RCE1

Reference Set (90 Compounds)

CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013634990

ZINC000013634990 (search)

Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)c1C ZINC000006893583

ZINC000006893583 (search)

O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1F ZINC000003902725

ZINC000003902725 (search)

Cc1c(C)c2c(OCC(=O)NCc3ccncc3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000004000468

ZINC000004000468 (search)

CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccs1 ZINC000000203672

ZINC000000203672 (search)

Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000008666138

ZINC000008666138 (search)

COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12 ZINC000002389592

ZINC000002389592 (search)

COC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(-c3ccc(OC)nc3)cc12 ZINC000015934069

ZINC000015934069 (search)

Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC(C(=O)O)CC4)c12)OC(C)(C)CC3 ZINC000008877514

ZINC000008877514 (search)

Fc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1 ZINC000001341382

ZINC000001341382 (search)

O=S(=O)(O)c1cc2oc(-c3ccccc3)nc2c2ccccc12 ZINC000005516877

ZINC000005516877 (search)

COc1ccc(-c2cc3ccc(OCc4nn[nH]n4)cc3oc2=O)cc1OC ZINC000004283264

ZINC000004283264 (search)

Cc1cc(NC(=O)COC(=O)c2nccnc2N)n(-c2ccccc2)n1 ZINC000010141348

ZINC000010141348 (search)

COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1cccc(O)c1 ZINC000001069858

ZINC000001069858 (search)

Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000005593688

ZINC000005593688 (search)

CN(C)c1ccc(/C=N/NC(=O)[C@H](O)c2ccc(Br)cc2)cc1 ZINC000001021106

ZINC000001021106 (search)

Nc1ccc(Cc2ccc(N)c(C(=O)O)c2)cc1C(=O)O ZINC000000347039

ZINC000000347039 (search)

COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002412396

ZINC000002412396 (search)

CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)cc1 ZINC000004036189

ZINC000004036189 (search)

COc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O ZINC000020412379

ZINC000020412379 (search)

CCN(CC)CCNc1ncnc2c3ccccc3n(C)c12 ZINC000005516422

ZINC000005516422 (search)

COC(=O)c1sc2cnccc2c1N ZINC000004001898

ZINC000004001898 (search)

CN(c1ccccc1)c1ccc(/C=N/NC(=O)CC#N)cc1 ZINC000000354578

ZINC000000354578 (search)

CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000000521432

ZINC000000521432 (search)

C[C@]1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)CC(=O)N=C2C=CC=CN21 ZINC000004967416

ZINC000004967416 (search)

COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@@+]2(C)[O-])cc1O ZINC000255221282

ZINC000255221282 (search)

COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c(C(=O)O)c1OC ZINC000002883634

ZINC000002883634 (search)

C[C@]1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccco2)CC(=O)N=C2C=CC=CN21 ZINC000004409815

ZINC000004409815 (search)

COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2OC)cc1 ZINC000004869618

ZINC000004869618 (search)

COc1ccc(-c2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 ZINC000019682137

ZINC000019682137 (search)

Cc1cc(C)cc(Nc2ccc(C(=O)O)cc2N)c1 ZINC000000266530

ZINC000000266530 (search)

COc1cc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc(OC)c1OC ZINC000002417051

ZINC000002417051 (search)

c1coc(-c2ccnc3ncnn23)c1 ZINC000001389323

ZINC000001389323 (search)

CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1 ZINC000002620729

ZINC000002620729 (search)

CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 ZINC000020101476

ZINC000020101476 (search)

COc1ccccc1CNC(=O)c1ccccc1N ZINC000002871900

ZINC000002871900 (search)

COc1ccc(Cn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002398095

ZINC000002398095 (search)

COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 ZINC000013116066

ZINC000013116066 (search)

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1 ZINC000003314777

ZINC000003314777 (search)

COc1ccc2c(c1)c1ncn(CCN3CCCCC3)c(=O)c1n2C ZINC000002331153

ZINC000002331153 (search)

Nc1cccc2nc3ccccc3cc12 ZINC000005011167

ZINC000005011167 (search)

CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1 ZINC000001880823

ZINC000001880823 (search)

O=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 ZINC000002491410

ZINC000002491410 (search)

O=C(O)c1ccc(N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000005487668

ZINC000005487668 (search)

CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4OC)coc23)CC1 ZINC000019790397

ZINC000019790397 (search)

CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1 ZINC000002067510

ZINC000002067510 (search)

O=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000012475031

ZINC000012475031 (search)

CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 ZINC000006267373

ZINC000006267373 (search)

