Actives/actives_table_GCR.csv

SMILES,Molecule Name,Target Name,Type
CC#C[C@]5(O)CC[C@H]4[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c3ccc(N(C)C)cc3)C[C@]45C,CHEMBL1201025_active,GCR,Active
C[C@@H]4C[C@H]3[C@@H]2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(OC(=O)c5ccco5)C(=O)SCF,CHEMBL1676_active,GCR,Active
CCN(CC(O)(CNc2cccc3n(c1ccc(F)cc1)ncc23)C(F)(F)F)C(=O)c4c(Cl)cccc4Cl,CHEMBL551816_active,GCR,Active
Oc4ccc2c(CC[C@@H]1C[C@@](O)(C#CCl)CC[C@]12Cc3ccccc3)c4,CHEMBL77779_active,GCR,Active
CC#C[C@]5(O)CCC4C3CCC1=CC(=O)CC[C@]1(Cc2ccc(C)cc2)C3=CC[C@@]45C,CHEMBL78704_active,GCR,Active
COc4c(O)ccc5o\c(=C/c1ccc(F)cc1\C=N\O)c3C2C(NC(C)(C)C=C2C)C=Cc3c45,CHEMBL232390_active,GCR,Active
CO/N=C(\C)c1ccsc1\C=c4/oc2ccc(O)c(OC)c2c5ccc3NC(C)(C)C=C(C)c3c45,CHEMBL397920_active,GCR,Active
COc5c(O)ccc6o\c(=C/c1sccc1C(=O)N2CCCCC2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL232573_active,GCR,Active
COc5c(O)ccc6o\c(=C/c2cc(F)cc1COCOc12)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL232376_active,GCR,Active
C[C@@H]4C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(O)C(=O)CO,CHEMBL384467_active,GCR,Active
CC3CC(C)(C)Nc4c(C)cc(c1cccc2cc[nH]c12)c(Cl)c34,CHEMBL258191_active,GCR,Active
COc5c(O)ccc6o\c(=C/c1sccc1C(=O)N2CCCCC2)c4c3C(C)=CC(C)(C)Nc3ccc4c56,CHEMBL243455_active,GCR,Active
COCCOC[C@@]23CN(S(=O)(=O)c1ccc(C)cc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5,CHEMBL270668_active,GCR,Active
COc5c(O)ccc6o\c(=C/c1sccc1C(=O)C2CCCCC2)c4c3C(C)=CC(C)(C)Nc3ccc4c56,CHEMBL243657_active,GCR,Active
COc5c(O)ccc6o\c(=C/c2cccc(c1ccsc1)c2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL231974_active,GCR,Active
CC3=CC(C)(C)Nc4ccc2c(C(CC=C)Oc1ccc(O)c(Cl)c12)c34,CHEMBL273658_active,GCR,Active
Fc6ccc(n5ncc4C[C@]3(CN1CCOCC1)CN(S(=O)(=O)c2ccccc2)CCC3=Cc45)cc6,CHEMBL257461_active,GCR,Active
COc4c(O)ccc5o\c(=C/c1cccc(C)n1)c3C2C(NC(C)(C)C=C2C)C=Cc3c45,CHEMBL232762_active,GCR,Active
COc5c(O)ccc6o\c(=C/c2cccc(c1cccnc1)c2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL231975_active,GCR,Active
COc6ccc(c5ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#CC)[C@@H]3CCC2=CC(=O)CCC2=C34)cc5)cc6,CHEMBL220955_active,GCR,Active
CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3c4ccc(F)cc4,CHEMBL186683_active,GCR,Active
C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3c4ccc(F)cc4)c5ccsc5,CHEMBL310570_active,GCR,Active
Fc6ccc(n5ncc4C[C@]3(CN1CCCCC1)CN(S(=O)(=O)c2ccccc2)CCC3=Cc45)cc6,CHEMBL409835_active,GCR,Active
CC(=O)O[C@]5(C(C)=O)CCC4C3C=C(Cl)C2=CC(=O)[C@@H]1CC1[C@]2(C)C3CC[C@@]45C,CHEMBL361245_active,GCR,Active
COc5c(O)ccc6o\c(=C/c1ccc(F)cc1C(=O)N2CCCCC2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL231967_active,GCR,Active
C[C@@]3(C(=O)Nc1nccs1)CC5(C#N)c2ccccc2C3c4ccccc45,CHEMBL473801_active,GCR,Active
COc3cccc4OC(c1cccc(C)c1)c2cc(NS(C)(=O)=O)ccc2c34,CHEMBL294800_active,GCR,Active
C[C@](O)([C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)c5ccccc5,CHEMBL569544_active,GCR,Active
C[C@](O)([C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)c5ccsc5,CHEMBL569044_active,GCR,Active
