Actives/actives_table_HS90A.csv

SMILES,Molecule Name,Target Name,Type
C[C@@H]1Cc2cc(ccc2O)NC(=O)/C(=C/CC[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C,CHEMBL512489_active,HS90A,Active
Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N,CHEMBL467399_active,HS90A,Active
C[C@@H]1Cc2cc(ccc2O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C,CHEMBL511439_active,HS90A,Active
C[C@@H]1C[C@H]2[C@H](O2)/C=C\C=C\C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,CHEMBL453386_active,HS90A,Active
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL109480_active,HS90A,Active
C[C@@H]1Cc2cccc(c2)NC(=O)/C(=C/CC[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C,CHEMBL469932_active,HS90A,Active
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL339231_active,HS90A,Active
CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl,CHEMBL517583_active,HS90A,Active
CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4,CHEMBL252164_active,HS90A,Active
C[C@@H]1Cc2c(c(cc(c2O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C)O)N,CHEMBL209356_active,HS90A,Active
COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl,CHEMBL454733_active,HS90A,Active
C[C@@H]1Cc2c(c(cc(c2O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C)O)NCC=C,CHEMBL377559_active,HS90A,Active
Cc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl,CHEMBL457042_active,HS90A,Active
C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@H]([C@@H](/C=C/C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL378352_active,HS90A,Active
C#CCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4,CHEMBL365159_active,HS90A,Active
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL278315_active,HS90A,Active
CCNC(=O)c1c(c(n[nH]1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,CHEMBL365617_active,HS90A,Active
CCOP(=O)(CCn1c2c(c(ncn2)N)nc1Sc3nc4cncc(c4s3)Br)OCC,CHEMBL212133_active,HS90A,Active
COc1ccc(c(c1)Sc2nc3c(ncnc3n2CCCC#C)N)I,CHEMBL191635_active,HS90A,Active
CCOP(=O)(CCn1c2c(c(ncn2)N)nc1Sc3nc4cncc(c4s3)Cl)OCC,CHEMBL212850_active,HS90A,Active
CCOP(=O)(CCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl)OCC,CHEMBL377371_active,HS90A,Active
c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl,CHEMBL404630_active,HS90A,Active
COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl,CHEMBL515048_active,HS90A,Active
CC(C)(C)CNCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL215657_active,HS90A,Active
CNC(=O)c1c(c(n[nH]1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,CHEMBL424811_active,HS90A,Active
c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Br,CHEMBL254875_active,HS90A,Active
CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC,CHEMBL514748_active,HS90A,Active
C[C@@H]1Cc2cc(cc(c2O)Cl)NC(=O)/C(=C/CC[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C,CHEMBL511618_active,HS90A,Active
COc1ccc(cc1)c2c(n[nH]c2C(=O)N)c3cc(c(cc3O)O)Cl,CHEMBL366215_active,HS90A,Active
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4,CHEMBL200102_active,HS90A,Active
c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Cl,CHEMBL362307_active,HS90A,Active
Cc1c(c([nH]n1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC,CHEMBL364968_active,HS90A,Active
CCNC(=O)c1c(c(n[nH]1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC,CHEMBL190182_active,HS90A,Active
COc1ccc(c(c1)Sc2nc3c(ncnc3n2CCCC#C)N)Br,CHEMBL192145_active,HS90A,Active
COc1cc(c(c(c1OC)OC)Cl)Sc2nc3c(nc(nc3n2CCCC#C)F)N,CHEMBL193282_active,HS90A,Active
CC(=O)OCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL212076_active,HS90A,Active
c1cc2c(c(c1)Cl)sc(n2)Sc3nc4c(ncnc4n3CCCCC#N)N,CHEMBL385927_active,HS90A,Active
C[C@H]1C[C@@H]([C@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL338987_active,HS90A,Active
c1cc2c(c(c1)Cl)sc(n2)Sc3nc4c(ncnc4n3CCNC5CC5)N,CHEMBL215947_active,HS90A,Active
CC(C)NC(=O)c1c(c(n[nH]1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,CHEMBL365700_active,HS90A,Active
CC(=O)OCCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL377631_active,HS90A,Active
