0 B25R3.1229852970 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O MCULE-5216896555 [0,0,0,0,0,0|0,0,0]=0 1 B25R3.1229852970 COC1=CC(=CC=C1O)C2OC3=CC(=CC(=C3C(=O)C2=O)O)O MCULE-7710569339 [0,0,0,0,0,0|0,0,2]=2 2 B24R3.69665233 COC1=CC(=CC=C1O)C2=C(C(=O)C3=CC=C(C=C3O2)O)O MCULE-9454526527 [1,0,0,0,0,0|0,0,0]=1 3 B24R3.311572219 O=C1C(=C(OC2=C1C(=CC(=C2)O)O)C3=CC(=C(C=C3)O)O)O MCULE-2433372790 [1,0,0,0,0,0|0,0,0]=1 4 B24R3.311572219 O=C1C2=C(C=C(C=C2O)O)OC(C1O)C3=CC(=C(C=C3)O)O MCULE-4254870575 [1,0,0,0,0,0|0,0,2]=3 5 B24R3.311572219 O=C1C2=C(C=C(C=C2O)O)O[C@@H]([C@H]1O)C3=CC(=C(C=C3)O)O MCULE-2394173874 [1,0,0,0,0,0|0,0,2]=3 6 B24R3.311572219 O=C1C2=C(C=C(C=C2O)O)O[C@@H]([C@H]1O)C3=CC(=C(C=C3)O)O MCULE-2692728789 [1,0,0,0,0,0|0,0,2]=3 7 B24R3.311572219 O=C1C2=C(C=C(C=C2O)O)O[C@H]([C@@H]1O)C3=CC(=C(C=C3)O)O MCULE-4871721304 [1,0,0,0,0,0|0,0,2]=3 8 B24R3.311572219 O=C1C2=C(C=C(C=C2OC([C@H]1O)C3=CC(=C(C=C3)O)O)O)O MCULE-2009062312 [1,0,0,0,0,0|0,0,2]=3 9 B24R3.311572219 O=C1C2=C(C=C(C=C2OC([C@H]1O)C3=CC(=C(C=C3)O)O)O)O MCULE-9493140071 [1,0,0,0,0,0|0,0,2]=3 10 B24R3.1289013967 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)C)C)O MCULE-4457738922 [1,0,0,0,0,0|2,0,0]=3 11 B24R3.1289013967 COC1=CC(=CC=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-7873890076 [1,0,0,0,0,0|0,0,0]=1 12 B24R3.1289013967 COC1=CC(=CC=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-3324355674 [1,0,0,0,0,0|0,0,2]=3 13 B24R3.1289013967 COC1=CC(=CC=C1O)C2CC(=O)C3=C(O2)C=C(C=C3O)[O-] MCULE-7813766440 [1,0,0,0,0,0|0,0,3]=4 14 B24R3.1289013967 COC1=CC(=CC=C1O)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-2197237863 [1,0,0,0,0,0|0,0,2]=3 15 B24R3.1289013967 COC1=CC(=CC=C1O)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-9587381415 [1,0,0,0,0,0|0,0,2]=3 16 B24R3.1289225108 COC1=CC(=CC=C1O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)[O-] MCULE-7141482563 [1,0,0,0,0,0|0,0,2]=3 17 B24R3.1289225108 COC1=CC(=CC=C1O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O MCULE-2858931665 [1,0,0,0,0,0|0,0,1]=2 18 B26R3.260363328 COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C=C3O)O)O MCULE-7658816430 [0,1,0,0,0,0|0,0,0]=1 19 B26R3.1021130670 COC1=CC(=C2C(=O)C(=C(OC2=C1)C3=CC=C(C(=C3)OC)O)O)O