CC(C)(C)c6ccc(S(=O)(=O)N3CCC1=Cc4c(C[C@]1(CN2CCCC2)C3)cnn4c5ccc(F)cc5)cc6,CHEMBL429913_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCCC45O[C@H](C=C)[C@@H](C=C)O5,CHEMBL382102_active,GCR,Active
COc4cccc5OC(c1cc(Cl)cc(Cl)c1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL419158_active,GCR,Active
CC(C)(C)c6ccc(S(=O)(=O)N3CCC1=Cc4c(CC1(Cc2ccc(F)cc2)C3)cnn4c5ccc(F)cc5)cc6,CHEMBL270588_active,GCR,Active
CC3(C(=O)Nc1nncs1)CC5(C)c2ccccc2C3c4ccccc45,CHEMBL514630_active,GCR,Active
C[C@H]4C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(OC(=O)N[C@@H](C)c5ccccc5)C(=O)CO,CHEMBL500897_active,GCR,Active
CC[C@@]24C[C@H](O)[C@H](c1ccccc1)C[C@H]2CCc3cc(O)ccc34,CHEMBL469944_active,GCR,Active
CC6(C)O[C@@H]4CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@]4(S[C@@H]5CCOC5=O)O6,CHEMBL158091_active,GCR,Active
CC(C)(C)c6ccc(S(=O)(=O)N3CCC1=Cc4c(C[C@]1(CN2CCC2)C3)cnn4c5ccc(F)cc5)cc6,CHEMBL403179_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@@H](O)CCC5CC5,CHEMBL312399_active,GCR,Active
COc4c(O)ccc5o\c(=C/c1oc(C)cc1C(=O)N(C)C)c3C2C(NC(C)(C)C=C2C)C=Cc3c45,CHEMBL392091_active,GCR,Active
CC#C[C@]6(O)CC[C@H]5[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c4ccc(Oc3ccccc3)cc4)C[C@@]56C,CHEMBL222515_active,GCR,Active
CC[C@@]25C[C@H](O)[C@](O)(c1ccccc1)C[C@H]2CCc4cc(OCc3cccnc3C)ccc45,CHEMBL470783_active,GCR,Active
CCC[C@@]13CC[C@](O)(C#CC)C[C@H]1CCc2cc(O)ccc23,CHEMBL510216_active,GCR,Active
Cc5ccc([C@@](C)(O)[C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)s5,CHEMBL572329_active,GCR,Active
CCC4(CC(O)(CNC(=O)c2cnn(c1ccccc1)c2N)C(F)(F)F)CCCc3ccccc34,CHEMBL394168_active,GCR,Active
CS[C@@]15OC(C)(C)O[C@@H]1CC4C3CCC2=CC(=O)C=C[C@]2(C)[C@@]3(F)[C@@H](O)C[C@@]45C,CHEMBL357651_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4C(O)c5ccc(F)cc5,CHEMBL184109_active,GCR,Active
CC3CC(C)(C)Nc4c(C)cc(c1cccc2[nH]ccc12)c(Cl)c34,CHEMBL258193_active,GCR,Active
CC#C[C@]6(O)CC[C@H]5[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c4ccc(N(C)Cc3ccc(CC(O)=O)cc3)cc4)C[C@@]56C,CHEMBL440227_active,GCR,Active
COc5c(O)ccc6o\c(=C/c2cccc(Oc1ccccc1)c2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL231772_active,GCR,Active
C[C@@](O)(C1CCCCC1)[C@H]4CCCC5=Cc3c(c2ccc(F)cc2)ncn3C[C@]45C,CHEMBL572212_active,GCR,Active
CC(C)(C)c5ccc(S(=O)(=O)N4CCC1=CC(=O)CCC1(Cc3ccc(c2ccncc2)cc3)C4)cc5,CHEMBL246834_active,GCR,Active
C[C@](O)([C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)c5cccnc5,CHEMBL583625_active,GCR,Active
C[C@](O)([C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)c5ccncc5,CHEMBL566823_active,GCR,Active
C[C@@](O)(C1CCOCC1)[C@H]4CCCC5=Cc3c(c2ccc(F)cc2)ncn3C[C@]45C,CHEMBL572355_active,GCR,Active
CC#C[C@@]5(O)CC[C@]4(Cc1ccccc1)[C@H](CCc3cc(C(=O)NCc2ccncc2)ccc34)C5,CHEMBL1090477_active,GCR,Active
CCN(C[C@](O)(CNC(=O)c2cnn(c1ccc(F)cc1)c2N)C(F)(F)F)C(=O)c3c(Cl)cccc3Cl,CHEMBL455662_active,GCR,Active
COc4cccc5OC(C1CCCC1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL337112_active,GCR,Active
C[C@@H]5CC(C)(C)O[C@@]2(CCC1=Cc3c(C[C@@]12C)cnn3c4ccc(F)cc4)O5,CHEMBL195967_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CC[C@@H]4[C@H](O)c5ccsc5,CHEMBL411825_active,GCR,Active
