NOTUM

Reference Set (70 Compounds)

Cc1cc(F)c2c(c1F)-c1sc(C(=O)O)cc1CC2 ZINC000653714147

ZINC000653714147 (search)

NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000048391193

ZINC000048391193 (search)

O=C(O)CSc1ncnc2c(C3CC3)c(C(F)(F)F)sc12 ZINC000113839021

ZINC000113839021 (search)

O=C1[C@H]2CN(Cc3ccc(Cl)cc3)CCN2C(=O)N1OC(=O)N1CCOc2ccccc21 ZINC001848350701

ZINC001848350701 (search)

NC(=O)c1cc2c(s1)-c1ccccc1OCC2 ZINC000114980068

ZINC000114980068 (search)

CC1(C)Cc2cc(C(N)=O)sc2-c2ccccc21 ZINC000588632465

ZINC000588632465 (search)

C[C@@H]1Cc2cc(C(N)=O)sc2-c2ccccc21 ZINC000653690484

ZINC000653690484 (search)

NC(=O)c1cc2c(s1)-c1ccccc1CCC2 ZINC000653700878

ZINC000653700878 (search)

O=C(O)c1cc2c(s1)-c1cc(F)cc(F)c1SC2 ZINC000147781900

ZINC000147781900 (search)

O=C(O)c1cc2c(s1)-c1cc(F)c(F)c(F)c1SC2 ZINC000653690493

ZINC000653690493 (search)

O=C(O)CSc1ncnc2c(C3CC3)c(Cl)sc12 ZINC000113835581

ZINC000113835581 (search)

O=C(O)c1cc2c(s1)-c1ccc(Cl)c(Cl)c1CC2 ZINC000653707463

ZINC000653707463 (search)

Cc1cc(F)c2c(c1)-c1sc(C(=O)O)cc1CC2 ZINC000653707460

ZINC000653707460 (search)

O=C(O)c1cc2c(s1)-c1cc(F)cc(Cl)c1CC2 ZINC000653695774

ZINC000653695774 (search)

COc1ccc2c(c1Cl)CCc1cc(C(=O)O)sc1-2 ZINC000653707403

ZINC000653707403 (search)

O=C(O)c1cc2c(s1)-c1cc(Cl)cc(Cl)c1CC2 ZINC000653707442

ZINC000653707442 (search)

O=C(O)c1cc2c(s1)-c1cc(F)cc(Cl)c1OC2 ZINC000653705321

ZINC000653705321 (search)

Cc1cc(F)c2c(c1)-c1sc(C(=O)O)cc1CO2 ZINC000653707410

ZINC000653707410 (search)

Cc1cc(Cl)c2c(c1)-c1sc(C(=O)O)cc1CC2 ZINC000653692091

ZINC000653692091 (search)

C[C@@H]1Cc2ccccc2-c2sc(C(N)=O)cc21 ZINC000653700785

ZINC000653700785 (search)

O=C(O)c1cc2c(s1)-c1ccc(Cl)c(Cl)c1OC2 ZINC000220842420

ZINC000220842420 (search)

O=C(O)c1cc2c(s1)-c1cc(F)c(Cl)cc1OC2 ZINC000653716002

ZINC000653716002 (search)

O=C(O)c1cc2c(s1)-c1cc(Cl)cc(F)c1OC2 ZINC000147847671

ZINC000147847671 (search)

O=C(O)c1cc2c(s1)-c1ccc(F)c(F)c1CC2 ZINC000147815936

ZINC000147815936 (search)

Cc1ccc2c(c1C#N)CCc1cc(C(=O)O)sc1-2 ZINC000653707421

ZINC000653707421 (search)

O=C(O)c1cc2c(s1)-c1c(cc(F)c(F)c1F)OC2 ZINC000584640075

ZINC000584640075 (search)

N#Cc1c(F)ccc2c1CCc1cc(C(=O)O)sc1-2 ZINC000653707435

ZINC000653707435 (search)

O=C(O)c1cc2c(s1)-c1ccc(F)c(Cl)c1CC2 ZINC000653697839

ZINC000653697839 (search)

N#Cc1cc(F)cc2c1OCc1cc(C(=O)O)sc1-2 ZINC000653714208

ZINC000653714208 (search)

O=C(O)c1cc2c(s1)-c1c(F)ccc(F)c1SC2 ZINC000147986530

ZINC000147986530 (search)

N#Cc1cccc2c1CCc1cc(C(=O)O)sc1-2 ZINC000653690482

ZINC000653690482 (search)

COc1ccc2c(c1C#N)CCc1cc(C(=O)O)sc1-2 ZINC000653700778

ZINC000653700778 (search)

CCCc1sc2ncnc(SCC(=O)O)c2c1Cl ZINC000653724989

ZINC000653724989 (search)

