0 B13R0.1398 C=C(C)CCCC(C)CCCC(C)C MCULE-6726471243 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.1398 CC(=O)/C=C/C=C(\C)/CCC=C(C)C MCULE-1061888927 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.1398 CC(=O)C=CC=C(C)CCC=C(C)C MCULE-2586104233 [0,0,0,0,0,0|1,0,3]=4 3 B13R0.1398 CC(=O)CC/C=C(/C)\CCC=C(C)C MCULE-8103346773 [0,0,0,0,0,0|1,0,2]=3 4 B13R0.1398 CC(=O)CC/C=C(\C)/CCC=C(C)C MCULE-9307860172 [0,0,0,0,0,0|1,0,2]=3 5 B13R0.1398 CC(=O)CCC=C(C)CCC=C(C)C MCULE-2477887012 [0,0,0,0,0,0|1,0,2]=3 6 B13R0.1398 CC(=O)CCCC(C)CCCC(C)C MCULE-9615640256 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.1398 CC(=O)OC/C=C(/C)\CCC=C(C)C MCULE-1470478178 [0,0,0,0,0,0|0,0,2]=2 8 B13R0.1398 CC(=O)OC/C=C(\C)/CCC=C(C)C MCULE-6156460578 [0,0,0,0,0,0|0,0,2]=2 9 B13R0.1398 CC(=O)OCC=C(C)CCC=C(C)C MCULE-5441019625 [0,0,0,0,0,0|0,0,2]=2 10 B13R0.1398 CC(=O)OCCC(C)CCC=C(C)C MCULE-2538735041 [0,0,0,0,0,0|0,0,0]=0 11 B13R0.1398 CC(=O)OCC[C@H](C)CCC=C(C)C MCULE-9164362529 [0,0,0,0,0,0|0,0,0]=0 12 B13R0.1398 CC(C)CCCC(C)CCCC(=O)O MCULE-2954801094 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.233 CC(=CCC/C(=C/COC=O)/C)C MCULE-6334497175 [1,0,0,0,0,0|0,0,2]=3 14 B12R0.233 CC(=CCCC(=CCOC=O)C)C MCULE-3941955944 [1,0,0,0,0,0|0,0,2]=3 15 B12R0.233 CC(=CCCC(C)CCOC=O)C MCULE-2860533435 [1,0,0,0,0,0|0,0,0]=1 16 B12R0.268 C=C(Br)CCCCCCOC(=O)C MCULE-8982572219 [1,0,0,0,0,0|1,0,2]=4 17 B12R0.268 C=C(C)CCCCCCOC(=O)C MCULE-3590471537 [1,0,0,0,0,0|0,0,2]=3 18 B12R0.268 C=C(Cl)CCCCCCOC(=O)C MCULE-2432625530 [1,0,0,0,0,0|1,0,2]=4 19 B12R0.268 CC(=O)NCCCCCNC(=O)C MCULE-4106454618 [1,0,0,0,0,0|3,0,0]=4 20 B12R0.268 CC(=O)OCCCCCOC(=O)C MCULE-2363953695 [1,0,0,0,0,0|2,0,0]=3 21 B12R0.268 CC(=O)OCCOCCOC(=O)C MCULE-8376591692 [1,0,0,0,0,0|3,0,0]=4 22 B14R0.304 CC(=CCCC(C)CCCC(=NO)C)C MCULE-7876266394 [0,1,0,0,0,0|1,0,1]=3 23 B14R0.304 CC(=O)OC/C=C(\C)/CC/C=C(\C)/C=O MCULE-3440822773 [0,1,0,0,0,0|0,0,3]=4 24 B14R0.304 CC(=O)OCC=C(C)CCC=C(C)C=O MCULE-5983144155 [0,1,0,0,0,0|0,0,3]=4 25 B14R0.304 CC(=O)OCCC(C)CCC=C(C)C=O MCULE-4432547550 [0,1,0,0,0,0|0,0,1]=2 26 B14R0.304 CCC(=O)OC/C=C(\C)/CCC=C(C)C MCULE-3380985316 [0,1,0,0,0,0|0,0,2]=3 27 B14R0.304 CCC(=O)OCC=C(C)CCC=C(C)C MCULE-5918107257 [0,1,0,0,0,0|0,0,2]=3 28 B14R0.304 CCC(=O)OCCC(C)CCC=C(C)C MCULE-9460712409 [0,1,0,0,0,0|0,0,0]=1 29 B14R0.304 COC(C)OCCC(C)CCC=C(C)C MCULE-4121948099 [0,1,0,0,0,0|0,0,2]=3 30 B14R1.164 C=C(C)C1CCC(CC1OC(=O)C)C MCULE-8055009685 [0,0,0,1,0,0|0,0,2]=3 31 B14R1.164 CC(=O)OC1CC(CCC1C(C)C)C MCULE-9774394174 [0,0,0,1,0,0|0,0,2]=3 32 B14R1.164 CC(=O)OC1C[C@@H](CCC1C(C)C)C MCULE-2672809740 [0,0,0,1,0,0|0,0,2]=3 33 B14R1.164 CC(=O)OC1C[C@@H](CCC1C(C)C)C MCULE-4352275313 [0,0,0,1,0,0|0,0,2]=3 34 B14R1.164 CC(=O)OC1C[C@H](CCC1C(C)C)C MCULE-6662255353 [0,0,0,1,0,0|0,0,2]=3 35 B14R1.164 CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-2149837604 [0,0,0,1,0,0|0,0,2]=3 36 B14R1.164 CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-9819745810 [0,0,0,1,0,0|0,0,2]=3 37 B14R1.164 CC(=O)O[C@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-3784303182 [0,0,0,1,0,0|0,0,2]=3 38 B14R1.164 CC(=O)O[C@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-7366902587 [0,0,0,1,0,0|0,0,2]=3 39 B14R1.164 CC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MCULE-1430758411 [0,0,0,1,0,0|0,0,2]=3 40 B14R1.164 CC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MCULE-1808918714 [0,0,0,1,0,0|0,0,2]=3 41 B14R1.164 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)Cl)C MCULE-1924484287 [0,0,0,1,0,0|1,0,2]=4 42 B14R1.164 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)Cl)C MCULE-9856979888 [0,0,0,1,0,0|1,0,2]=4 43 B14R1.164 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(=O)Cl)C MCULE-3061183327 [0,0,0,1,0,0|1,0,2]=4 44 B14R1.164 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(=O)Cl)C MCULE-7158222601 [0,0,0,1,0,0|1,0,2]=4 45 B14R1.164 CC1CCC(C(C1)OC(=O)Cl)C(C)C MCULE-5857139835 [0,0,0,1,0,0|1,0,2]=4 46 B14R1.5970 CC(=CCCC1(CCCC(O1)C)C)C MCULE-7295433126 [0,0,0,1,0,0|1,0,2]=4 47 B14R1.5977 CC(=O)CCC1C(CCCC1(C)C)C MCULE-2018055484 [0,0,0,1,0,0|1,0,2]=4 48 B12R0.44 CC(=CCCC(=CCC(=O)O)C)C MCULE-9523336581 [0,0,0,0,1,0|1,0,2]=4 49 B12R0.44 CC(=O)CCC(C)CCCC(C)C MCULE-1306948790 [0,0,0,0,1,0|0,0,2]=3 50 B12R0.44 CC(C)CCCC(C)CCC(=O)O MCULE-4060617838 [0,0,0,0,1,0|1,0,2]=4 51 B14R0.67 CC(=CCCC(C)NCCCN(C)C)C MCULE-1663538105 [0,0,0,0,0,1|3,0,0]=4 52 B14R0.67 CC(=O)OCCCC(C)CCCC(C)C MCULE-2997403922 [0,0,0,0,0,1|0,0,2]=3 53 B11R0.147 CC(=CCCC(C)CCC#N)C MCULE-9787670748 [2,0,0,0,0,0|1,0,1]=4 54 B11R0.147 CC(C)CCCC(C)CCC=O MCULE-6897293607 [2,0,0,0,0,0|0,0,2]=4 55 B11R0.147 CCCC[C@@H](C)CCC=C(C)C MCULE-6446802470 [2,0,0,0,0,0|0,0,1]=3 56 B11R0.147 COCC=C(C)CCC=C(C)C MCULE-3963813373 [2,0,0,0,0,0|0,0,2]=4 57 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [2,0,0,0,0,0|0,0,2]=4 58 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [2,0,0,0,0,0|1,0,1]=4 