fba

Reference Set (126 Compounds)

N#CCC(=O)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000005524182

ZINC000005524182 (search)

C=CCNc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2)n1 ZINC000008670897

ZINC000008670897 (search)

Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1CCc1ccncc1 ZINC000012511333

ZINC000012511333 (search)

Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCCC4)c3nc12 ZINC000100559625

ZINC000100559625 (search)

CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1)OCO3 ZINC000034847925

ZINC000034847925 (search)

Cc1cc(C)c2oc(-c3cccc(N)c3)nc2c1 ZINC000000122977

ZINC000000122977 (search)

CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2cccs2)O3)cc1 ZINC000061897337

ZINC000061897337 (search)

CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccs3)nc21 ZINC000003264911

ZINC000003264911 (search)

Cc1ccc2nc(-c3cccc(N)c3)oc2c1 ZINC000000122957

ZINC000000122957 (search)

Cc1nc2c(cc1N)nc(C)n2Cc1ccccc1 ZINC000012481072

ZINC000012481072 (search)

CCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 ZINC000002403517

ZINC000002403517 (search)

COc1cccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)c1 ZINC000013592615

ZINC000013592615 (search)

CCOc1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000000123082

ZINC000000123082 (search)

COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1OC ZINC000061903452

ZINC000061903452 (search)

Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1 ZINC000002291595

ZINC000002291595 (search)

COc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C(C)C)ccc3n2)cc1 ZINC000003047070

ZINC000003047070 (search)

Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C ZINC000001685092

ZINC000001685092 (search)

CCOC(=O)c1oc2cccc(OC[C@H](O)CNC(C)C)c2c1C ZINC000004008294

ZINC000004008294 (search)

Cc1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)c(NCc3ccccc3)n2c1 ZINC000036382347

ZINC000036382347 (search)

N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000054061436

ZINC000054061436 (search)

Cc1ccc(-n2nc3ccc(N)cc3n2)cc1C ZINC000000361580

ZINC000000361580 (search)

Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)cc(=O)oc12 ZINC000002101677

ZINC000002101677 (search)

COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 ZINC000015016798

ZINC000015016798 (search)

OCc1ccc2c(c1)c(-c1ccc3c(c1)OCCO3)c(-c1ccccc1)n2-c1ccccc1 ZINC000036388882

ZINC000036388882 (search)

Cc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1 ZINC000049557473

ZINC000049557473 (search)

COc1ccc2cc3cc(C(=O)N4CCN(C5CCCCC5)CC4)oc3nc2c1 ZINC000004908386

ZINC000004908386 (search)

CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC ZINC000004162955

ZINC000004162955 (search)

COc1ccc2nc3c(O)n(Cc4ccncc4)cnc-3c2c1 ZINC000101897736

ZINC000101897736 (search)

CN1Cc2c(N3CCOCC3)nc3sc(C#N)c(N)c3c2CC1(C)C ZINC000013142786

ZINC000013142786 (search)

O=C(Nc1nnc(-c2ccncc2)s1)[C@H]1CCCO1 ZINC000001056192

ZINC000001056192 (search)

Cc1cc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000009446931

ZINC000009446931 (search)

CN(C)/C=N/c1nc2nccc(-c3cccc(Cl)c3)n2n1 ZINC000018154068

ZINC000018154068 (search)

COc1ccc2nc(C)cc(C(=O)O)c2c1 ZINC000000072646

ZINC000000072646 (search)

CC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 ZINC000012868715

ZINC000012868715 (search)

COCCC/N=C(/S)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3 ZINC000018163391

ZINC000018163391 (search)

N#Cc1c(-c2ccc(Br)cc2)cc(-c2cccnc2)nc1N ZINC000020289507

ZINC000020289507 (search)

CCC[C@@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 ZINC000012781055

ZINC000012781055 (search)

CCOC(=O)c1cnc2ccc(C)cn2c1=O ZINC000001583649

ZINC000001583649 (search)

Cc1cc(OCC(=O)NC[C@H](O)c2ccccc2)c2c(C)cc(=O)oc2c1 ZINC000006660057

ZINC000006660057 (search)

CC(C)C[C@@H](C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)N1C(=O)c2ccccc2C1=O ZINC000000943438

ZINC000000943438 (search)

COc1ccc2c(c1)cc(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)n2C ZINC000008790230

ZINC000008790230 (search)

Cc1cc(O[C@H](C)C(=O)NCCCN2CCOCC2)c2c(C)cc(=O)oc2c1 ZINC000020548185

ZINC000020548185 (search)

CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000013138752

ZINC000013138752 (search)

O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccco1 ZINC000002961306

ZINC000002961306 (search)

Cc1cc(=O)oc2cc(OCCc3ccccc3)ccc12 ZINC000000407802

ZINC000000407802 (search)

COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)O)n2)cc1 ZINC000000722084

ZINC000000722084 (search)

Cc1nnsc1-c1nc2ccccc2[nH]1 ZINC000011535685

ZINC000011535685 (search)

Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1 ZINC000000615752

ZINC000000615752 (search)

COc1ccc2nc3c(O)n4c(nc-3c2c1)SCC4 ZINC000101893449

ZINC000101893449 (search)

N#Cc1c(-c2ccco2)cc(C2CC2)nc1N ZINC000019708503

ZINC000019708503 (search)

Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCN3CCCC3=O)c(C)c12 ZINC000004090071

ZINC000004090071 (search)

Cc1ccc(Nc2nnc(-c3ccccc3N)o2)cc1C ZINC000000100499

ZINC000000100499 (search)

C(=C/c1ccc2nncn2c1)\c1ccccc1 ZINC000061926653

ZINC000061926653 (search)

Cc1cc(C)nc(SCc2nc3ncccn3c2Br)n1 ZINC000012523634

ZINC000012523634 (search)

Cn1c(-c2cccs2)nc2ccccc21 ZINC000000522789

ZINC000000522789 (search)

Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)C ZINC000000068405

ZINC000000068405 (search)

C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCCCN1CCOCC1 ZINC000020548031

ZINC000020548031 (search)

CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000009452584

ZINC000009452584 (search)

COc1ccc2oc(=O)c(C(=O)NCc3ccccn3)cc2c1 ZINC000000802745

ZINC000000802745 (search)

Nc1ncc2c(n1)-c1ccccc1CC2 ZINC000000167822

ZINC000000167822 (search)

Cn1c(/C=N/n2cnnc2)nc2ccccc21 ZINC000000439620

ZINC000000439620 (search)

CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000000259663

ZINC000000259663 (search)

COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O ZINC000001131507

ZINC000001131507 (search)

O=C1CCC(=O)c2ccc3c4c(ccc1c24)CC3 ZINC000001679113

ZINC000001679113 (search)

Nc1nnc(/C=C/c2ccccc2Cl)s1 ZINC000004499428

ZINC000004499428 (search)

CC(C)(CNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCOCC1 ZINC000023078400

ZINC000023078400 (search)

CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 ZINC000000324447

ZINC000000324447 (search)

CCOc1c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2nn1CC ZINC000008670351

ZINC000008670351 (search)

CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12 ZINC000004062933

ZINC000004062933 (search)

COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 ZINC000000781140

ZINC000000781140 (search)

CCOC(=O)c1c(NC(=O)c2ccco2)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000002277549

ZINC000002277549 (search)

CNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1 ZINC000061926443

ZINC000061926443 (search)

CN1CCN(C(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)CC1 ZINC000061904642

ZINC000061904642 (search)

CC(=O)NCCNC(=O)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061928804

ZINC000061928804 (search)

COc1ccc2nc(NCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C#N)cc2c1 ZINC000020151440

ZINC000020151440 (search)

Cc1ccc(-c2cc(-c3ccc(C)cc3)[n+](-c3ccc(C(=O)O)cc3)c(-c3ccc(C)cc3)c2)cc1 ZINC000015770666

ZINC000015770666 (search)

COc1ccc(-c2nnc3oc(O)cc(C)c2-3)cc1 ZINC000101727346

ZINC000101727346 (search)

COc1ccc2nc(N/C(N)=N/C(=O)C(C)(C)C)nc(C)c2c1 ZINC000013115779

ZINC000013115779 (search)

COC(=O)Nc1nnc(-c2ccccc2OC)s1 ZINC000017208315

ZINC000017208315 (search)

Cc1nn(C)cc1-c1cc(C(=O)O)c2ccccc2n1 ZINC000002537760

ZINC000002537760 (search)

CCn1nc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc2c1OC ZINC000008762952

ZINC000008762952 (search)

COC1=Nc2ccccc2N2CCN=C12 ZINC000031778230

ZINC000031778230 (search)

CNC(=O)c1cc2cc(OC)ccc2oc1=O ZINC000002871972

ZINC000002871972 (search)

CNc1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1 ZINC000061907749

ZINC000061907749 (search)

COc1ccc(OC)c2c1C(=O)C[C@@H]2C ZINC000001743642

ZINC000001743642 (search)

COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c4c(cccc24)CC3)C1=O ZINC000005060635

ZINC000005060635 (search)

N#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O ZINC000008656617

ZINC000008656617 (search)

CC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000020103717

ZINC000020103717 (search)

Cc1nc2oc3c(=O)[nH]cnc3c2c2c1COC(C)(C)C2 ZINC000009165183

ZINC000009165183 (search)

O=C(NC1CCCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000006661186

ZINC000006661186 (search)

O=C1NC(=O)c2cc(NC(=O)[C@H]3CCCO3)ccc21 ZINC000000613915

ZINC000000613915 (search)

CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)o3)ccc12 ZINC000000318706

ZINC000000318706 (search)

CCCCNC(=S)N(CCN(CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006149753

ZINC000006149753 (search)

COc1ccc2c(CN3CCCC3)cc(=O)oc2c1 ZINC000016445158

ZINC000016445158 (search)

C[C@]1(C(=O)Nc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061928755

ZINC000061928755 (search)

Cc1cc(=O)oc2cc(OCC(=O)N3CCCC3)ccc12 ZINC000003257939

ZINC000003257939 (search)

CCS(=O)(=O)Nc1ccccc1C(N)=O ZINC000006858491

ZINC000006858491 (search)

CCOc1ccc2oc(C(=O)OCC(=O)NC3CCCC3)c(C)c2c1 ZINC000003443263

ZINC000003443263 (search)

O=C(NCc1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000007667407

ZINC000007667407 (search)

CCOC(=O)N1CCc2cc(OC)c(OC)c3c2c1cc1cc(OC)c(OC)cc13 ZINC000001727151

ZINC000001727151 (search)

O=c1oc2ccccc2cc1-c1ccccc1 ZINC000000057995

ZINC000000057995 (search)

CN(C)c1nc(OCc2ccccc2)c2ncc(=O)[nH]c2n1 ZINC000000339492

ZINC000000339492 (search)

Cc1cc(-c2nc3ccccc3o2)c2ccccc2n1 ZINC000000127679

ZINC000000127679 (search)

Cn1cccc1-c1nc2ccccc2n1C ZINC000000350176

ZINC000000350176 (search)

CCOc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1 ZINC000006963284

ZINC000006963284 (search)

Oc1ccc(CN2CCCCC2)nc1-c1ccccc1 ZINC000000353965

ZINC000000353965 (search)

CCc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O ZINC000101770321

ZINC000101770321 (search)

CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccn1 ZINC000000217230

ZINC000000217230 (search)

CN1CCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000025515257

ZINC000025515257 (search)

N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 ZINC000100613220

ZINC000100613220 (search)

Cc1c(C)c2cc(Cl)c(OCC(=O)NCCCN3CCCC3=O)cc2oc1=O ZINC000006659812

ZINC000006659812 (search)

CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000000444454

ZINC000000444454 (search)

O=C(Nc1ccon1)c1cnc2sccn2c1=O ZINC000004121099

ZINC000004121099 (search)

Nc1nc2n(n1)[C@H](c1cccs1)C[C@H](c1ccc(Br)cc1)N2 ZINC000013127516

ZINC000013127516 (search)

COc1ccc2oc(=N)c(-c3nnc4n3CCCCC4)cc2c1 ZINC000004949131

ZINC000004949131 (search)

CC(=O)N1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc21 ZINC000001744814

ZINC000001744814 (search)

CC1=CC2=NC[C@H](O)CN2C=C1 ZINC000100612857

ZINC000100612857 (search)

COc1cc2c(cc1NC(=S)Nc1cccc(C)c1)oc1ccccc12 ZINC000013479183

ZINC000013479183 (search)

Cc1ccc2c(C)cc[n+](CCCS(=O)(=O)O)c2c1 ZINC000005018040

ZINC000005018040 (search)

COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000002205805

ZINC000002205805 (search)

Cc1cccc(C)c1NC(=S)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008687301

ZINC000008687301 (search)

N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc(SCC(=O)O)cc12 ZINC000003326524

ZINC000003326524 (search)

O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc4ccccc34)o2)cc1 ZINC000100507498

ZINC000100507498 (search)

O=C(COP(=O)(O)O)N(O)CCCCOP(=O)(O)O ZINC000058638510

ZINC000058638510 (search)

O=C(COP(=O)(O)O)N(O)CCCOP(=O)(O)O ZINC000058638417

ZINC000058638417 (search)

O=C(COP(=O)(O)O)N(O)CCCO ZINC000064437140

ZINC000064437140 (search)