0 B23R3.242641 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)C)O MCULE-9294409097 [0,0,0,0,0,0|1,0,0]=1 1 B23R3.242641 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O MCULE-6764919720 [0,0,0,0,0,0|0,0,0]=0 2 B23R3.242641 COC1=CC=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O MCULE-1565382222 [0,0,0,0,0,0|0,0,2]=2 3 B22R3.302562 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)C MCULE-1600178542 [1,0,0,0,0,0|1,0,0]=2 4 B22R3.302562 COC1=CC=C(C=C1)C2=COC3=CC(=CC=C3C2=O)O MCULE-4171151967 [1,0,0,0,0,0|0,0,0]=1 5 B22R3.302562 COC1=CC=C(C=C1)C2COC3=CC(=CC=C3C2=O)O MCULE-1803474244 [1,0,0,0,0,0|0,0,2]=3 6 B22R3.5327493 O=C1C(=COC2=C1C(=CC(=C2)O)O)C3=CC=C(C=C3)Br MCULE-4273841548 [1,0,0,0,0,0|1,0,0]=2 7 B22R3.5327493 O=C1C(=COC2=C1C(=CC(=C2)O)O)C3=CC=C(C=C3)Cl MCULE-3738814984 [1,0,0,0,0,0|1,0,0]=2 8 B22R3.5327493 O=C1C(=COC2=C1C(=CC(=C2)O)O)C3=CC=C(C=C3)F MCULE-9899209786 [1,0,0,0,0,0|1,0,0]=2 9 B22R3.5327493 O=C1C(=COC2=C1C(=CC(=C2)O)O)C3=CC=C(C=C3)O MCULE-4857649752 [1,0,0,0,0,0|0,0,0]=1 10 B22R3.5327493 O=C1C2=C(C=C(C=C2OCC1C3=CC=C(C=C3)O)O)O MCULE-4045334659 [1,0,0,0,0,0|0,0,2]=3 11 B24R3.2565808 COC1=CC=C(C=C1)C2=C(OC3=CC(=CC(=C3C2=O)O)O)C MCULE-4008017769 [0,1,0,0,0,0|0,0,0]=1 12 B24R3.2574564 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)O MCULE-3534687753 [0,1,0,0,0,0|0,0,0]=1 13 B24R3.61782701 COC1=CC=C(C=C1O)C2=COC3=C(C2=O)C(=CC(=C3)O)O MCULE-3233025251 [0,1,0,0,0,0|0,0,0]=1 14 B24R3.396975229 COC1=CC(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O MCULE-2760900007 [0,1,0,0,0,0|0,0,0]=1 15 B24R3.13356586 CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C(=CC(=C3)O)O MCULE-1279350607 [0,0,0,0,0,1|1,0,0]=2 16 B24R3.13356586 COC1=CC=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O MCULE-6745304759 [0,0,0,0,0,1|0,0,2]=3 17 B24R3.13356586 COC1=CC=C(C=C1)C[C@@H]2COC3=CC(=CC(=C3C2=O)O)O MCULE-8312237906 [0,0,0,0,0,1|0,0,2]=3 18 B24R3.13356586 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C(=CC(=C3)O)O MCULE-9377995360 [0,0,0,0,0,1|0,0,0]=1 19 B21R2.35494 COC1=CC=C(C=C1)C(C)C(=O)C2=CC=C(C=C2O)O MCULE-7792786764 [1,0,1,0,0,0|0,0,2]=4 20 B21R2.35494 COC1=CC=C(C=C1)[C@@H](C)C(=O)C2=CC=C(C=C2O)O MCULE-1582233288 [1,0,1,0,0,0|0,0,2]=4 21 B21R2.125542 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)C MCULE-8164792344 [1,0,1,0,0,0|0,0,2]=4 22 B21R2.125542 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O