CC(C)(C)NCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL384763_active,HS90A,Active
CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3cccc4c3OCCO4,CHEMBL204734_active,HS90A,Active
c1cc2c(c(c1)Cl)sc(n2)Sc3nc4c(ncnc4n3CCN5CCOCC5)N,CHEMBL378338_active,HS90A,Active
CC(=O)OCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL448474_active,HS90A,Active
c1cc2c(c(c1)Cl)sc(n2)Sc3nc4c(ncnc4n3CCCO)N,CHEMBL379544_active,HS90A,Active
c1cc2c(c(c1)Cl)sc(n2)Sc3nc4c(ncnc4n3CCCCO)N,CHEMBL379641_active,HS90A,Active
CC(C)(C)NCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL211528_active,HS90A,Active
Cc1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,CHEMBL371380_active,HS90A,Active
COc1ccc(c(c1)Sc2nc3c(ncnc3n2CCCC#C)N)OC,CHEMBL273986_active,HS90A,Active
CC(C)OCCn1c2c(c(nc(n2)F)N)nc1Sc3cc(c(c(c3Cl)OC)OC)OC,CHEMBL191786_active,HS90A,Active
COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N,CHEMBL112953_active,HS90A,Active
CC(=O)OCCCn1c2c(c(ncn2)N)nc1Sc3nc4cncc(c4s3)Cl,CHEMBL377024_active,HS90A,Active
CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL386780_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL213262_active,HS90A,Active
COc1cc(c(c(c1OC)OC)Cl)Sc2nc3c(ncnc3n2CCCC#C)N,CHEMBL192647_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)OC,CHEMBL386399_active,HS90A,Active
c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br,CHEMBL361078_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)F,CHEMBL213801_active,HS90A,Active
CCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL438613_active,HS90A,Active
C[C@@H]1C[C@@H]([C@H]([C@@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL368483_active,HS90A,Active
COc1ccc(c(c1)Sc2nc3c(ncnc3n2CCCC#C)N)Cl,CHEMBL192062_active,HS90A,Active
Cc1c(c(n[nH]1)c2cc(c(cc2O)O)Cl)c3ccc4c(c3)OCCO4,CHEMBL191074_active,HS90A,Active
CCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL379345_active,HS90A,Active
CC(=O)c1ccc(cc1)NC(=O)c2c[nH]nc2c3cc(c(cc3O)O)Cl,CHEMBL200469_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cncc(c4s3)Cl,CHEMBL377958_active,HS90A,Active
CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3,CHEMBL360563_active,HS90A,Active
CCc1cc(c(cc1O)O)c2c(c([nH]n2)C)c3ccc4c(c3)OCCO4,CHEMBL399530_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)C,CHEMBL386499_active,HS90A,Active
c1cc2c(c(c1)Cl)sc(n2)Sc3nc4c(ncnc4n3CCO)N,CHEMBL209522_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Br,CHEMBL386882_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3nc4cncc(c4s3)Br,CHEMBL377045_active,HS90A,Active
C[C@@H]1Cc2c(c(cc3c2oc(n3)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C)O)NCC=C,CHEMBL377782_active,HS90A,Active
c1cc(ccc1CNC(=O)c2c[nH]nc2c3cc(c(cc3O)O)Cl)S(=O)(=O)N,CHEMBL200255_active,HS90A,Active
c1c2c(cc(c1Sc3nc4c(ncnc4n3CCCc5cn(nn5)CCCO)N)Br)OCO2,CHEMBL1213898_active,HS90A,Active
COc1ccc(cc1)c2c(n[nH]c2C(=O)O)c3cc(c(cc3O)O)Cl,CHEMBL426446_active,HS90A,Active
c1c2c(cc(c1Sc3nc4c(ncnc4n3CCCCc5cn(nn5)CCCO)N)Br)OCO2,CHEMBL1213899_active,HS90A,Active
c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O,CHEMBL200628_active,HS90A,Active
CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3c[nH]nc3c4cc(c(cc4O)O)Br,CHEMBL207307_active,HS90A,Active
c1ccc(cc1)CN2CCN(CC2)c3c[nH]nc3c4cc(c(cc4O)O)Cl,CHEMBL251974_active,HS90A,Active
CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4,CHEMBL178130_active,HS90A,Active
c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O,CHEMBL371915_active,HS90A,Active
CCCCCn1c2c(c(ncn2)N)nc1Sc3nc4cccc(c4s3)Cl,CHEMBL438068_active,HS90A,Active
CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3c[nH]nc3c4cc(c(cc4O)O)Cl,CHEMBL208239_active,HS90A,Active
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCF)/C)OC)OC(=O)N)\C)C)O)OC,CHEMBL421647_active,HS90A,Active
CN1CCN(CC1)c2ccc3c(c2)c(no3)c4cc(c(cc4O)O)Cl,CHEMBL402712_active,HS90A,Active
CCCCn1c2c(c(ncn2)N)nc1Sc3cc(c(c(c3Cl)OC)OC)OC,CHEMBL191268_active,HS90A,Active
COc1cccc(c1)Sc2nc3c(ncnc3n2CCCC#C)N,CHEMBL191241_active,HS90A,Active