pos-1

Reference Set (77 Compounds)

Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC000009391669

ZINC000009391669 (search)

COc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(C)c4ccccc34)C2=O)cc1 ZINC000001406624

ZINC000001406624 (search)

CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)n1-c1ccc(F)cc1 ZINC000003286211

ZINC000003286211 (search)

CCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1 ZINC000015952299

ZINC000015952299 (search)

Cc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)O)n[nH]1 ZINC000009350922

ZINC000009350922 (search)

Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1 ZINC000017440261

ZINC000017440261 (search)

CC(=O)Nc1ccc(N/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 ZINC000005955784

ZINC000005955784 (search)

Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O ZINC000002169133

ZINC000002169133 (search)

CCOC(=O)[C@@]1(C#N)[C@@H](c2ccsc2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 ZINC000004339187

ZINC000004339187 (search)

O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccccc1 ZINC000006529752

ZINC000006529752 (search)

c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 ZINC000000085434

ZINC000000085434 (search)

COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C ZINC000008456303

ZINC000008456303 (search)

CC1=CC(C#N)(C#N)C(C#N)(C#N)[C@@H](c2ccccc2)N1 ZINC000000509424

ZINC000000509424 (search)

O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S ZINC000002415874

ZINC000002415874 (search)

Oc1ccc(-c2cn3c(n2)SCC3)cc1O ZINC000000446570

ZINC000000446570 (search)

CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1 ZINC000004955482

ZINC000004955482 (search)

Cc1nnc(S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O)[nH]1 ZINC000006129839

ZINC000006129839 (search)

CN1C(=O)c2ccccc2NC(=O)[C@]12O[C@@H]2c1cccc(O)c1 ZINC000005759666

ZINC000005759666 (search)

Nc1cc(C(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000005071629

ZINC000005071629 (search)

CCC1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 ZINC000005025812

ZINC000005025812 (search)

Cc1ccc(/C=C2/Sc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3NC2=O)cc1 ZINC000015937013

ZINC000015937013 (search)

CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1 ZINC000004834402

ZINC000004834402 (search)

COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccc(F)cc1 ZINC000005477927

ZINC000005477927 (search)

CN1CCN(C2=C(Cl)C(=O)C(c3cnc(N4CCCCC4)s3)=C(Cl)C2=O)CC1 ZINC000038152513

ZINC000038152513 (search)

CSc1nc2[nH]c(=S)[nH]c2c(=S)[nH]1 ZINC000016969114

ZINC000016969114 (search)

COc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)cc1 ZINC000000314020

ZINC000000314020 (search)

CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000001561184

ZINC000001561184 (search)

NS(=O)(=O)c1ccc(N=Nc2c[nH]c(=O)c(O)c2)cc1 ZINC000253993319

ZINC000253993319 (search)

CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000013477976

ZINC000013477976 (search)

CCCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000002539817

ZINC000002539817 (search)

CC(=O)Oc1cc2cccc(OC(C)=O)c(=O)c2c(OC(C)=O)c1OC(C)=O ZINC000000978086

ZINC000000978086 (search)

COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(OC)c1 ZINC000002435229

ZINC000002435229 (search)

CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1 ZINC000017822061

ZINC000017822061 (search)

Cc1cc(C(=O)O)ccc1-n1c(C)ccc1C ZINC000000266944

ZINC000000266944 (search)

COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000008663735

ZINC000008663735 (search)

Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1O ZINC000000056584

ZINC000000056584 (search)

COc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1 ZINC000004301771

ZINC000004301771 (search)

COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Br)cc1 ZINC000005259632

ZINC000005259632 (search)

C=CCn1c(=O)/c(=C\c2ccsc2)s/c1=C(/C#N)C(=O)NCCN1CCOCC1 ZINC000101336627

ZINC000101336627 (search)

O=c1cccc2cc(O)c(O)c(O)c2c1O ZINC000013132551

ZINC000013132551 (search)

CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O ZINC000003954552

ZINC000003954552 (search)

Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1 ZINC000001220821

ZINC000001220821 (search)

CSc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000008969363

ZINC000008969363 (search)

CSC[C@H](C)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011874873

ZINC000011874873 (search)

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(F)cc2)CC1 ZINC000009130189

ZINC000009130189 (search)

COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccccc1 ZINC000008578983

ZINC000008578983 (search)

CN(C)c1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1 ZINC000005283934

ZINC000005283934 (search)

COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000002480227

ZINC000002480227 (search)

Cc1ccc(-c2[nH]c3cc(C(N)=O)ccc3c(=O)c2O)cc1 ZINC000015952297

ZINC000015952297 (search)

CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)CC1 ZINC000015935221

ZINC000015935221 (search)

O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000017466111

ZINC000017466111 (search)

CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21 ZINC000002688368

ZINC000002688368 (search)

COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc([N+](=O)[O-])c1O ZINC000020058253

ZINC000020058253 (search)

CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 ZINC000002428798

ZINC000002428798 (search)

CCN(CC)C(=O)CSc1nnc2nnc3cc(OC)ccc3n12 ZINC000000133812

ZINC000000133812 (search)

O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(O)ccc21 ZINC000001904713

ZINC000001904713 (search)

Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12 ZINC000002836801

ZINC000002836801 (search)

COc1ccc([C@@H]2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1OC ZINC000101730522

ZINC000101730522 (search)

Cc1cc(C)cc(N2C(=O)/C(=C/Nc3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c1 ZINC000008683607

ZINC000008683607 (search)

COc1cc(/C=N/Nc2[nH]c(=O)nnc2C)cc([N+](=O)[O-])c1O ZINC000013638550

ZINC000013638550 (search)

CN1CCC2(CC1)C(C#N)=C(N)NC(S)=C2C#N ZINC000001079247

ZINC000001079247 (search)

O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(C(=O)O)c1 ZINC000000377276

ZINC000000377276 (search)

CC(C)(C)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 ZINC000002640260

ZINC000002640260 (search)

O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(C(=O)O)cc1 ZINC000000547210

ZINC000000547210 (search)

CN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000000067234

ZINC000000067234 (search)

O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O ZINC000001958144

ZINC000001958144 (search)

Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000001241427

ZINC000001241427 (search)

CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002295296

ZINC000002295296 (search)

O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000004703308

ZINC000004703308 (search)

COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1OC ZINC000003885004

ZINC000003885004 (search)

Cc1cc(C)c[n+](-c2[nH]c(=O)sc2/C=N/NC(=S)Nc2ccccc2)c1 ZINC000013496268

ZINC000013496268 (search)

Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)no1 ZINC000001895811

ZINC000001895811 (search)

COc1ccc(NC(=O)CCl)cn1 ZINC000003441778

ZINC000003441778 (search)

CC(=O)c1ccc2cccc3nc(C)[nH]c1c23 ZINC000013123660

ZINC000013123660 (search)

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Sc2ncn[nH]2)c1 ZINC000015919301

ZINC000015919301 (search)

O=C(O)[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 ZINC000000196523

ZINC000000196523 (search)

C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000100235333

ZINC000100235333 (search)