MCULE-7357162535 [1,0,1,0,0,0|0,0,1]=3 23 B21R3.292 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC=C3 MCULE-7443551761 [2,0,0,0,0,0|0,0,0]=2 24 B21R3.292 COC1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O MCULE-5766336086 [2,0,0,0,0,0|2,0,0]=4 25 B21R3.292 O=C1C(=COC2=C1C=CC=C2)C3=CC=C(C=C3)CO MCULE-8288824576 [2,0,0,0,0,0|2,0,0]=4 26 B21R3.3759272 CC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)Cl MCULE-4894450365 [2,0,0,0,0,0|1,0,0]=3 27 B21R3.3759272 NC1=CC=C(C=C1)C2=COC3=CC(=CC=C3C2=O)O MCULE-3591453385 [2,0,0,0,0,0|1,0,0]=3 28 B21R3.3759272 O=C1C(=COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)F MCULE-7003586571 [2,0,0,0,0,0|1,0,0]=3 29 B21R3.3759272 O=C1C(=COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O MCULE-8239511422 [2,0,0,0,0,0|0,0,0]=2 30 B21R3.3759272 O=C1C(=COC2=CC(=CC=C12)O)C3=CC=C(C=C3)Br MCULE-2664679319 [2,0,0,0,0,0|1,0,0]=3 31 B21R3.3759272 O=C1C(=COC2=CC(=CC=C12)O)C3=CC=C(C=C3)Cl MCULE-6142563463 [2,0,0,0,0,0|1,0,0]=3 32 B21R3.3759272 O=C1C2=CC=C(C=C2OCC1C3=CC=C(C=C3)O)O MCULE-5855528622 [2,0,0,0,0,0|0,0,2]=4 33 B21R3.3759272 O=C1C2=CC=C(C=C2OC[C@@H]1C3=CC=C(C=C3)O)O MCULE-1112895889 [2,0,0,0,0,0|0,0,2]=4 34 B21R3.3759272 O=C1C2=CC=C(C=C2OC[C@@H]1C3=CC=C(C=C3)O)O MCULE-3900223280 [2,0,0,0,0,0|0,0,2]=4 35 B21R3.29513194 CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)O MCULE-5533239572 [2,0,0,0,0,0|1,0,0]=3 36 B21R3.29513194 O=C1C(=COC2=C1C(=CC(=C2)O)O)C3=CC=CC=N3 MCULE-6207296257 [2,0,0,0,0,0|1,0,0]=3 37 B21R3.29513194 O=C1C(=COC2=CC(=CC(=C12)O)O)C3=CC=CC=C3 MCULE-5460402516 [2,0,0,0,0,0|0,0,0]=2 38 B23R2.5649975 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2OC)OC)O MCULE-9255585180 [0,1,1,0,0,0|0,0,2]=4 39 B23R3.224376 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=C(C(=C3)O)O MCULE-1027180042 [1,1,0,0,0,0|0,0,0]=2 40 B23R3.237896 COC1=CC=C(C=C1)C2=C(C3=CC=C(C=C3OC2=O)O)C MCULE-3902587260 [1,1,0,0,0,0|1,0,0]=3 41 B23R3.237896 COC1=CC=C(C=C1)C2=C(C3=CC=C(C=C3OC2=O)O)O MCULE-7544361117 [1,1,0,0,0,0|0,0,1]=3 42 B23R3.237896 COC1=CC=C(C=C1)C2=C(OC3=CC(=CC=C3C2=O)O)C MCULE-3127376052 [1,1,0,0,0,0|0,0,0]=2 43 B23R3.242546 COC1=CC=C(C=C1)C2=COC3=CC(=CC=C3C2=O)OC MCULE-1945750988 [1,1,0,0,0,0|0,0,0]=2 44 B23R3.242546 COC1=CC=C(C=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)OC MCULE-3292535358 [1,1,0,0,0,0|0,0,2]=4 45 B23R3.245247 