0 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.1 CCCCCCC#CC(=O)OCC HMDB0036215 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 CCCCCCCC/C=C/C=O HMDB0040247 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [1,0,0,0,0,0|2,0,0]=3 6 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [1,0,0,0,0,0|2,0,0]=3 7 B11R0.3 CCCCCCCCCCCC HMDB0031444 [1,0,0,0,0,0|1,0,1]=3 8 B11R0.3 CCCCCCCCCCCO HMDB0013113 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [1,0,0,0,0,0|0,0,2]=3 10 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [1,0,0,0,0,0|0,0,2]=3 11 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [1,0,0,0,0,0|0,0,2]=3 12 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [1,0,0,0,0,0|0,0,0]=1 13 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [1,0,0,0,0,0|2,0,0]=3 15 B11R0.4 CCCCCCOC(C)OCC HMDB0037639 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.40 CCCCC/C=C\CC(=O)OC HMDB0029859 [1,0,0,0,0,0|0,0,2]=3 17 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [1,0,0,0,0,0|0,0,2]=3 18 B11R0.40 CCCCCCC#CC(=O)OC HMDB0031273 [1,0,0,0,0,0|0,0,2]=3 19 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [1,0,0,0,0,0|0,0,0]=1 20 B13R0.2 CCCCC/C=C/CCC(=O)OCC HMDB0039220 [0,1,0,0,0,0|0,0,1]=2 21 B13R0.2 CCCCC/C=C\C=C\C(=O)OCC HMDB0036599 [0,1,0,0,0,0|0,0,3]=4 22 B13R0.2 CCCCC/C=C\COC(=O)CCC HMDB0038081 [0,1,0,0,0,0|1,0,2]=4 23 B13R0.2 CCCCCCC/C=C/C(=O)OCC HMDB0037329 [0,1,0,0,0,0|0,0,1]=2 24 B13R0.2 CCCCCCCCCC(=O)OCC HMDB0030998 [0,1,0,0,0,0|0,0,0]=1 25 B13R0.2 CCCCCCCCOC(=O)CCC HMDB0034136 [0,1,0,0,0,0|1,0,0]=2 26 B13R0.66 CCCCCCCCC(=O)OCC=C HMDB0029763 [0,1,0,0,0,0|0,0,1]=2 27 B13R0.335 CCCCCCCCC(=O)OC(C)C HMDB0034128 [0,1,0,0,0,0|0,0,0]=1 28 B13R0.335 CCCCCCCCC(C)CC(C)C HMDB0040376 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.6 CCCCCCC1CCCC(=O)O1 HMDB0036784 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.6 CCCCCCC1COCC(=O)O1 HMDB0039582 [0,0,0,1,0,0|3,0,0]=4 31 B13R1.42 CCOC(=O)CCC1CCCCC1 HMDB0031406 [0,0,0,1,0,0|0,0,0]=1 32 B13R1.190 CCCCCCC1CC(=O)CC1=O HMDB0037388 [0,0,0,1,0,0|2,0,1]=4 33 B13R1.190 CCCCCCC1OC(=O)CC1C HMDB0037309 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,0,0,1,0,0|1,0,0]=2 35 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [2,0,0,0,0,0|1,0,1]=4 36 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [2,0,0,0,0,0|1,0,1]=4 37 B10R0.71 CCCCCCCCCCC HMDB0031445 [2,0,0,0,0,0|0,0,1]=3 38 B10R0.71 CCCCCCCCCCO HMDB0011624 [2,0,0,0,0,0|1,0,1]=4 39 B10R0.71 CCCCCCCCOC=O HMDB0038603 [2,0,0,0,0,0|1,0,1]=4 40 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [2,0,0,0,0,0|2,0,0]=4 41 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [2,0,0,0,0,0|0,0,0]=2 42 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [2,0,0,0,0,0|2,0,0]=4 43 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [2,0,0,0,0,0|0,0,2]=4 44 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [2,0,0,0,0,0|0,0,2]=4 45 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [2,0,0,0,0,0|0,0,2]=4 46 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [2,0,0,0,0,0|0,0,2]=4 