0 B14R1.164 C=C(C)C1CCC(CC1OC(=O)C)C MCULE-8055009685 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.164 CC(=O)OC1CC(CCC1C(C)C)C MCULE-9774394174 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.164 CC(=O)OC1C[C@@H](CCC1C(C)C)C MCULE-2672809740 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.164 CC(=O)OC1C[C@@H](CCC1C(C)C)C MCULE-4352275313 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.164 CC(=O)OC1C[C@H](CCC1C(C)C)C MCULE-6662255353 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.164 CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-2149837604 [0,0,0,0,0,0|0,0,0]=0 6 B14R1.164 CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-9819745810 [0,0,0,0,0,0|0,0,0]=0 7 B14R1.164 CC(=O)O[C@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-3784303182 [0,0,0,0,0,0|0,0,0]=0 8 B14R1.164 CC(=O)O[C@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-7366902587 [0,0,0,0,0,0|0,0,0]=0 9 B14R1.164 CC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MCULE-1430758411 [0,0,0,0,0,0|0,0,0]=0 10 B14R1.164 CC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MCULE-1808918714 [0,0,0,0,0,0|0,0,0]=0 11 B14R1.164 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)Cl)C MCULE-1924484287 [0,0,0,0,0,0|1,0,0]=1 12 B14R1.164 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)Cl)C MCULE-9856979888 [0,0,0,0,0,0|1,0,0]=1 13 B14R1.164 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(=O)Cl)C MCULE-3061183327 [0,0,0,0,0,0|1,0,0]=1 14 B14R1.164 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(=O)Cl)C MCULE-7158222601 [0,0,0,0,0,0|1,0,0]=1 15 B14R1.164 CC1CCC(C(C1)OC(=O)Cl)C(C)C MCULE-5857139835 [0,0,0,0,0,0|1,0,0]=1 16 B13R1.356 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCl)C MCULE-1797556619 [1,0,0,0,0,0|1,0,1]=3 17 B15R1.3825 C=CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-9280078557 [0,1,0,0,0,0|0,0,1]=2 18 B15R1.3825 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)CCl)C MCULE-9987724336 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.3825 CC1CCC(C(C1)OC(=O)C=O)C(C)C MCULE-7024162143 [0,1,0,0,0,0|0,0,1]=2 20 B15R1.3825 CC1CCC(C(C1)OC(=O)CCl)C(C)C MCULE-9624947521 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.3825 CC1CCC(C(C1)OC(=O)CO)C(C)C MCULE-8904342066 [0,1,0,0,0,0|0,0,0]=1 22 B15R1.3825 CCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-6401237212 [0,1,0,0,0,0|0,0,0]=1 23 B13R0.53 CC(=O)OCC(CCC(C)C)C(C)C MCULE-8592966606 [0,0,1,0,0,0|0,0,0]=1 24 B13R0.1398 C=C(C)CCCC(C)CCCC(C)C MCULE-6726471243 [0,0,1,0,0,0|2,0,0]=3 25 B13R0.1398 CC(=O)CCCC(C)CCCC(C)C MCULE-9615640256 [0,0,1,0,0,0|1,0,0]=2 26 B13R0.1398 CC(=O)OCCC(C)CCC=C(C)C MCULE-2538735041 [0,0,1,0,0,0|0,0,2]=3 27 B13R0.1398 CC(=O)OCC[C@H](C)CCC=C(C)C MCULE-9164362529 [0,0,1,0,0,0|0,0,2]=3 28 B13R0.1398 CC(C)CCCC(C)CCCC(=O)O MCULE-2954801094 [0,0,1,0,0,0|2,0,0]=3 29 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)Cl)C MCULE-6207571263 [0,0,0,0,1,0|1,0,0]=2 30 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)N)C MCULE-6851635227 [0,0,0,0,1,0|1,0,0]=2 31 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C MCULE-2497928316 [0,0,0,0,1,0|1,0,0]=2 32 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C MCULE-8234406278 [0,0,0,0,1,0|1,0,0]=2 33 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C MCULE-9651818545 [0,0,0,0,1,0|1,0,0]=2 34 B13R1.165 CC1CCC(C(C1)C(=O)O)C(C)C MCULE-8009184802 [0,0,0,0,1,0|1,0,0]=2 35 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@@H]1OCC(=O)O)C MCULE-2591582700 [0,0,0,0,0,1|1,0,0]=2 36 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@@H]1OCC(=O)O)C MCULE-5447654462 [0,0,0,0,0,1|1,0,0]=2 37 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)Cl)C MCULE-1478531796 [0,0,0,0,0,1|1,0,0]=2 38 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)Cl)C MCULE-3265406107 [0,0,0,0,0,1|1,0,0]=2 39 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)O)C MCULE-2016398661 [0,0,0,0,0,1|1,0,0]=2 40 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)O)C MCULE-7998461539 [0,0,0,0,0,1|1,0,0]=2 41 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)O)C MCULE-3552649727 [0,0,0,0,0,1|1,0,0]=2 42 