O HMDB0031565 [0,1,0,1,0,0|0,0,2]=4 127 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.24 O=C1CCC2CCCCC2O1 HMDB0037276 [0,0,0,2,0,0|1,0,0]=3