59 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [2,0,0,0,0,0|0,0,2]=4 60 B15R0.2722 CC(=CCCC(C)CCOC(=O)C(C)C)C MCULE-9876206397 [0,1,0,0,0,1|1,0,1]=4 61 B15R0.110 CCCC(=O)OC/C=C(/C)\CCC=C(C)C MCULE-2116427725 [0,2,0,0,0,0|0,0,2]=4 62 B15R0.110 CCCC(=O)OC/C=C(\C)/CCC=C(C)C MCULE-8833781603 [0,2,0,0,0,0|0,0,2]=4 63 B15R0.110 CCCC(=O)OCC=C(C)CCC=C(C)C MCULE-1088410365 [0,2,0,0,0,0|0,0,2]=4 64 B15R0.110 CCCC(=O)OCCC(C)CCC=C(C)C MCULE-4883470315 [0,2,0,0,0,0|0,0,0]=2 65 B13R1.591 CC(=O)O[C@H]1CCC[C@@H]1OC(=O)C MCULE-3290911607 [1,0,0,1,0,0|2,0,0]=4 66 B15R1.5468 CC(=CCCC(C)CC1OCC(O1)C)C MCULE-7608760985 [0,0,0,1,0,1|0,0,2]=4 67 B15R1.882 CC(=CCCC(C)C1CC=C(CC1)C)C MCULE-4161608580 [0,1,0,1,0,0|2,0,0]=4 68 B15R1.882 CC(=CCC[C@H](C)[C@@H]1C=CC(=CC1)C)C MCULE-3026162437 [0,1,0,1,0,0|2,0,0]=4 69 B15R1.882 CC(=CCC[C@H](C)[C@@H]1C=CC(=CC1)C)C MCULE-5853586438 [0,1,0,1,0,0|2,0,0]=4 70 B15R1.3825 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)CCl)C MCULE-9987724336 [0,1,0,1,0,0|0,0,2]=4 71 B15R1.3825 CC1CCC(C(C1)OC(=O)CCl)C(C)C MCULE-9624947521 [0,1,0,1,0,0|0,0,2]=4 72 B15R1.3825 CC1CCC(C(C1)OC(=O)CO)C(C)C MCULE-8904342066 [0,1,0,1,0,0|0,0,2]=4 73 B15R1.3825 CCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-6401237212 [0,1,0,1,0,0|0,0,2]=4 74 B11R0.30 C=C(Br)CCCCCOC(=O)C MCULE-7095717720 [1,0,0,0,1,0|1,0,1]=4 75 B11R0.30 C=C(C)CCCCCOC(=O)C MCULE-3589037568 [1,0,0,0,1,0|0,0,1]=3 76 B11R0.30 C=C(Cl)CCCCCOC(=O)C MCULE-4988132858 [1,0,0,0,1,0|1,0,1]=4 77 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [1,0,0,0,1,0|1,0,1]=4 78 B11R0.30 CC(=O)OCCCCOC(=O)C MCULE-1931173171 [1,0,0,0,1,0|2,0,0]=4 79 B11R0.6 CC(=CCCC(C)CC(=O)O)C MCULE-3455137708 [0,0,0,0,2,0|1,0,0]=3 80 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C MCULE-1765346802 [0,0,0,0,2,0|1,0,0]=3 81 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-2400113823 [0,0,0,0,2,0|1,0,0]=3 82 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-9691367682 [0,0,0,0,2,0|1,0,0]=3 83 B11R0.6 CC(=O)OC(C)CCC=C(C)C MCULE-4786049023 [0,0,0,0,2,0|0,0,0]=2 84 B11R0.6 CC(=O)OCCC(C)OC(=O)C MCULE-5257575402 [0,0,0,0,2,0|2,0,0]=4 85 B11R0.6 [C@@H](C)(CCC=C(C)C)CC(=O)O MCULE-1438242882 [0,0,0,0,2,0|1,0,0]=3 86 B11R0.85 CC(=O)OCC(C)COC(=O)C MCULE-7071521225 [0,0,0,0,2,0|2,0,0]=4 87 B13R0.179 CC(=O)OCCCCCCOC(=O)C MCULE-7403372760 [1,0,0,0,0,1|1,0,1]=4 88 B15R0.221 CC(=O)OCCCC=C(C)CCC=C(C)C MCULE-3877123511 [0,0,0,0,0,2|0,0,1]=3