47 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [2,0,0,0,0,0|0,0,2]=4 48 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [2,0,0,0,0,0|0,0,0]=2 49 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [2,0,0,0,0,0|0,0,0]=2 50 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [2,0,0,0,0,0|1,0,1]=4 52 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [2,0,0,0,0,0|0,0,2]=4 53 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [2,0,0,0,0,0|0,0,2]=4 55 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [2,0,0,0,0,0|0,0,2]=4 56 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [2,0,0,0,0,0|0,0,0]=2 57 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [2,0,0,0,0,0|0,0,0]=2 59 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [2,0,0,0,0,0|1,0,0]=3 60 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [1,1,0,0,0,0|1,0,1]=4 61 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [1,1,0,0,0,0|1,0,1]=4 62 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [1,1,0,0,0,0|0,0,2]=4 63 B12R0.248 CCCCCCCCCC(C)CC HMDB0037828 [1,1,0,0,0,0|1,0,1]=4 64 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [1,1,0,0,0,0|2,0,0]=4 65 B12R0.4 CCCCCCOC(=O)CC(C)C HMDB0032044 [1,1,0,0,0,0|2,0,0]=4 66 B12R0.4 CCCCCCOC(=O)CC(C)S HMDB0032327 [1,1,0,0,0,0|2,0,0]=4 67 B12R0.49 CCCCCCOC(=O)C(C)CC HMDB0039215 [1,1,0,0,0,0|2,0,0]=4 68 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [1,1,0,0,0,0|0,0,0]=2 69 B12R0.239 CCCCOC(=O)CC(=O)OCC HMDB0036233 [1,1,0,0,0,0|1,0,1]=4 70 B12R0.239 CCOC(=O)CC(O)C/C=C\CC HMDB0030367 [1,1,0,0,0,0|0,0,2]=4 71 B12R0.285 CCCC(S)CCOC(=O)CCC HMDB0038948 [1,1,0,0,0,0|2,0,0]=4 72 B12R0.285 CCC[C@H](S)CCOC(=O)CCC HMDB0037765 [1,1,0,0,0,0|2,0,0]=4 73 B12R0.57 CCCCCCCCC(OC)OC HMDB0034151 [1,1,0,0,0,0|0,0,2]=4 74 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [1,1,0,0,0,0|0,0,1]=3 75 B12R0.251 CCCCCCCOC(=O)C(C)C HMDB0040171 [1,1,0,0,0,0|1,0,0]=3 76 B14R0.181 CCCCCCCCOC(=O)C(C)CC HMDB0036219 [0,2,0,0,0,0|1,0,0]=3 77 B14R0.391 CCCCCCCCOC(=O)CC(C)C HMDB0034140 [0,2,0,0,0,0|1,0,0]=3 78 B14R0.393 CCCCCCCCCCC(=O)OCC HMDB0029552 [0,2,0,0,0,0|0,0,0]=2 79 B14R0.393 CCOC(=O)CCCCCCCCC=C HMDB0034286 [0,2,0,0,0,0|0,0,0]=2 80 B12R1.28 CCCCCC1CCCC(=O)O1 HMDB0037116 [1,0,0,1,0,0|2,0,0]=4 81 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [1,0,0,1,0,0|2,0,0]=4 82 B12R1.1 CCCCCC1COC(=O)CO1 HMDB0037146 [1,0,0,1,0,0|1,0,0]=3 83 B12R1.7 CCCCCCC1CCC(=O)O1 HMDB0037217 [1,0,0,1,0,0|1,0,0]=3 84 B14R1.26 CCCCCCCC1CC=CC(=O)O1 HMDB0031030 [0,1,0,1,0,0|1,0,1]=4 85 B14R1.26 CCCCCCCC1CCCC(=O)O1 HMDB0037742 [0,1,0,1,0,0|1,0,0]=3 86 B14R1.216 CCCCC/C=C/CC1CCCC1=O HMDB0038897 [0,1,0,1,0,0|1,0,1]=4 87 B14R1.3126 CCCCCCCC1CC(C)OC1=O HMDB0037813 [0,1,0,1,0,0|0,0,0]=2 88 B14R1.4408 O=C1CCCCCCC/C=C/CCO1 HMDB0032901 [0,1,0,1,0,0|0,0,1]=3 89 B14R1.122 CCCCCCCCC1OCC(C)O1 HMDB0032440 [0,1,0,1,0,0|0,0,2]=4 90 B14R1.156 C=CCOC(=O)CCC1CCCCC1 HMDB0040206 [0,1,0,1,0,0|0,0,1]=3 91 B14R1.1252 CCCCCCC1CCCCC(=O)O1 HMDB0038895 [0,1,0,1,0,0|2,0,0]=4 92 B14R1.247 CC1CCCCCCCCCCC1=O HMDB0041404 [0,1,0,1,0,0|1,0,0]=3