Cc1c(NS(C)(=O)=O)cccc1N(Cc2ccccc2)Cc4ccc(Oc3ccc(OCC(O)=O)cc3)cc4,CHEMBL190225_active,GCR,Active
CCC[C@@H]5O[C@@H]4CC3C2CCC1=CC(=O)CC[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@]4(SC)O5,CHEMBL344763_active,GCR,Active
CC#C[C@]6(O)CC[C@H]5[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c4ccc(N(C)C[C@@H]3C[C@@H](O)CC(=O)O3)cc4)C[C@@]56C,CHEMBL182961_active,GCR,Active
COc5c(O)ccc6o\c(=C/c2cccc(c1ccccc1)c2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL231770_active,GCR,Active
CC[C@@]14CC[C@](O)(C#CC)C[C@H]1CCc3cc(OCc2cccnc2C)ccc34,CHEMBL457036_active,GCR,Active
COc4c(O)ccc5o\c(=C/c1cccc(C)c1F)c3c2C(C)=CC(C)(C)Nc2ccc3c45,CHEMBL259820_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4C(O)c6ccc5ccccc5c6,CHEMBL186948_active,GCR,Active
Fc6ccc(CC23CN(Cc1ccccc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL271263_active,GCR,Active
CCN(CC(O)(CNc2cccc3n(c1ccccc1)ncc23)C(F)(F)F)S(=O)(=O)c4ccccc4,CHEMBL559547_active,GCR,Active
C[C@@](O)(C1CC1)[C@H]4CCCC5=Cc3c(c2ccc(F)cc2)ncn3C[C@]45C,CHEMBL584522_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@@H](O)c5ccoc5,CHEMBL371376_active,GCR,Active
C/C=C/[C@H]5OC2(CCC1=Cc3c(C[C@@]12C)cnn3c4ccc(F)cc4)O[C@@H]5\C=C\C,CHEMBL444286_active,GCR,Active
CC#C[C@]6(O)CC[C@H]5[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c4ccc(N(C)CC(=O)Nc3ccc(C(O)=O)cc3)cc4)C[C@@]56C,CHEMBL437166_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@@H](O)Cc5ccc(F)cc5,CHEMBL82546_active,GCR,Active
Cc3noc(=O)c4ccc(NC(=O)C(O)(CC(C)(C)c2cccc1CCOc12)C(F)(F)F)cc34,CHEMBL216272_active,GCR,Active
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c3ccc(F)cc3O,CHEMBL219207_active,GCR,Active
CC#C[C@]7(O)CC[C@H]6[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c5ccc(P(=O)(c3ccccc3)c4ccccc4)cc5)C[C@@]67C,CHEMBL251303_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CC[C@@H]4[C@@H](O)c5coc6ccccc56,CHEMBL236202_active,GCR,Active
Fc6ccc(CC23CN(S(=O)(=O)Nc1ccccc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL403178_active,GCR,Active
Nc5nc(N1CCNCC1)c4CCC3=C([C@@H]2CCCC[C@@H]2O3)c4n5,CHEMBL519240_active,GCR,Active
CC[C@@]14CC[C@](O)(C#CC)C[C@H]1CCc3cc(OCc2ccncc2)ccc34,CHEMBL457035_active,GCR,Active
C[C@](O)([C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)c5nccs5,CHEMBL569290_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4C(O)CCc5ccccc5,CHEMBL186805_active,GCR,Active
CCN(CC(O)(CNC(=O)c2cnn(c1ccc(F)cc1)c2N)C(F)(F)F)C(=O)c4ccc3[nH]ccc3c4,CHEMBL465919_active,GCR,Active
CC6(C)O[C@@H]4CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@]4(C(=O)CSC5CCOC5=O)O6,CHEMBL302366_active,GCR,Active
C[C@H]4C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(OC(=O)NC5CCCCC5)C(=O)CO,CHEMBL503848_active,GCR,Active
COc5c(O)ccc6o\c(=C/c1ccccc1c2ccccc2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL231757_active,GCR,Active
C[C@H]4C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(OC(=O)NC5CCCC5)C(=O)CO,CHEMBL525442_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(CN2CCC(=O)c3ccccc23)C(F)(F)F,CHEMBL219314_active,GCR,Active
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c4cccc3CCOc34,CHEMBL373497_active,GCR,Active
