0 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 CCC(=O)OC1CCCCC1 HMDB0036222 [1,0,0,0,0,0|0,0,0]=1 2 B13R1.44 C=CCOC(=O)CC1CCCCC1 HMDB0040595 [0,1,0,0,0,0|1,0,2]=4 3 B13R1.44 CCCCC(=O)OC1CCCCC1 HMDB0034429 [0,1,0,0,0,0|0,0,0]=1 4 B13R1.348 CC(C)CC(=O)OC1CCCCC1 HMDB0034428 [0,1,0,0,0,0|0,0,0]=1 5 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,0,1,0,0,0|0,0,2]=3 6 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,0,1,0,0,0|0,0,2]=3 7 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,0,1,0,0,0|2,0,1]=4 8 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,0,1,0,0,0|3,0,0]=4 9 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,0,1,0,0,0|2,0,0]=3 10 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,0,1,0,0,0|0,0,2]=3 11 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,0,1,0,0,0|0,0,0]=1 12 B11R0.4 CCCCCCOC(C)OCC HMDB0037639 [0,0,1,0,0,0|2,0,1]=4 13 B13R2.328 CC1CC(=O)CC2CCCCN12 HMDB0030371 [0,0,0,1,0,0|2,0,0]=3 14 B11R1.16 CCOC(=O)C1CCCCC1 HMDB0033167 [0,0,0,0,1,0|1,0,0]=2 15 B13R1.42 CCOC(=O)CCC1CCCCC1 HMDB0031406 [0,0,0,0,0,1|2,0,0]=3 16 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [1,0,1,0,0,0|1,0,0]=3 17 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,0,1,0,0,0|1,0,0]=3 18 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [1,0,1,0,0,0|1,0,0]=3 19 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [1,0,1,0,0,0|1,0,1]=4 20 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [1,0,1,0,0,0|0,0,0]=2 21 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,0,1,0,0,0|1,0,0]=3 22 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,1,0,0,0|1,0,1]=4 23 B10R0.74 CC/C=C\CCOC(=O)CC HMDB0038275 [1,0,1,0,0,0|0,0,2]=4 24 B10R0.74 CCC/C=C/COC(=O)CC HMDB0038272 [1,0,1,0,0,0|0,0,2]=4 25 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,0,1,0,0,0|1,0,0]=3 26 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,0,1,0,0,0|2,0,0]=4 27 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [1,0,1,0,0,0|0,0,0]=2 28 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [1,0,1,0,0,0|0,0,0]=2 29 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [2,0,0,0,0,0|0,0,1]=3 30 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [2,0,0,0,0,0|2,0,0]=4 34 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,1,1,0,0,0|2,0,0]=4 35 B12R0.1 CCCCCCC#CC(=O)OCC HMDB0036215 [0,1,1,0,0,0|2,0,0]=4 36 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,1,1,0,0,0|2,0,0]=4 37 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,1,1,0,0,0|0,0,0]=2 38 B12R0.4 CC/C=C\CCOC(=O)CC(C)C HMDB0038278 [0,1,1,0,0,0|0,0,2]=4 39 B12R0.4 CCC/C=C/COC(=O)CC(C)C HMDB0038274 [0,1,1,0,0,0|0,0,2]=4 40 B12R0.4 CCCCCCOC(=O)CC(C)C HMDB0032044 [0,1,1,0,0,0|0,0,0]=2 41 B12R0.4 CCCCCCOC(=O)CC(C)S HMDB0032327 [0,1,1,0,0,0|0,0,0]=2 42 B12R0.49 CC/C=C\CCOC(=O)C(C)CC HMDB0038277 [0,1,1,0,0,0|0,0,2]=4 43 B12R0.49 CCC/C=C/COC(=O)C(C)CC HMDB0032534 [0,1,1,0,0,0|0,0,2]=4 44 B12R0.49 CCC=CCCOC(=O)C(C)CC HMDB0032320 [0,1,1,0,0,0|0,0,2]=4 45 B12R0.49 CCCCCCOC(=O)C(C)CC HMDB0039215 [0,1,1,0,0,0|0,0,0]=2 46 B12R0.206 CCCCC(=O)OC/C=C/CCC HMDB0038273 [0,1,1,0,0,0|0,0,2]=4 47 B12R0.206 CCCCC(=O)OCC/C=C\CC HMDB0031691 [0,1,1,0,0,0|0,0,2]=4 48 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [0,1,1,0,0,0|2,0,0]=4 49 B12R0.285 CCCC(S)CCOC(=O)CCC HMDB0038948 [0,1,1,0,0,0|0,0,0]=2 50 B12R0.285 CCC[C@H](S)CCOC(=O)CCC HMDB0037765 [0,1,1,0,0,0|0,0,0]=2 51 B12R1.51 CCCC(=O)OCC1CCCO1 HMDB0036188 [0,0,1,1,0,0|1,0,0]=3 52 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,0,1,1,0,0|1,0,1]=4 53 B12R1.321 CCCCC1CCCCC(=O)O1 HMDB0033203 [0,0,1,1,0,0|0,0,0]=2 54 B12R2.24 O=C1CCC2CCCCC2O1 HMDB0037276 [1,0,0,1,0,0|0,0,0]=2 55 B10R1.15 CCC(=O)C1CCCCN1 HMDB0033364 [1,0,0,0,1,0|1,0,0]=3 56 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [1,0,0,0,1,0|1,0,0]=3 57 B10R1.27 CCC(=O)CN1CCCC1 HMDB0039839 [1,0,0,0,1,0|2,0,0]=4