ALPG

Reference Set (104 Compounds)

Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000000111949

ZINC000000111949 (search)

O=C(Cn1ccnc1)c1ccc(O)c(O)c1 ZINC000013209838

ZINC000013209838 (search)

CCc1nccn1CC(=O)c1ccc(O)c(O)c1 ZINC000045389565

ZINC000045389565 (search)

O=C(Cn1cnc2ccccc21)c1ccc(O)c(O)c1 ZINC000045387849

ZINC000045387849 (search)

O=C(CNc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1 ZINC000045366638

ZINC000045366638 (search)

Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1 ZINC000036389231

ZINC000036389231 (search)

Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1 ZINC000001397695

ZINC000001397695 (search)

$O=C1Nc2ccccc2/C1=C\NCCc1ccc(O)c(O)c1 ZINC000013756545$

ZINC000013756545 (search)

O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 ZINC000008611495

ZINC000008611495 (search)

O=C1Nc2ccc(Br)cc2[C@]12NNc1ccccc1O2 ZINC000003416064

ZINC000003416064 (search)

C=CCn1c(O)c(N=Nc2ccccc2O)c2ccccc21 ZINC000253986279

ZINC000253986279 (search)

C=CCN1C(=O)[C@@]2(NNc3ccccc3O2)c2ccccc21 ZINC000003416068

ZINC000003416068 (search)

O=c1c2[nH]c3ccc(F)cc3c2ncn1CCc1ccc(O)c(O)c1 ZINC000000524437

ZINC000000524437 (search)

$Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 ZINC000001180665$

ZINC000001180665 (search)

COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000001437546

ZINC000001437546 (search)

CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1 ZINC000002639234

ZINC000002639234 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC ZINC000001276364

ZINC000001276364 (search)

Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000000121780

ZINC000000121780 (search)

Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000000545196

ZINC000000545196 (search)

NC(=O)c1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000002413037

ZINC000002413037 (search)

COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(O)c(O)c1 ZINC000000118483

ZINC000000118483 (search)

CC1(C)Cc2c(sc3nc4n(c(=N)c23)CCCCC4)CO1 ZINC000100452697

ZINC000100452697 (search)

O=C(CSc1nnnn1-c1ccc(F)cc1)c1ccc(O)c(O)c1 ZINC000000107786

ZINC000000107786 (search)

CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1O ZINC000096835588

ZINC000096835588 (search)

c1ccc(CSCCc2ccncc2)cc1 ZINC000017433311

ZINC000017433311 (search)

O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1n[nH]c(Cc2ccccc2)n1 ZINC000004195769

ZINC000004195769 (search)

c1ccc(-n2ncc3c2ncn2cnnc32)cc1 ZINC000000540463

ZINC000000540463 (search)

Cc1cnn(CC(=O)c2ccc(O)c(O)c2)c1 ZINC000045393491

ZINC000045393491 (search)

COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N ZINC000000085612

ZINC000000085612 (search)

$O=S(=O)(c1ccc(N/C(S)=N\N=C\c2ccc(O)c(O)c2)cc1)N1CCOCC1 ZINC000013597888$

ZINC000013597888 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 ZINC000001298352

ZINC000001298352 (search)

O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1 ZINC000002466736

ZINC000002466736 (search)

O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c(O)c12 ZINC000015449241

ZINC000015449241 (search)

Cc1cc2nc(C3CCN(Cc4nnnn4Cc4cccs4)CC3)[nH]c2cc1C ZINC000004355427

ZINC000004355427 (search)

CNc1nnc(-c2cc3ccccc3oc2=O)s1 ZINC000000424286

ZINC000000424286 (search)

Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000004002700

ZINC000004002700 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccnc1 ZINC000001275845

ZINC000001275845 (search)

O=C(CSc1nc2ccccc2o1)c1ccc(O)c(O)c1 ZINC000005628740

ZINC000005628740 (search)

CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O ZINC000002965380

ZINC000002965380 (search)

CCc1n[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000000285712

ZINC000000285712 (search)

Cc1ccc(NC(=O)c2sccc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000001393150

ZINC000001393150 (search)

Cc1ccc2oc(N)c(C=O)c(=O)c2c1 ZINC000001390924

ZINC000001390924 (search)

O=C(CSc1nc2ccccc2s1)c1ccc(O)c(O)c1 ZINC000005629194

ZINC000005629194 (search)

O=C(CCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O)NC[C@@H]1CCCO1 ZINC000004101526

ZINC000004101526 (search)

O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc(-c2ccccc2)n[nH]1 ZINC000018030427

ZINC000018030427 (search)

$N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccccc1 ZINC000000621364$

ZINC000000621364 (search)

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 ZINC000001273444

ZINC000001273444 (search)

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC ZINC000001279413

ZINC000001279413 (search)

Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 ZINC000000366897

ZINC000000366897 (search)

O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1 ZINC000000009853

ZINC000000009853 (search)

O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCC2(CC1)OCCO2 ZINC000001098086

