0 B29R5.60615037 NC1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(C=C5)O MCULE-5707055618 [0,0,0,0,0,0|1,0,0]=1 1 B29R5.60615037 O=C1OC2(C3=C(C=C(C=C3)Cl)OC4=C2C=CC(=C4)Cl)C5=C1C=CC=C5 MCULE-4152362455 [0,0,0,0,0,0|2,0,0]=2 2 B29R5.60615037 O=C1OC2(C3=C(C=C(C=C3)[O-])OC4=C2C=CC(=C4)[O-])C5=C1C=CC=C5 MCULE-1552521657 [0,0,0,0,0,0|0,0,2]=2 3 B29R5.60615037 O=C1OC2(C3=CC=C(C=C3OC4=C2C=CC(=C4)O)O)C5=C1C=CC=C5 MCULE-5973546476 [0,0,0,0,0,0|0,0,0]=0 4 B29R5.60615037 O=C1OC2(C3=CC=CC=C13)C4=C(C=C(C=C4)O)OC5=C2C=CC(=C5)O MCULE-6725544554 [0,0,0,0,0,0|0,0,0]=0 5 B30R5.41954159 O=C1OC2(C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C5=C1C(=CC=C5)Cl MCULE-2114995063 [0,1,0,0,0,0|0,0,0]=1 6 B30R5.41954160 O=S1(=O)OC2(C3=CC=CC=C13)C4=C(C=C(C=C4)Cl)OC5=C2C=CC(=C5)Cl MCULE-7756598378 [0,1,0,0,0,0|3,0,0]=4 7 B30R5.41954160 O=S1(=O)OC2(C3=CC=CC=C13)C4=C(C=C(C=C4)O)OC5=C2C=CC(=C5)O MCULE-7930776623 [0,1,0,0,0,0|1,0,0]=2 8 B30R5.41954182 NC1=CC2=C(C=C1)C(=O)OC23C4=CC=C(C=C4OC5=C3C=CC(=C5)O)O MCULE-7418337109 [0,1,0,0,0,0|0,0,0]=1 9 B30R5.41954199 NC1=CC2=C(C=C1)C3(OC2=O)C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O MCULE-8998187936 [0,1,0,0,0,0|0,0,0]=1 10 B30R5.221430682 NN1C(=O)C2=C(C13C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)C=CC=C2 MCULE-6265179811 [0,1,0,0,0,0|1,0,0]=2 11 B28R4.20007772 N=C1C=CC2=C(C3=C(C=C(C=C3)N)OC2=C1)C4=C(C=CC=C4)C(=O)O MCULE-9376313819 [0,0,1,0,0,0|2,0,1]=4 12 B28R4.20007772 NC1=CC2=C(C=C1)C(=C3C=CC(=[NH2+])C=C3O2)C4=CC=CC=C4C(=O)O MCULE-3766523018 [0,0,1,0,0,0|2,0,1]=4 13 B28R4.20007772 O=C(O)C1=CC=CC=C1C2C3=CC=C(C=C3OC4=C2C=CC(=C4)O)O MCULE-6561163985 [0,0,1,0,0,0|0,0,0]=1 14 B28R4.20007772 O=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=C(C=CC=C4)C(=O)O MCULE-7303795974 [0,0,1,0,0,0|0,0,2]=3 15 B28R4.20007772 O=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=CC=CC=C4C(=O)O MCULE-8810198732 [0,0,1,0,0,0|0,0,2]=3 16 B27R4.13169850 CC1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(C=C4)C MCULE-1332815544 [1,0,1,0,0,0|2,0,0]=4 17 B27R4.13169850 NC1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(C=C4)N MCULE-7486775253 [1,0,1,0,0,0|2,0,0]=4 18 B27R4.13169850 O=C1NC(C2=C1C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O MCULE-2491458652 [1,0,1,0,0,0|1,0,0]=3 19 B27R4.13169850 O=C1OC(C2=C1C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O MCULE-5232154932 [1,0,1,0,0,0|0,0,0]=2 20 B27R4.13169850 O=C1OC(C2=C1C=CC=C2)(C3=CC=C(C=C3)[O-])C4=CC=C(C=C4)[O-] MCULE-9540871938 [1,0,1,0,0,0|0,0,2]=4 21 B27R4.13169850 O=C1OC(C2=CC=CC=C12)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br MCULE-2923338272 [1,0,1,0,0,0|2,0,0]=4 22 B27R4.13169850 O=C1OC(C2=CC=CC=C12)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl MCULE-1578336103 [1,0,1,0,0,0|2,0,0]=4 23 B29R4.17743529 COC1=CC2=C(C=C1)C(C3=CC=C(C=C3O2)O)C4=C(C=CC=C4)C(=O)O MCULE-5881829859 [0,1,1,0,0,0|0,0,0]=2 24 B29R4.28294845 NC1=CC=C(C(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O MCULE-9502910534 [0,1,1,0,0,0|0,0,2]=4 25 B29R4.519008567 COC(=O)C1=C(C=CC=C1)C2=C3C=CC(=O)C=C3OC4=CC(=CC=C24)O MCULE-6106258405 [0,1,1,0,0,0|0,0,2]=4 26 B29R4.519008567 COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)N MCULE-2261439346 [0,1,1,0,0,0|2,0,0]=4 27 B29R4.1592227189 NC1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O MCULE-3611857922 [0,1,1,0,0,0|0,0,2]=4 28 B29R4.4385227904 CC1=CC(=CC=C1C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(C=C4C)O)O MCULE-5134035461 [0,1,1,0,0,0|1,0,0]=3 29 B31R5.18623614 COC1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(C=C5)OC MCULE-2949821126 [0,2,0,0,0,0|0,0,0]=2 30 B31R5.1376045284 O=C1OC2(C3=C(C=C(C(=C3)Cl)O)OC4=C2C=C(C(=C4)O)Cl)C5=C1C=CC=C5 MCULE-3756364265 [0,2,0,0,0,0|0,0,0]=2 31 B31R5.1376045284 O=C1OC2(C3=C(C=C(C(=C3)F)O)OC4=C2C=C(C(=C4)O)F)C5=C1C=CC=C5 MCULE-2064408201 [0,2,0,0,0,0|0,0,0]=2 32 B31R5.26649851 O=C1OC2(C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C5=C1C(=C(C=C5)Br)Br MCULE-4000154252 [0,2,0,0,0,0|0,0,0]=2 33 B31R5.518391793 NCC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O MCULE-4921176945 [0,2,0,0,0,0|0,0,0]=2 34 B31R5.518391793 NCC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O MCULE-7183043120 [0,2,0,0,0,0|0,0,0]=2 35 B31R5.26649843 NC1=CC2=C(C=C1N)C3(OC2=O)C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O MCULE-5003289525 [0,2,0,0,0,0|0,0,0]=2 36 B31R5.20390534 NN=C1C(=O)C2=C(C13C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)C=CC=C2 MCULE-7464086386 [0,2,0,0,0,0|1,0,0]=3 37 B31R5.95362967 NCC1=C(C=CC2=C1OC3=C(C24OC(=O)C5=C4C=CC=C5)C=CC(=C3)O)O MCULE-8668421750 [0,2,0,0,0,0|0,0,0]=2 38 B31R5.95362967 NCC1=C2OC3=CC(=CC=C3C4(C2=CC=C1O)OC(=O)C5=CC=CC=C45)O MCULE-9316536653 [0,2,0,0,0,0|0,0,0]=2 39 B31R5.655238380 O=C1OC2(C3=C1C=CC=C3)C4=C(OC5=C2C=CC(=C5Br)O)C(=C(C=C4)O)Br MCULE-3992334788 [0,2,0,0,0,0|0,0,0]=2 40 B31R5.655238380 O=C1OC2(C3=C1C=CC=C3)C4=C(OC5=C2C=CC(=C5Br)[O-])C(=C(C=C4)[O-])Br MCULE-3524253639 [0,2,0,0,0,0|0,0,2]=4 41 B31R5.655238380 O=C1OC2(C3=C1C=CC=C3)C4=C(OC5=C2C=CC(=C5I)O)C(=C(C=C4)O)I MCULE-8205231931 [0,2,0,0,0,0|0,0,0]=2 42 B31R5.655238380 O=C1OC2(C3=C1C=CC=C3)C4=C(OC5=C2C=CC(=C5I)[O-])C(=C(C=C4)[O-])I MCULE-1476973600 [0,2,0,0,0,0|0,0,2]=4 43 B31R5.655238380 O=C1OC2(C3=CC=CC=C13)C4=C(OC5=C2C=CC(=C5O)O)C(=C(C=C4)O)O MCULE-7019868167 [0,2,0,0,0,0|0,0,0]=2 44 B29R4.53845093 O=C(O)C1=C(C=CC=C1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O MCULE-1622902986 [0,0,1,0,0,1|0,0,1]=3