Cc2noc(=O)c3ccc(NC(=O)C(O)(CC(C)(C)c1cc(F)ccc1O)C(F)(F)F)cc23,CHEMBL196374_active,GCR,Active
CC(C)(C)c4ccc(S(=O)(=O)N3CCC1=CC(=O)CC[C@]1(Cc2ccccc2)C3)cc4,CHEMBL247234_active,GCR,Active
C[C@@](O)(CC=C)[C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C,CHEMBL565320_active,GCR,Active
COc5c(O)ccc6o\c(=C/c2ccc(c1ccccc1)cc2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL437556_active,GCR,Active
CC(C)(C)c6ccc(S(=O)(=O)N3CCC1=Cc4c(CC1(Cc2ccc(F)cc2)C3)cnn4c5ccc(F)cc5)cn6,CHEMBL257079_active,GCR,Active
Clc4cccc(C3CCN(c1[nH]c(=O)[nH]c(=O)c1Cc2ccccc2)CC3)c4,CHEMBL231399_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CC[C@@H]4[C@@H](O)c5csc6ccccc56,CHEMBL233789_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@H](O)c5ccc(F)nc5,CHEMBL364015_active,GCR,Active
Cc1c(NS(C)(=O)=O)cccc1N(Cc2ccccc2)Cc3ccc(Cl)cc3F,CHEMBL70381_active,GCR,Active
C[C@H]4C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(OC(=O)NC67CC5CC(CC(C5)C6)C7)C(=O)CO,CHEMBL503041_active,GCR,Active
Oc4ccc2c(CC[C@@H]1CC(=O)CC[C@]12Cc3ccccc3)c4,CHEMBL310180_active,GCR,Active
CC(C)(CC(O)(C(=O)Nc2ccc1C(=O)OCc1c2)C(F)(F)F)c3cc(F)ccc3O,CHEMBL194745_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CC[C@@H]4[C@H](O)c5ccc(F)cc5,CHEMBL233389_active,GCR,Active
CCC[C@@H]6O[C@@H]4CC3C2C[C@H](F)C1=CC(=O)CC[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@]4(S[C@@H]5CCOC5=O)O6,CHEMBL414449_active,GCR,Active
O=c4[nH]c(N2CCCC(c1ccccc1)C2)c(Cc3ccccc3)c(=O)[nH]4,CHEMBL231502_active,GCR,Active
COc5c(O)ccc6o\c(=C/c1ccc(F)cc1S(=O)(=O)N2CCCCC2)c4C3C(NC(C)(C)C=C3C)C=Cc4c56,CHEMBL234602_active,GCR,Active
CN6CCN(C[C@@]23CN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)CC6,CHEMBL403334_active,GCR,Active
COc3cccc4OC(c1cccs1)c2cc(NS(C)(=O)=O)ccc2c34,CHEMBL293388_active,GCR,Active
Cc3noc(=O)c4ccc(NC(=O)C(O)(CC1CCCCC1)CC(C)(C)c2cc(F)ccc2O)cc34,CHEMBL195962_active,GCR,Active
Cc3noc(=O)c4ccc(NC(=O)C(O)(Cc1ccccc1)CC(C)(C)c2ccccc2)cc34,CHEMBL363200_active,GCR,Active
CSc5ccc([C@@H]4OC[C@]1(C)[C@H](CC[C@]1(O)C(F)(F)C(F)(F)F)[C@@H]3CCC2=CC(=O)CCC2=C34)cc5,CHEMBL555872_active,GCR,Active
CC34Cn2cnc(c1ccc(F)cc1)c2C=C3CCCC4C(O)c5csc6ccccc56,CHEMBL569543_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@@H](O)c5cccs5,CHEMBL196347_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cc2cc(C)cc(C)c2C#N)C(F)(F)F,CHEMBL392501_active,GCR,Active
COc4cccc5OC(Cc1ccccc1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL343135_active,GCR,Active
C[C@@H]5C[C@@H](C)OC2(CCCC1=Cc3c(C[C@@]12C)cnn3c4ccc(F)cc4)O5,CHEMBL195451_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CC[C@]46OC[C@@H](c5ccccc5)O6,CHEMBL196232_active,GCR,Active
C[C@@](C1CC1)(c2ccc(F)cc2F)c3c[nH]c4c(NS(C)(=O)=O)cccc34,CHEMBL235206_active,GCR,Active
CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc3ccc2C(=O)OCc2c3)c4ccccc4,CHEMBL363137_active,GCR,Active
CC(C)(C)c5ccc(S(=O)(=O)N4CCC1=CC(=O)CCC1(Cc3ccc(N2CCCCC2)cc3)C4)cc5,CHEMBL246835_active,GCR,Active
COc4cccc5OC(C1CCCCC1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL141524_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(CN2C[C@@H](C)C(=O)[C@@H](C)C2)C(F)(F)F,CHEMBL216273_active,GCR,Active