MCULE-9957311704 [0,1,0,0,0,0|0,0,0]=1 20 B26R3.1273258667 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3C)C)O)OC MCULE-7132589160 [0,1,0,0,0,0|2,0,0]=3 21 B26R3.1273258667 COC1=CC=C(C=C1OC)C2=C(C(=O)C3=C(O2)C=C(C=C3O)O)O MCULE-5654180771 [0,1,0,0,0,0|0,0,0]=1 22 B26R3.1310377689 COC1=CC(=CC=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC MCULE-9564549513 [0,1,0,0,0,0|0,0,0]=1 23 B23R3.4391794 COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=C(C=C3O2)C)O MCULE-3280737508 [2,0,0,0,0,0|1,0,0]=3 24 B23R3.17086460 O=C1C(=C(CC2=C1C=CC(=C2)O)C3=CC=C(C(=C3)O)O)O MCULE-7754064618 [2,0,0,0,0,0|1,0,0]=3 25 B23R3.17086460 O=C1C(=O)C(OC2=CC(=CC=C12)O)C3=CC=C(C(=C3)O)O MCULE-5241043719 [2,0,0,0,0,0|0,0,2]=4 26 B23R3.17086460 O=C1C2=C(C=C(C=C2)O)O[C@@H]([C@H]1O)C3=CC(=C(C=C3)O)O MCULE-3231582881 [2,0,0,0,0,0|0,0,2]=4 27 B23R3.17086460 O=C1C2=CC=C(C=C2OC(=C1O)C3=CC=C(C(=C3)O)O)O MCULE-8216354240 [2,0,0,0,0,0|0,0,0]=2 28 B23R3.17086460 O=C1C2=CC=C(C=C2O[C@@H]([C@H]1O)C3=CC(=C(C=C3)O)O)O MCULE-5665116242 [2,0,0,0,0,0|0,0,2]=4 29 B23R3.17086460 O=C1C2=CC=C(C=C2O[C@H]([C@@H]1O)C3=CC(=C(C=C3)O)O)O MCULE-8158891866 [2,0,0,0,0,0|0,0,2]=4 30 B23R3.71745916 O=C1C(=C(OC2=CC(=CC(=C12)O)O)C3=CC=C(C=C3)O)O MCULE-8965218413 [2,0,0,0,0,0|0,0,0]=2 31 B23R3.71745916 O=C1C2=C(C=C(C=C2O)O)O[C@@H]([C@H]1O)C3=CC=C(C=C3)O MCULE-9933147848 [2,0,0,0,0,0|0,0,2]=4 32 B23R3.71745916 O=C1C2=C(C=C(C=C2OC(C1O)C3=CC=C(C=C3)O)O)O MCULE-9181636440 [2,0,0,0,0,0|0,0,2]=4 33 B23R3.71745916 O=C1C2=C(C=C(C=C2O[C@@H]([C@H]1O)C3=CC=C(C=C3)O)O)O MCULE-6429597192 [2,0,0,0,0,0|0,0,2]=4 34 B23R3.71745916 O=C1C2=C(C=C(C=C2O[C@H]([C@@H]1O)C3=CC=C(C=C3)O)O)O MCULE-3029164834 [2,0,0,0,0,0|0,0,2]=4 35 B23R3.184673847 OC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC=C(C(=C3)O)O)O)O MCULE-4592512817 [2,0,0,0,0,0|0,0,1]=3 36 B23R3.184673847 OC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC=C(C(=C3)O)O)O)O MCULE-5657095926 [2,0,0,0,0,0|0,0,1]=3 37 B23R3.184688319 O=C1C=C(OC2=CC(=CC(=C12)O)O)C3=CC=C(C(=C3)O)O MCULE-6874646775 [2,0,0,0,0,0|0,0,0]=2 38 B23R3.184688319 O=C1CC(OC2=CC(=CC(=C12)O)O)C3=CC(=C(C=C3)O)O MCULE-8678602121 [2,0,0,0,0,0|0,0,2]=4 39 B23R3.184688319 O=C1C[C@H](OC2=C1C(=CC(=C2)O)O)C3=CC=C(C(=C3)O)O