Cc1sc2ncnc(SCC(=O)O)c2c1Cl ZINC000113833043

ZINC000113833043 (search)

Cc1sc2c(SCC(=O)O)ncnc2c1C1CC1 ZINC000113833105

ZINC000113833105 (search)

O=C(O)c1cc2c(s1)-c1ccc(F)c(Cl)c1OC2 ZINC000653714157

ZINC000653714157 (search)

O=C(O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000032916854

ZINC000032916854 (search)

Cc1c(Br)sc2ncnc(SCC(=O)O)c12 ZINC000113835528

ZINC000113835528 (search)

O=C(O)c1cc2c(s1)-c1cccc(F)c1SC2 ZINC000206056668

ZINC000206056668 (search)

Cc1sc2ncnc(SCC(=O)c3c[nH]c(CNS(=O)(=O)C4CC4)c3)c2c1C ZINC000653730502

ZINC000653730502 (search)

O=C(O)c1cc2c(s1)-c1cc(Cl)cc(Cl)c1OC2 ZINC000584639482

ZINC000584639482 (search)

O=C(O)c1cc2c(s1)-c1cccc(F)c1S(=O)(=O)C2 ZINC000653690542

ZINC000653690542 (search)

O=C(O)c1cc2c(s1)-c1cc(F)ccc1SC2 ZINC000003887715

ZINC000003887715 (search)

Cc1sc2ncnc(SCC(=O)O)c2c1Br ZINC000653735666

ZINC000653735666 (search)

Cc1sc2ncnc(SCC(=O)c3ccc(CNC(=O)C(C)C)o3)c2c1C ZINC000653730858

ZINC000653730858 (search)

Cc1sc2ncnc(SCC(=O)c3ccc(CNC(=O)C4CC4)o3)c2c1C ZINC000653730597

ZINC000653730597 (search)

O=C(O)CSc1ncnc2sc(C3CC3)c(Cl)c12 ZINC000653725042

ZINC000653725042 (search)

O=C(O)c1cc2c(s1)-c1cc(Cl)ccc1OC2 ZINC000044199379

ZINC000044199379 (search)

Cc1sc2ncnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2c1C ZINC000024511022

ZINC000024511022 (search)

CCc1sc2ncnc(SCC(=O)O)c2c1Cl ZINC000653725074

ZINC000653725074 (search)

Cc1sc2ncnc(SCC(=O)NC#N)c2c1C ZINC000653739002

ZINC000653739002 (search)

Cc1c(Br)sc2c(SCC(=O)O)ncnc12 ZINC000653720460

ZINC000653720460 (search)

Cc1c(Cl)sc2c(SCC(=O)O)ncnc12 ZINC000113839750

ZINC000113839750 (search)

COC(=O)CSc1ncnc2sc(C)c(C)c12 ZINC000000132268

ZINC000000132268 (search)

O=C(O)c1cc2c(s1)-c1ccccc1SC2 ZINC000032919133

ZINC000032919133 (search)

CC(C)c1sc2ncnc(SCC(=O)O)c2c1Cl ZINC000113835348

ZINC000113835348 (search)

Cc1sc2ncnc(SCC(=O)NO)c2c1C ZINC000653739016

ZINC000653739016 (search)

Cc1sc2ncnc(SCC(=O)O)c2c1C ZINC000000113970

ZINC000000113970 (search)

O=C(O)c1cc2c(s1)-c1cc(F)ccc1OC2 ZINC000049453277

ZINC000049453277 (search)

CNC(=O)CSc1ncnc2sc(C)c(C)c12 ZINC000000418961

ZINC000000418961 (search)

CCc1sc2ncnc(SCC(=O)O)c2c1C ZINC000653730833

ZINC000653730833 (search)

Cc1sc2ncnc(SCC(N)=O)c2c1C ZINC000000098998

ZINC000000098998 (search)

Cc1sc2c(SCC(=O)O)ncnc2c1C ZINC000584621884

ZINC000584621884 (search)

Cc1c(Cl)sc2ncnc(SCC(=O)O)c12 ZINC000653729597

ZINC000653729597 (search)

O=C(O)c1cc2c(s1)-c1ccccc1CC2 ZINC000000069806

ZINC000000069806 (search)

Cc1sc2ncnc(SCC(=O)NS(C)(=O)=O)c2c1C ZINC000042278981

ZINC000042278981 (search)

O=C(O)c1cc2c(s1)-c1c(F)cccc1OC2 ZINC000584640594

ZINC000584640594 (search)

Cc1sc2c(SCC(=O)O)ncnc2c1Cl ZINC000653728029

ZINC000653728029 (search)

O=C(O)c1cc2c(s1)-c1ccccc1[S@@+]([O-])C2 ZINC000584636279

ZINC000584636279 (search)

O=C(O)c1cc2c(s1)-c1ccccc1OC2 ZINC000002650671

ZINC000002650671 (search)