COC1=CC=C(C=C1)C2=COC3=C(C(=CC=C3C2=O)O)C MCULE-1755438579 [1,1,0,0,0,0|0,0,0]=2 46 B23R3.17104249 O=C1C(=COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)N(=O)=O MCULE-7349396077 [1,1,0,0,0,0|2,0,0]=4 47 B23R3.39740563 COC1=CC=C(C=C1O)C2=COC3=CC(=CC=C3C2=O)O MCULE-7559555984 [1,1,0,0,0,0|0,0,0]=2 48 B23R3.233723995 COC1=CC(=C(C=C1)C2=COC3=CC(=CC=C3C2=O)O)O MCULE-4988648068 [1,1,0,0,0,0|0,0,0]=2 49 B23R3.119174 CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O MCULE-5728196105 [1,1,0,0,0,0|0,0,0]=2 50 B23R3.119174 O=C1C(=COC2=CC(=C(C(=C12)O)O)O)C3=CC=C(C=C3)O MCULE-4243524600 [1,1,0,0,0,0|0,0,0]=2 51 B23R3.7714631 CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)Cl MCULE-9988109184 [1,1,0,0,0,0|1,0,0]=3 52 B23R3.7718178 O=C1C(=COC2=C(C(=CC(=C12)O)O)Cl)C3=CC=C(C=C3)O MCULE-7523719891 [1,1,0,0,0,0|0,0,0]=2 53 B23R3.7718178 O=C1C(=COC2=C1C(=CC(=C2O)O)O)C3=CC=C(C=C3)O MCULE-3224394074 [1,1,0,0,0,0|0,0,0]=2 54 B23R3.24536673 O=C1C(=COC2=CC(=CC(=C12)O)O)C3=CC=C(C(=C3)O)O MCULE-6891042715 [1,1,0,0,0,0|0,0,0]=2 55 B23R3.29719259 COC1=C2C(=O)C(=COC2=CC(=C1)O)C3=CC=C(C=C3)O MCULE-4609929478 [1,1,0,0,0,0|0,0,0]=2 56 B23R3.142662276 O=C1C(=COC2=CC(=CC(=C12)O)O)C3=CC=C(C=C3O)O MCULE-9057660515 [1,1,0,0,0,0|0,0,0]=2 57 B23R3.142662276 O=C1C2=C(C=C(C=C2OCC1C3=CC=C(C=C3O)O)O)O MCULE-1405836247 [1,1,0,0,0,0|0,0,2]=4 58 B23R3.199772359 COC1=CC(=C2C(=O)C(=COC2=C1)C3=CC=C(C=C3)O)O MCULE-2663052506 [1,1,0,0,0,0|0,0,0]=2 59 B25R3.16349789 COC1=CC=C(C=C1)C[C@@]2(COC3=CC(=CC(=C3C2=O)O)O)O MCULE-5212351733 [0,1,0,0,0,1|0,0,2]=4 60 B25R3.62615728 CCOC1=CC=C(C=C1)OC2=COC3=C(C2=O)C(=CC(=C3)O)O MCULE-2061237662 [0,1,0,0,0,1|0,0,0]=2 61 B25R3.69028069 COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O MCULE-2851603971 [0,1,0,0,0,1|0,0,2]=4 62 B25R3.2790490 COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O MCULE-2000781948 [0,2,0,0,0,0|0,0,0]=2 63 B25R3.16549907 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC MCULE-5293577262 [0,2,0,0,0,0|0,0,0]=2 64 B25R3.69007046 COC1=CC=C(C=C1OC)C2=COC3=CC(=CC(=C3C2=O)O)O MCULE-2300247929 [0,2,0,0,0,0|0,0,0]=2 65 B25R3.367476831 COC1=CC(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)OC MCULE-9035898335 [0,2,0,0,0,0|0,0,0]=2 66 B25R3.367476831 COC1=CC=C(C(=C1)OC)C2COC3=CC(=CC(=C3C2=O)O)O MCULE-2575175530 [0,2,0,0,0,0|0,0,2]=4 67 B23R3.21392 COC1=CC=C(C=C1)C2=C(ON=C2)C3=C(C=C(C=C3)O)O MCULE-5856131065 [0,0,1,1,0,0|1,0,1]=4 