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)O)C MCULE-5370964985 [0,0,0,0,0,1|1,0,0]=2 43 B15R1.8435 CC1CCC(C(C1)OCC(=O)Cl)C(C)C MCULE-7996644965 [0,0,0,0,0,1|1,0,0]=2 44 B15R1.8435 CC1CCC(C(C1)OCC(=O)O)C(C)C MCULE-1924855870 [0,0,0,0,0,1|1,0,0]=2 45 B12R0.233 C=CCCCC(C)CCCC(C)C MCULE-6957174509 [1,0,1,0,0,0|1,0,1]=4 46 B12R0.233 CC(=CCCC(C)CCOC=O)C MCULE-2860533435 [1,0,1,0,0,0|0,0,2]=4 47 B12R0.268 C=C(C)CCCCCCOC(=O)C MCULE-3590471537 [1,0,1,0,0,0|0,0,2]=4 48 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@@H]1C#N)C MCULE-3491511107 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@@H]1C#N)C MCULE-8985159611 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1C#N)C MCULE-4291458803 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.57 CC1CCC(C(C1)CN)C(C)C MCULE-4746728124 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.57 COC1CC(CCC1C(C)C)C MCULE-5701353634 [2,0,0,0,0,0|0,0,0]=2 54 B12R1.57 [C@H]1(CC[C@H](C[C@H]1OC)C)C(C)C MCULE-3213123800 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.75 CNC1CCCCC1NC(=O)C MCULE-2047298936 [2,0,0,0,0,0|2,0,0]=4 56 B14R0.304 CCC(=O)OCCC(C)CCC=C(C)C MCULE-9460712409 [0,1,1,0,0,0|0,0,2]=4 57 B14R1.707 COC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-5126171578 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.760 CC1CCC(C(C1)OCCO)C(C)C MCULE-6970847839 [1,1,0,0,0,0|0,0,1]=3 59 B14R1.815 CC(=O)OC1CCCCC1C(C)(C)C MCULE-8038557467 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.815 CC(=O)O[C@@H]1CCCC[C@@H]1C(C)(C)C MCULE-2547027808 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.815 CC(=O)O[C@H]1CCCC[C@@H]1C(C)(C)C MCULE-8436649404 [1,1,0,0,0,0|0,0,0]=2 62 B14R1.3302 CN(C)C1CCCCC1NC(=O)CCl MCULE-7963145725 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.3302 CN(C)C1CCCCC1NC(=O)CN MCULE-7653244557 [1,1,0,0,0,0|2,0,0]=4 64 B16R1.1302 CC1CCC(C(C1)OCC(O)CO)C(C)C MCULE-3254039918 [0,1,0,0,0,1|0,0,2]=4 65 B16R1.11435 C=C(C)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-2393144481 [0,1,0,0,0,1|1,0,0]=3 66 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)[C@@H](C)O)C MCULE-5878276346 [0,1,0,0,0,1|0,0,2]=4 67 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)[C@H](C)O)C MCULE-2236895280 [0,1,0,0,0,1|0,0,2]=4 68 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)[C@H](C)O)C MCULE-4988503905 [0,1,0,0,0,1|0,0,2]=4 69 B16R1.11435 CC(O)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-5636956620 [0,1,0,0,0,1|0,0,2]=4 70 B16R1.11435 CC(O)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-7320127427 [0,1,0,0,0,1|0,0,2]=4 71 B16R1.11435 CC(O)C(=O)O[C@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-6796447226 [0,1,0,0,0,1|0,0,2]=4 72 B16R1.11435 CC1CCC(C(C1)OC(=O)C(C)O)C(C)C MCULE-6267686560 [0,1,0,0,0,1|0,0,2]=4 73 B16R1.1519 CCOC(=O)OC1CC(CCC1C(C)C)C MCULE-5438265341 [0,2,0,0,0,0|0,0,0]=2 74 B16R1.1519 CCOC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-1934417823 [0,2,0,0,0,0|0,0,0]=2 75 B16R1.1519 CCOC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MCULE-3144158883 [0,2,0,0,0,0|0,0,0]=2 76 B14R1.5977 CC(=O)CCC1C(CCCC1(C)C)C MCULE-2018055484 [0,0,1,1,0,0|1,0,0]=3 77 B14R2.5774 CC1=CCC2COC(C1C2)C(C)C MCULE-8726381903 [0,0,0,1,1,0|2,0,0]=4 78 B16R2.126136 CC12CCC(C(C1)CC(=O)O2)C(C)(C)O MCULE-4217245388 [0,1,0,1,0,0|2,0,0]=4 79 B12R0.44 CC(=O)CCC(C)CCCC(C)C MCULE-1306948790 [0,0,1,0,1,0|0,0,0]=2 80 B12R0.44 CC(C)CCCC(C)CCC(=O)O MCULE-4060617838 [0,0,1,0,1,0|1,0,0]=3 81 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-1732607027 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-7684924530 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-7336169680 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-8875686576 [1,0,0,0,1,0|2,0,0]=4 85 B14R0.67 CC(=O)OCCCC(C)CCCC(C)C MCULE-2997403922 [0,0,1,0,0,1|0,0,0]=2 86 B14R1.814 CC(=O)NC1CCCCC1NC(C)C MCULE-8900695191 [1,0,0,0,0,1|1,0,0]=3 87 B14R1.814 CC(=O)OC1CCCCC1=CC(C)C MCULE-9450414421 [1,0,0,0,0,1|0,0,1]=3 88 B14R1.814 CC(=O)OC1CCCCC1CC(C)C MCULE-7272141740 [1,0,0,0,0,1|0,0,0]=2 89 B14R1.814 CC(=O)O[C@@H]1CCCC[C@H]1OC(=O)C MCULE-5460731325 [1,0,0,0,0,1|1,0,1]=4 90 B14R1.676 C=C(C)C1CCC(C(C1)OC(=O)C)C MCULE-8764003404 [0,0,0,0,1,1|0,0,2]=4