CN(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O ZINC000004006372

ZINC000004006372 (search)

Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000021540318

ZINC000021540318 (search)

C=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O ZINC000002572274

ZINC000002572274 (search)

C[n+]1ccc(-c2ccccc2)c2ccccc21 ZINC000005377882

ZINC000005377882 (search)

O=C(O)c1ccccc1NCCO ZINC000003246492

ZINC000003246492 (search)

COC(=O)Nc1nnc(-c2ccncc2)s1 ZINC000001056464

ZINC000001056464 (search)

Nc1ccccc1Oc1ccc2ccccc2c1 ZINC000003033060

ZINC000003033060 (search)

CCNc1nc(C)c(CN(C(C)=O)c2ccccc2)nc1C#N ZINC000000387538

ZINC000000387538 (search)

COc1cccc(Nc2nc(C)nc3c2oc2ccccc23)c1 ZINC000005185314

ZINC000005185314 (search)

CC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 ZINC000000426904

ZINC000000426904 (search)

COc1cc2c(cc1OC)C(CCc1ccccc1)=NCC2 ZINC000004956068

ZINC000004956068 (search)

CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)N(C)C)cc12 ZINC000002208447

ZINC000002208447 (search)

Oc1ccc(-c2nc3ccccn3c2NCc2ccco2)cc1 ZINC000000413678

ZINC000000413678 (search)

Cc1nc(N2CCCC[C@H]2C)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 ZINC000002924386

ZINC000002924386 (search)

COc1cc(-c2nc3ccccn3c2NC[C@H]2CCCO2)ccc1O ZINC000000904086

ZINC000000904086 (search)

C=CCn1cc(-c2ccccc2)cc(C#N)c1=O ZINC000003133099

ZINC000003133099 (search)

NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 ZINC000004117695

ZINC000004117695 (search)

COc1ccc(/C=C/c2nc3ccccc3n2C)cc1 ZINC000004003570

ZINC000004003570 (search)

CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1 ZINC000020827830

ZINC000020827830 (search)

CN1C[C@@H](C(=O)O)Cc2c1ccc1ccccc21 ZINC000002435355

ZINC000002435355 (search)

CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3C(C)(C)CC)cc2c1 ZINC000020081858

ZINC000020081858 (search)

CCCCC[n+]1cccc2c3ccccc3ccc21 ZINC000003158071

ZINC000003158071 (search)

CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000000839407

ZINC000000839407 (search)

COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc2ccccc12 ZINC000019799446

ZINC000019799446 (search)

Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc12 ZINC000000478482

ZINC000000478482 (search)

N#CC(C#N)=C1NC(N)=C(C#N)C(c2ccccc2)=C1C#N ZINC000000494354

ZINC000000494354 (search)

OCCCNc1ncnc2sc(-c3ccccc3)cc12 ZINC000001927607

ZINC000001927607 (search)

CCOC(=O)c1nc2cc3n(c(C)c-2c1C)[C@@H](C)C(CC)=C3C ZINC000001031684

ZINC000001031684 (search)

Cc1cc(C)n2cc(CSC3=NCCS3)nc2n1 ZINC000003235506

ZINC000003235506 (search)

COc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(C=O)cc2)cc1 ZINC000005091791

ZINC000005091791 (search)

C[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003324166

ZINC000003324166 (search)

COc1cc(NC(=O)Nc2ccccc2)c(C(=O)O)cc1OC ZINC000000441407

ZINC000000441407 (search)

Cc1cc(Br)ccc1NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12 ZINC000027534633

ZINC000027534633 (search)

CC(C)OCCCNC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 ZINC000002418142

ZINC000002418142 (search)

COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000003660350

ZINC000003660350 (search)

CC1CCN(c2oc(-c3ccc(F)cc3)nc2C#N)CC1 ZINC000000065766

ZINC000000065766 (search)

c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1 ZINC000000039389

ZINC000000039389 (search)

CCn1nnnc1SCC(=O)Nc1nc(C)c(C)s1 ZINC000000410547

ZINC000000410547 (search)

CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccn1)C1=C(O)CC(C)(C)CC1=N2 ZINC000100638189

ZINC000100638189 (search)

COc1cc2nc3c(O)n(CCN4CCOCC4)cnc-3c2cc1OC ZINC000101760548

ZINC000101760548 (search)

Cc1cccc(NS(=O)(=O)c2cccc(NC(=O)CCNC(=O)/C=C/c3ccc(-c4ccccc4)cc3)c2)c1C ZINC000027429000

ZINC000027429000 (search)

CCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000036330340

ZINC000036330340 (search)