68 B23R3.21392 COC1=CC=C(C=C1)C2=CNN=C2C3=C(C=C(C=C3)O)O MCULE-7714196171 [0,0,1,1,0,0|2,0,0]=4 69 B23R3.240097 COC1=CC=C(C=C1)C=C2OC3=CC(=CC(=C3C2=O)C)O MCULE-5241153117 [0,0,1,1,0,0|1,0,0]=3 70 B23R3.240097 COC1=CC=C(C=C1)C=C2OC3=CC(=CC(=C3C2=O)O)C MCULE-5109907993 [0,0,1,1,0,0|1,0,0]=3 71 B21R3.3751531 CC1=NC(=CS1)C2=COC3=C(C2=O)C(=CC(=C3)O)O MCULE-6688655903 [1,0,0,0,1,0|2,0,0]=4 72 B23R2.231208 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)O)O MCULE-3667082421 [0,0,1,0,0,1|0,0,1]=3 73 B23R2.231208 COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)O)O MCULE-7606615381 [0,0,1,0,0,1|0,0,1]=3 74 B23R2.231208 COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O MCULE-7444200736 [0,0,1,0,0,1|0,0,2]=4 75 B23R3.9101252 CCC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)O MCULE-3147553906 [1,0,0,0,0,1|1,0,0]=3 76 B23R3.9101252 COC1=CC=C(C=C1)/C=C\2/COC3=CC(=CC=C3C2=O)O MCULE-4089152858 [1,0,0,0,0,1|0,0,1]=3 77 B23R3.9101252 COC1=CC=C(C=C1)C=C2COC3=C(C2=O)C=CC(=C3)O MCULE-1750431988 [1,0,0,0,0,1|0,0,1]=3 78 B23R3.9101252 COC1=CC=C(C=C1)CC2COC3=C(C2=O)C=CC(=C3)O MCULE-1736405258 [1,0,0,0,0,1|0,0,2]=4 79 B23R3.9101252 COC1=CC=C(C=C1)OC2=COC3=CC(=CC=C3C2=O)O MCULE-5645646716 [1,0,0,0,0,1|0,0,0]=2 80 B23R3.24624083 O=C1C(=CC2=CC=C(C=C2)O)COC3=CC(=CC(=C13)O)O MCULE-7322383014 [1,0,0,0,0,1|0,0,1]=3 81 B23R3.24624083 O=C1C(=COC2=C1C(=CC(=C2)O)O)OC3=CC=C(C=C3)Br MCULE-7355397553 [1,0,0,0,0,1|1,0,0]=3 82 B23R3.24624083 O=C1C(=COC2=C1C(=CC(=C2)O)O)OC3=CC=C(C=C3)Cl MCULE-7487365902 [1,0,0,0,0,1|1,0,0]=3 83 B23R3.24624083 O=C1C(=COC2=C1C(=CC(=C2)O)O)OC3=CC=C(C=C3)F MCULE-1728062756 [1,0,0,0,0,1|1,0,0]=3 84 B23R3.24624083 O=C1C(=COC2=C1C(=CC(=C2)O)O)OC3=CC=C(C=C3)I MCULE-2431789502 [1,0,0,0,0,1|1,0,0]=3 85 B23R3.24624083 O=C1C2=C(C=C(C=C2OCC1CC3=CC=C(C=C3)O)O)O MCULE-2154315081 [1,0,0,0,0,1|0,0,2]=4 86 B23R3.24624083 O=C\1C2=C(C=C(C=C2OC/C1=C\C3=CC=C(C=C3)O)O)O MCULE-7035873579 [1,0,0,0,0,1|0,0,1]=3 87 B23R3.9068341 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-8773156096 [0,0,0,0,1,1|0,0,0]=2 88 B23R3.9068341 COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3O)O MCULE-9439004515 [0,0,0,0,1,1|0,0,1]=3 89 B23R3.9068341 COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O MCULE-7578970975 [0,0,0,0,1,1|0,0,1]=3 90 B23R3.9068341 COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3O)O MCULE-6964743359 [0,0,0,0,1,1|0,0,1]=3