CC3CC(C)(C)Nc4c(C)cc(c1c[nH]c2ccccc12)c(Cl)c34,CHEMBL404496_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCCC47O[C@H](c5ccccc5)[C@@H](c6ccccc6)O7,CHEMBL193798_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC47O[C@H](c5ccccc5)[C@@H](c6ccccc6)O7,CHEMBL195990_active,GCR,Active
CC(C)(C)c5ccc(S(=O)(=O)N4CCC1=CC(=O)CCC1(Cc3ccc(N2CCOCC2)cc3)C4)cc5,CHEMBL247006_active,GCR,Active
Fc5ccc(n3ncc4cc(c2ccc(NS(=O)(=O)Cc1ccccc1)cc2C(F)(F)F)ccc34)cc5,CHEMBL1086484_active,GCR,Active
CS(=O)(=O)Nc4ccc(c3ccc2n(c1ccc(F)cc1)ncc2c3)c(C(F)(F)F)c4,CHEMBL1084360_active,GCR,Active
COc3cccc4OC(c1ccsc1)c2cc(NS(C)(=O)=O)ccc2c34,CHEMBL65498_active,GCR,Active
C[C@@](O)(Cc1ccc(F)cc1)[C@H]4CCCC5=Cc3c(c2ccc(F)cc2)ncn3C[C@]45C,CHEMBL569100_active,GCR,Active
COc4cccc5OC(C1CCC=C1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL47463_active,GCR,Active
CC(C)(C)c6ccc(S(=O)(=O)N3CCC1=Cc4c(C[C@]1(COCCN2CCCC2)C3)cnn4c5ccc(F)cc5)cc6,CHEMBL273143_active,GCR,Active
CCCCS(=O)(=O)N3CCC1=Cc4c(CC1(Cc2ccc(F)cc2)C3)cnn4c5ccc(F)cc5,CHEMBL402284_active,GCR,Active
CCC[C@@H]6O[C@@H]4CC3C2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@]4(Sc5ccccn5)O6,CHEMBL144841_active,GCR,Active
Fc5ccc(n3ncc4cc(c2ccc(NS(=O)(=O)c1ccsc1)cc2C(F)(F)F)ccc34)cc5,CHEMBL1082780_active,GCR,Active
CN(c1ccccc1)S(=O)(=O)c5ccc(c4ccc3n(c2ccc(F)cc2)ncc3c4)c(C(F)(F)F)c5,CHEMBL1083487_active,GCR,Active
Cc1c(NS(C)(=O)=O)cccc1N(Cc2ccccc2)Cc4ccc(C(=O)c3ccccc3)cc4,CHEMBL182842_active,GCR,Active
CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc3ccc2C(=O)OCc2c3)c4ccccc4,CHEMBL197161_active,GCR,Active
OC(c1ccnc(Cl)c1)(c4ccc3n(c2ccc(F)cc2)ncc3c4)C(F)(F)F,CHEMBL1094209_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(CN2CCOc3ccccc23)C(F)(F)F,CHEMBL386915_active,GCR,Active
Fc6ccc(CC23CN(c1ccccc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL404192_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4C(O)c6ccc(Oc5ccccc5)cc6,CHEMBL182827_active,GCR,Active
COc5cccc(S(=O)(=O)Nc4ccc(c3ccc2n(c1ccc(F)cc1)ncc2c3)c(C(F)(F)F)c4)c5,CHEMBL1084013_active,GCR,Active
Cn4c(=O)[nH]c(N2CCC(Cc1ccccc1)CC2)c(Cc3cccc(Cl)c3)c4=O,CHEMBL230030_active,GCR,Active
COc4cccc5OC(c1ccccc1)c3cc(NS(=O)(=O)c2cccs2)ccc3c45,CHEMBL65570_active,GCR,Active
Fc6ccc(CC23CN(Cc1ccccn1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL403173_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@@H](O)c6cc5ccccc5s6,CHEMBL195972_active,GCR,Active
OC(c3ccc2n(c1ccc(F)cc1)ncc2c3)(c4cccc(Cl)c4Cl)C(F)(F)F,CHEMBL1094208_active,GCR,Active
CS(=O)(=O)Nc1ccc4c(c1)N(Cc2ccccc2)Cc3ccccc34,CHEMBL72182_active,GCR,Active
CCCCCC2Oc1cccc(OC)c1c3ccc(NS(C)(=O)=O)cc23,CHEMBL442744_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cc2ccc(C#N)c3ccccc23)C(F)(F)F,CHEMBL392500_active,GCR,Active
COc6ccc([C@@H]5OC[C@]1(C)[C@H](CC[C@]1(O)C#Cc2ccccc2)[C@@H]4CCC3=CC(=O)CCC3=C45)cc6,CHEMBL549778_active,GCR,Active
Fc6ccc(CC23CN(Cc1cccnc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL255570_active,GCR,Active
CN(C)c6ccc([C@H]5C[C@@]1(C)[C@@H](CC[C@@]1(O)C#Cc2ccc(C)cc2)[C@@H]4OCC3=CC(=O)CCC3=C45)cc6,CHEMBL232223_active,GCR,Active