ZINC000001098086 (search)

O=C(CN1CCCc2ccccc21)c1ccc(O)c(O)c1 ZINC000037333153

ZINC000037333153 (search)

Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1 ZINC000005100673

ZINC000005100673 (search)

Cc1nc(Br)cn1CC(=O)c1ccc(O)c(O)c1 ZINC000045356780

ZINC000045356780 (search)

$CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1 ZINC000013479197$

ZINC000013479197 (search)

O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000001029047

ZINC000001029047 (search)

Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2Cc2ccco2)cc1 ZINC000009358053

ZINC000009358053 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(OC)c1 ZINC000001287873

ZINC000001287873 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(C)c1 ZINC000001274522

ZINC000001274522 (search)

$N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1 ZINC000003871438$

ZINC000003871438 (search)

Cc1cc(NCC(=O)c2ccc(O)c(O)c2)[nH]n1 ZINC000059064080

ZINC000059064080 (search)

O=C(N/N=C/c1ccc(O)cc1O)C(=O)N/N=C/c1ccc(O)cc1O ZINC000001684672

ZINC000001684672 (search)

Clc1ccc(CSCCc2ccncc2)cc1 ZINC000002810254

ZINC000002810254 (search)

Cc1cn(CC(=O)c2ccc(O)c(O)c2)cn1 ZINC000045364899

ZINC000045364899 (search)

Cc1cc2ncn(CC(=O)c3ccc(O)c(O)c3)c2cc1C ZINC000045372237

ZINC000045372237 (search)

COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000001276363

ZINC000001276363 (search)

O=C(NC1CCCCC1)Oc1cc2oc(=O)sc2cc1Cl ZINC000000062338

ZINC000000062338 (search)

COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1 ZINC000002876279

ZINC000002876279 (search)

CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O ZINC000000041298

ZINC000000041298 (search)

O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)O1 ZINC000061959137

ZINC000061959137 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(Cl)c1 ZINC000001270317

ZINC000001270317 (search)

O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000002375364

ZINC000002375364 (search)

COCCNC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725381

ZINC000002725381 (search)

Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2ncn[nH]2)c1 ZINC000005447759

ZINC000005447759 (search)

O=C(CSc1nc(-c2ccncc2)n[nH]1)c1ccc(O)c(O)c1 ZINC000000285776

ZINC000000285776 (search)

COc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccccc2)cc1 ZINC000001275236

ZINC000001275236 (search)

C[C@@H]1CCCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013140236

ZINC000013140236 (search)

$N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc2ncccc12 ZINC000007985536$

ZINC000007985536 (search)

Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000013482975

ZINC000013482975 (search)

O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1n[nH]c(-c2ccccc2)n1 ZINC000100452880

ZINC000100452880 (search)

CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000009302700

ZINC000009302700 (search)

$COc1cccc(/C=N\NC(=O)C2=NNC(=O)[C@@H]2C)c1O ZINC000100371499$

ZINC000100371499 (search)

N#C[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000166282

ZINC000000166282 (search)

Cn1c(NCC(=O)c2ccc(O)c(O)c2)nc2ccccc21 ZINC000059064082

ZINC000059064082 (search)

Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)o1 ZINC000004928005

ZINC000004928005 (search)

O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(O)c(O)c1 ZINC000005636997

ZINC000005636997 (search)

O=P(O)(O)c1ccccc1OCc1ccccc1 ZINC000001870285

ZINC000001870285 (search)

COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 ZINC000019861870

ZINC000019861870 (search)

COC(=O)C/C=N/NC1=NC(=O)/C(=C/C(=O)O)S1 ZINC000004807190

ZINC000004807190 (search)

CC(C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000001447046

ZINC000001447046 (search)

O=C(NCc1cccnc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000000646286

ZINC000000646286 (search)

Cn1ccnc1SCC(=O)c1ccc(O)c(O)c1 ZINC000000191655

ZINC000000191655 (search)

C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1 ZINC000001260717

ZINC000001260717 (search)

O=C1Nc2ccccc2/C1=N/N=C/c1ccc(O)c(O)c1 ZINC000013638060

ZINC000013638060 (search)

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 ZINC000001269737

ZINC000001269737 (search)

Cc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2n1 ZINC000008572927

ZINC000008572927 (search)

Cc1ccc(-n2c(C=O)c(-[n+]3ccccc3)[nH]c2=O)cc1 ZINC000013121872

ZINC000013121872 (search)

Cc1cccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)c1 ZINC000007393216

ZINC000007393216 (search)

Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 ZINC000001273972

ZINC000001273972 (search)

O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc(O)c(O)c1 ZINC000017889531

ZINC000017889531 (search)

O=Nc1[nH]c(=O)c(CC(=O)c2ccccc2)nc1NO ZINC000101778199

ZINC000101778199 (search)

CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001514292

ZINC000001514292 (search)

CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000002137023

ZINC000002137023 (search)

N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 ZINC000005215476

ZINC000005215476 (search)