MCULE-3225229511 [2,0,0,0,0,0|0,0,2]=4 40 B23R3.184688319 O=C1C[C@H](OC2=CC(=CC(=C12)O)O)C3=CC=C(C(=C3)O)O MCULE-1688833251 [2,0,0,0,0,0|0,0,2]=4 41 B25R3.68992174 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)OC MCULE-5583152427 [1,1,0,0,0,0|0,0,0]=2 42 B25R3.68992174 COC1=CC=C(C=C1OC)C2=C(C(=O)C3=CC=C(C=C3O2)C)O MCULE-5685839907 [1,1,0,0,0,0|1,0,0]=3 43 B25R3.1229888450 COC1=CC(=CC=C1O)C2=C(C(=O)C3=C(O2)C=C(C(=C3)C)C)O MCULE-5457069715 [1,1,0,0,0,0|1,0,0]=3 44 B25R3.11816672 COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O MCULE-9916808788 [1,1,0,0,0,0|0,0,0]=2 45 B25R3.42836562 CC1=C(C=C2O[C@@H]([C@H](C(=O)C2=C1O)O)C3=CC(=C(C=C3)O)O)O MCULE-1338747805 [1,1,0,0,0,0|0,0,2]=4 46 B25R3.42836562 CC1=C(C=C2O[C@@H]([C@H](C(=O)C2=C1O)O)C3=CC=C(C(=C3)O)O)O MCULE-1267721842 [1,1,0,0,0,0|0,0,2]=4 47 B25R3.42836562 CC1=C(C=C2O[C@H]([C@@H](C(=O)C2=C1O)O)C3=CC(=C(C=C3)O)O)O MCULE-6991857034 [1,1,0,0,0,0|0,0,2]=4 48 B25R3.42836562 CC1=C(C=C2O[C@H]([C@@H](C(=O)C2=C1O)O)C3=CC=C(C(=C3)O)O)O MCULE-3438397608 [1,1,0,0,0,0|0,0,2]=4 49 B25R3.42836562 O=C1C(=C(OC2=CC(=C(C(=C12)O)O)O)C3=CC=C(C(=C3)O)O)O MCULE-4832967218 [1,1,0,0,0,0|0,0,0]=2 50 B25R3.157573357 O=C1C(=C(OC2=CC(=CC(=C12)O)O)C3=CC(=C(C(=C3)O)O)O)O MCULE-6299186219 [1,1,0,0,0,0|0,0,0]=2 51 B25R3.157573357 O=C1C2=C(C=C(C=C2OC(C1O)C3=CC(=C(C(=C3)O)O)O)O)O MCULE-2809167723 [1,1,0,0,0,0|0,0,2]=4 52 B25R3.157573357 O=C1C2=C(C=C(C=C2O[C@@H]([C@H]1O)C3=CC(=C(C(=C3)O)O)O)O)O MCULE-2296975795 [1,1,0,0,0,0|0,0,2]=4 53 B25R3.157573357 O=C1C2=C(C=C(C=C2O[C@@H]([C@H]1O)C3=CC(=C(C(=C3)O)O)O)O)O MCULE-2327386216 [1,1,0,0,0,0|0,0,2]=4 54 B25R3.296046236 CC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C(=C3)O)O)O)O MCULE-8439550631 [1,1,0,0,0,0|0,0,0]=2 55 B25R3.296046236 O=C1C(=C(OC2=C1C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O)O MCULE-3233813708 [1,1,0,0,0,0|0,0,0]=2 56 B25R3.351843520 COC1=C2C(=O)C(=C(OC2=CC(=C1)O)C3C=C(C(=CC3)O)O)O MCULE-5943439217 [1,1,0,0,0,0|0,0,2]=4 57 B25R3.351843520 COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O MCULE-3376118483 [1,1,0,0,0,0|0,0,0]=2 58 B25R3.696862022 O=C1C(=C(OC2=CC(=CC(=C12)O)O)C3=C(C(=C(C=C3)O)O)O)O MCULE-4129414663 [1,1,0,0,0,0|0,0,0]=2 59 B25R3.970028913 