CCC6=N[C@]5(CC[C@H]4[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c3ccc(N(C)C)cc3)C[C@@]45C)C(=C)O6,CHEMBL250425_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CCC[C@@H]4[C@@H](O)c5ccncc5,CHEMBL365818_active,GCR,Active
CCN(CC(O)(CNc2nc(C)nc3n(c1ccccc1)ncc23)C(F)(F)F)S(=O)(=O)c4ccc(F)cc4,CHEMBL562337_active,GCR,Active
Fc6ccc(CC23CN(S(=O)(=O)N1CCOCC1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL271853_active,GCR,Active
C[C@](O)([C@H]3CCCC4=Cc2c(c1ccc(F)cc1)ncn2C[C@]34C)c5ccccn5,CHEMBL583859_active,GCR,Active
CCN(CC(O)(CNC(=O)c2cnn(c1ccccc1)c2N)C(F)(F)F)S(=O)(=O)c3ccc(F)cc3,CHEMBL564332_active,GCR,Active
C[C@]34Cc2cnn(c1ccc(F)cc1)c2C=C3CC[C@@H]4[C@H](O)c5cccc6ccccc56,CHEMBL236201_active,GCR,Active
CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]45,CHEMBL1393_active,GCR,Active
CN(C)c6ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#CC2CC2)[C@@H]5OCC3=CC(=O)CCC3=C45)cc6,CHEMBL428011_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cn2ccc(=O)c3cnccc23)C(F)(F)F,CHEMBL386916_active,GCR,Active
Cc3cn(CC(O)(CC(C)(C)c2cccc1CCOc12)C(F)(F)F)cc(C)c3=O,CHEMBL219084_active,GCR,Active
Fc4cc(C#N)cc(c3ccc2N=C(S)C1(CCCCC1)c2c3)c4,CHEMBL28157_active,GCR,Active
Cc1cc(C#N)sc1c3ccc2NC(C)(C)C(=O)C(C)(C)c2c3,CHEMBL132889_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(CN2C[C@@H](C)O[C@@H](C)C2)C(F)(F)F,CHEMBL375348_active,GCR,Active
CCN(CC(O)(CNC(=O)c2cnn(c1ccc(F)cc1)c2N)C(F)(F)F)C(=O)c3cccnc3Cl,CHEMBL481784_active,GCR,Active
CCN(CC(O)(CNC(=O)c2cnn(c1ccc(F)cc1)c2N)C(F)(F)F)C(=O)c3ncccc3Cl,CHEMBL520276_active,GCR,Active
Fc6ccc(CC23CN(Cc1ccncc1)CCC2=Cc4c(C3)cnn4c5ccc(F)cc5)cc6,CHEMBL429592_active,GCR,Active
CC2CC(C)(C)Nc3ccc(c1sc(C#N)cc1C)cc23,CHEMBL134260_active,GCR,Active
COc1ccc(F)cc1c4ccc3NC(C)(C)C=C(CSCCc2ccccc2)c3c4,CHEMBL379024_active,GCR,Active
COc3cccc4OC(C1CCCCC1)c2cc(NS(C)(=O)=O)ccc2c34,CHEMBL303071_active,GCR,Active
O=c4[nH]c(N2CCC(c1ccccc1)C2)c(Cc3ccccc3)c(=O)[nH]4,CHEMBL396253_active,GCR,Active
C[C@@](O)(CCc1ccccc1)[C@H]4CCCC5=Cc3c(c2ccc(F)cc2)ncn3C[C@]45C,CHEMBL568868_active,GCR,Active
COc4cccc5OC(c2cccc(Oc1ccccc1)c2)c3cc(NS(C)(=O)=O)ccc3c45,CHEMBL66582_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cn2cnc3ccccc23)C(F)(F)F,CHEMBL373498_active,GCR,Active
O=C5CCC4(Cc1ccccc1)CN(S(=O)(=O)c3ccc(c2ccccc2)cc3)CCC4=C5,CHEMBL247235_active,GCR,Active
CN(C)c5ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#CC(F)(F)F)[C@@H]3OCC2=CC(=O)CCC2=C34)cc5,CHEMBL231413_active,GCR,Active
CN(C)c6ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#Cc2ccsc2)[C@@H]5OCC3=CC(=O)CCC3=C45)cc6,CHEMBL397191_active,GCR,Active
CCOP(=O)(OCC)c6ccc([C@H]5C[C@@]1(C)[C@@H](CC[C@]12OCCC2=C)[C@@H]4CCC3=CC(=O)CCC3=C45)cc6,CHEMBL400047_active,GCR,Active
CC(C)(CC(O)(CCc1ccccc1)C(=O)Nc3ccc2C(=O)OCc2c3)c4ccccc4,CHEMBL427554_active,GCR,Active
CN(C)c6ccc([C@@H]5OC[C@@]1(C)[C@@H](CC[C@]12OCCC2=C)[C@@H]4CCC3=CC(=O)CCC3=C45)cc6,CHEMBL551863_active,GCR,Active
COc4cccc5OC(c2ccc(Oc1ccccc1)cc2)c3cc(NS(C)(=O)=O)ccc3c45,CHEMBL64095_active,GCR,Active
CCn2ncc3c(Cl)c(C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)cnc23,CHEMBL1093772_active,GCR,Active