COC1=CC(=C2C(=O)C(=C(OC2=C1)C3=CC(=C(C=C3)O)O)O)O MCULE-7652058052 [1,1,0,0,0,0|0,0,0]=2 60 B25R3.970028913 COC1=CC(=C2C(=O)[C@@H]([C@H](OC2=C1)C3=CC(=C(C=C3)O)O)O)O MCULE-1480766301 [1,1,0,0,0,0|0,0,2]=4 61 B25R3.970028913 COC1=CC(=C2C(=O)[C@@H]([C@H](OC2=C1)C3=CC=C(C(=C3)O)O)O)O MCULE-7427583551 [1,1,0,0,0,0|0,0,2]=4 62 B25R3.1196228775 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3O)O)O)O MCULE-8124433804 [1,1,0,0,0,0|0,0,0]=2 63 B25R3.1196228775 COC1=C(C=C(C=C1)[C@H]2OC3=CC(=CC(=C3C(=O)[C@@H]2O)O)O)O MCULE-1856015315 [1,1,0,0,0,0|0,0,2]=4 64 B25R3.1196228775 COC1=CC=C(C=C1O)[C@H]2OC3=CC(=CC(=C3C(=O)[C@@H]2O)O)O MCULE-2569021361 [1,1,0,0,0,0|0,0,2]=4 65 B25R3.351802195 COC1=CC(=CC=C1O)C2=CC(=O)C3=C(O2)C=C(C=C3OC)O MCULE-8333833438 [1,1,0,0,0,0|0,0,0]=2 66 B25R3.970044825 COC1=CC(=C2C(=O)C=C(OC2=C1)C3=CC(=C(C=C3)O)OC)O MCULE-7174895130 [1,1,0,0,0,0|0,0,0]=2 67 B25R3.970044825 COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C(=C3)OC)O)O MCULE-3208348774 [1,1,0,0,0,0|0,0,2]=4 68 B25R3.1196100423 COC1=CC=C(C=C1OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-2885769977 [1,1,0,0,0,0|0,0,0]=2 69 B25R3.1229894726 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3C)Cl)C)O MCULE-2215239371 [1,1,0,0,0,0|2,0,0]=4 70 B25R3.221931218 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O MCULE-3789059338 [1,1,0,0,0,0|0,0,1]=3 71 B25R3.221931218 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O MCULE-4045342118 [1,1,0,0,0,0|0,0,1]=3 72 B27R3.748525795 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3O)O)O MCULE-2520919085 [0,2,0,0,0,0|0,0,0]=2 73 B27R3.1822075868 COC1=CC(=C2C(=O)C(=C(OC2=C1)C3=CC(=C(C=C3)O)OC)OC)O MCULE-1328222272 [0,2,0,0,0,0|0,0,0]=2 74 B27R3.2087938852 COC1=CC(=C2C(=O)C(=C(OC2=C1)C3=CC=C(C(=C3)OC)OC)O)O MCULE-9041356254 [0,2,0,0,0,0|0,0,0]=2 75 B27R3.2138962852 COC1=CC(=CC=C1O)C2=C(C(=O)C3=C(C=C(C(=C3O2)OC)O)O)O MCULE-8971452449 [0,2,0,0,0,0|0,0,0]=2 76 B25R4.397024441 CC1=CC=C2C(=O)C(=C(OC2=C1)C3=CC=C4OCOC4=C3)O MCULE-2579257800 [1,0,0,1,0,0|1,0,0]=3 77 B25R4.397024441 O=C1C2=CC=C(C=C2OC(=C1O)C3=CC4=C(C=C3)OCO4)Cl MCULE-1176819545 [1,0,0,1,0,0|1,0,0]=3 78 B25R3.1229854445 COC1=C(C=CC(=C1)C2=C(C(=O)C3=CC(=CC(=C3O2)Br)Br)O)O MCULE-2120390022 [0,0,0,0,1,1|2,0,0]=4