O=C5CCC4(Cc1ccccc1)CN(S(=O)(=O)c3ccc(N2CCOCC2)cc3)CCC4=C5,CHEMBL247604_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cn2ccc(=O)c3ncccc23)C(F)(F)F,CHEMBL219140_active,GCR,Active
Cn4c(=O)[nH]c(N2CCC(Oc1ccccc1)CC2)c(Cc3ccccc3)c4=O,CHEMBL230247_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(CNc3ccc2C(=O)OCc2c3)Cc4ccccc4,CHEMBL197100_active,GCR,Active
CC4=CC(C)(C)Nc5ccc3c1cc(F)ccc1o\c(=C/c2ccsc2)c3c45,CHEMBL134277_active,GCR,Active
CC3(C(=O)Nc1ncc[nH]1)CC4c2ccccc2C3c5ccccc45,CHEMBL474381_active,GCR,Active
Cn1c(C#N)ccc1c4ccc3[nH]c(=S)n(C2CCCC2)c3c4,CHEMBL239957_active,GCR,Active
CC3CC(C)(C)Nc4c(C)cc(c2cc1ccccc1[nH]2)c(Cl)c34,CHEMBL436848_active,GCR,Active
Cc1noc(C)c1c4ccc(CNC(=O)c3cnc2n(C)nc(C)c2c3Cl)cc4,CHEMBL1093774_active,GCR,Active
CC4=CC(C)(C)Nc5ccc3c1cc(F)ccc1o\c(=C/c2ccco2)c3c45,CHEMBL336169_active,GCR,Active
COc4cccc5OC(C1CCCCC=C1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL264560_active,GCR,Active
CC(C)(CC(O)(Cc2ccc1ccccc1c2)C(=O)Nc4ccc3C(=O)OCc3c4)c5ccccc5,CHEMBL197552_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cn2cc(C)c(=O)c(C)c2)C(F)(F)F,CHEMBL219015_active,GCR,Active
Cn1c(C#N)ccc1c4ccc3NC(=O)COC(C)(c2ccco2)c3c4,CHEMBL489788_active,GCR,Active
CCCCC[C@H]4C[C@@]1(C)C(CC[C@@H]1O)C3CCC2=CC(=O)CCC2=C34,CHEMBL184313_active,GCR,Active
Cn1c(C#N)ccc1c4ccc3NC(=O)COC(C)(c2ccsc2)c3c4,CHEMBL522432_active,GCR,Active
COc4cccc5OC(c1ccccc1)c3cc(NS(=O)(=O)c2ccccc2)ccc3c45,CHEMBL65469_active,GCR,Active
CC4=CC(C)(C)Nc5ccc3c1cc(F)ccc1oc(=C2SCCCS2)c3c45,CHEMBL65929_active,GCR,Active
Cn4c(=O)[nH]c(N2CCC(CCc1ccccc1)CC2)c(Cc3ccccc3)c4=O,CHEMBL230885_active,GCR,Active
Oc4ccc2c(CCC1=CC(=O)CC[C@]12Cc3ccccc3)c4,CHEMBL78646_active,GCR,Active
CC3(C(=O)Nc1ccc(N(=O)=O)cc1O)CC4c2ccccc2C3c5ccccc45,CHEMBL514185_active,GCR,Active
O=C5CCC4(Cc1ccccc1)CN(S(=O)(=O)c3ccc(Oc2ccccc2)cc3)CCC4=C5,CHEMBL247601_active,GCR,Active
CC12CCC(=O)C=C1CCCC2C(O)c3csc4ccccc34,CHEMBL426262_active,GCR,Active
CN(C)c6ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#Cc2ccccn2)[C@@H]5OCC3=CC(=O)CCC3=C45)cc6,CHEMBL429618_active,GCR,Active
CC(C)=C/C=c3\oc1ccc(F)cc1c4ccc2NC(C)(C)C=C(C)c2c34,CHEMBL65690_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(C(C)OCCc2ccc(Cl)cc2)c3c4,CHEMBL430004_active,GCR,Active
CC4=CC(C)(C)Nc5ccc3c1cc(F)ccc1o\c(=C/c2ncccc2C)c3c45,CHEMBL132363_active,GCR,Active
CCC4(c1ccco1)OCC(=O)Nc3ccc(c2cc(F)cc(C#N)c2)cc34,CHEMBL501080_active,GCR,Active
C[C@@H]4C(=O)C(C)(C)Nc5ccc3c1ccccc1O[C@@H](c2cccc(F)c2)c3c45,CHEMBL36564_active,GCR,Active
COc4cccc(c1ccccc1CNC(=O)c3cnc2n(C)nc(C)c2c3Cl)c4,CHEMBL1089743_active,GCR,Active
COc4cccc5OC(CC=C1CCCC1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL49694_active,GCR,Active
COc4cccc5OC(CC1=CCCCC1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL49632_active,GCR,Active
C/C=C4/C(=O)CC3C2CCC1=CC(=O)CC[C@]1(C)C2CC[C@@]34C,CHEMBL197846_active,GCR,Active
Cn4c(=O)[nH]c(N2CCC(C(=O)c1ccccc1)CC2)c(Cc3ccccc3)c4=O,CHEMBL230988_active,GCR,Active
COc4cccc5OC(C1CCCCCC=C1)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL48308_active,GCR,Active
CC4=CC(C)(C)Nc5ccc3c1cc(F)ccc1o\c(=C/c2ccncc2C)c3c45,CHEMBL130141_active,GCR,Active
CN(C)c6ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#Cc2ccncc2)[C@@H]5OCC3=CC(=O)CCC3=C45)cc6,CHEMBL232828_active,GCR,Active
CCc3nn(C)c4ncc(C(=O)NCC2Cc1ccccc1C2)c(Cl)c34,CHEMBL1089350_active,GCR,Active
Cc1noc(C)c1c5ccc(CNC(=O)c4cnc3n(Cc2ccccn2)nc(C)c3c4Cl)cc5,CHEMBL1091054_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(C(C)OCCCc2ccccc2)c3c4,CHEMBL228932_active,GCR,Active
CCCC3=C(C(=O)OCC)[C@H](c1ccnc2ccccc12)C(C#N)=C(C)N3,CHEMBL1094797_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cc3ccc2ccccc2c3)C(F)(F)F,CHEMBL238044_active,GCR,Active
COc4cccc5OC(c1ccccc1)c3cc(NC(=O)c2ccccc2)ccc3c45,CHEMBL302147_active,GCR,Active
Cc1noc(C)c1c5ccc(CNC(=O)c4cnc3n(Cc2ccccc2)ncc3c4Cl)cc5,CHEMBL1091439_active,GCR,Active
Cc1noc(C)c1c5ccc(CNC(=O)c4cnc3n(c2ccccc2)nc(C)c3c4Cl)cc5,CHEMBL1091440_active,GCR,Active
COc4cccc5OC(C1CCCCC1=C)c3c(ccc2NC(C)(C)C=C(C)c23)c45,CHEMBL295475_active,GCR,Active
CCC2C(C)CNc3cc1oc(=O)cc(C(F)(F)F)c1cc23,CHEMBL268568_active,GCR,Active
CN(C)c6ccc([C@H]4C[C@@]1(C)[C@@H](CC[C@@]1(O)C#Cc2cccnc2)[C@@H]5OCC3=CC(=O)CCC3=C45)cc6,CHEMBL232434_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(CSC2CCCCC2)c3c4,CHEMBL381387_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(C(C)OCCC2CCCCC2)c3c4,CHEMBL395051_active,GCR,Active
COc4cccc5OC(c1ccccc1)c3cc(NCc2ccccc2)ccc3c45,CHEMBL305393_active,GCR,Active
CS(=O)(=O)Nc3cccc(N(Cc1ccccc1)Cc2ccccc2)c3c4ccccc4,CHEMBL71405_active,GCR,Active
COc3cccc4OC(c1cccnc1)c2cc(NS(C)(=O)=O)ccc2c34,CHEMBL291610_active,GCR,Active
CC3CC(C)(C)Nc4c(C)cc(c2ccc1cc[nH]c1c2)c(Cl)c34,CHEMBL402362_active,GCR,Active
CC(C)(CC(O)(C(=O)Nc2ccc1C(=O)OCc1c2)c3ccccc3)c4ccccc4,CHEMBL372181_active,GCR,Active
Cn4c(=O)[nH]c(N2CCN(c1ccccc1)CC2)c(Cc3ccccc3)c4=O,CHEMBL438503_active,GCR,Active
Cc1noc(C)c1c5ccc(CNC(=O)c4cnc3n(C2CCCC2)ncc3c4Cl)cc5,CHEMBL1093055_active,GCR,Active
CCOc4ccc(CC2Oc1cccc(OC)c1c3ccc(NS(C)(=O)=O)cc23)cc4,CHEMBL292970_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(CSC2CCCC2)c3c4,CHEMBL205978_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cn2cc(C)nc2C)C(F)(F)F,CHEMBL220023_active,GCR,Active
CS(=O)(=O)Nc1ccc5c(c1)C(c2ccccc2)Oc4cccc(c3cccs3)c45,CHEMBL303094_active,GCR,Active
CC4C(=O)C(C)(C)Nc5ccc3c1ccccc1o\c(=C/c2ccccc2)c3c45,CHEMBL32603_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(Cn2cnc(=O)c3ccccc23)C(F)(F)F,CHEMBL219068_active,GCR,Active
CCCC2=C(C(=O)OC)C(c1ccc(F)cc1Cl)C(C#N)=C(C)N2,CHEMBL1215549_active,GCR,Active
CC(C)(CC(O)(Cc2ccc(c1ccccc1)cc2)C(=O)Nc4ccc3C(=O)OCc3c4)c5ccccc5,CHEMBL196929_active,GCR,Active
CC(C)(CC(O)(Cc1ccccn1)C(=O)Nc3ccc2C(=O)OCc2c3)c4ccccc4,CHEMBL366182_active,GCR,Active
CC2=CC(C)(C)Nc3ccc(c1sc(C#N)cc1C)cc23,CHEMBL131855_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(CSc2ccc(Cl)cc2)c3c4,CHEMBL205414_active,GCR,Active
CC3(C)Nc2ccc(c1csc(C#N)c1)cc2C(C)(C)C3=O,CHEMBL131681_active,GCR,Active
COc3cc([C@@H]1[C@@H](C)[C@H](C)[C@H]1c2ccc(O)c(OC)c2)ccc3O,CHEMBL228274_active,GCR,Active
COc1ccc(F)cc1C(C)(C)CC(O)(CN2CCCc3ccccc23)C(F)(F)F,CHEMBL218976_active,GCR,Active
COc1ccccc1c4ccc3NC(C)(C)C=C(C(C)OC/C=C/c2ccccc2)c3c4,CHEMBL394344_active,GCR,Active