pvdQ

Reference Set (77 Compounds)

CCOC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000003645785

ZINC000003645785 (search)

N#C[C@@H](c1ccc(Cl)cc1)c1cccc(Cl)n1 ZINC000001403103

ZINC000001403103 (search)

N#C[C@@H](c1ccc(Cl)nn1)c1ccc(Cl)cc1Cl ZINC000000169583

ZINC000000169583 (search)

COC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000000204272

ZINC000000204272 (search)

COc1ccccc1[C@@H](C#N)c1cccc(Cl)n1 ZINC000001403113

ZINC000001403113 (search)

N#C[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000000168574

ZINC000000168574 (search)

N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1Cl ZINC000001396396

ZINC000001396396 (search)

O=C(NC1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000375641

ZINC000000375641 (search)

N#C[C@H](c1ccc(Cl)cc1)c1ccc(Cl)nn1 ZINC000001396404

ZINC000001396404 (search)

N#C[C@H](c1ccccc1)c1cccc(Cl)n1 ZINC000000169620

ZINC000000169620 (search)

Cc1cc(S(=O)(=O)NCC2CC2)c(Cl)cc1Cl ZINC000000091221

ZINC000000091221 (search)

Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1 ZINC000002995961

ZINC000002995961 (search)

Cc1ccc([C@@H](C#N)c2ccc(Cl)nn2)cc1 ZINC000000169881

ZINC000000169881 (search)

N#CN(Cc1ccccc1)Cc1ccccc1 ZINC000000400096

ZINC000000400096 (search)

O=C(CSCc1ccco1)N1CCc2ccccc21 ZINC000003257653

ZINC000003257653 (search)

O=CNC1(c2ccccc2)CCCCC1 ZINC000000394390

ZINC000000394390 (search)

COC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000360478

ZINC000000360478 (search)

Cc1cccc([C@@H](C#N)c2ccc(Cl)nn2)c1 ZINC000000169884

ZINC000000169884 (search)

Cc1cc(NC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000005014054

ZINC000005014054 (search)

O=C1[C@H]2[C@H](C(=O)N1Cc1ccco1)[C@H]1C=C[C@H]2C12CC2 ZINC000104280839

ZINC000104280839 (search)

Cc1ccc([S+]([O-])c2ccc(C)cc2)cc1 ZINC000000013560

ZINC000000013560 (search)

Clc1ccc2scc(CN3CCCC3)c2c1 ZINC000000330029

ZINC000000330029 (search)

O=CN(c1ccccc1)c1ccc2ccccc2c1 ZINC000000313720

ZINC000000313720 (search)

N#C[C@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385497

ZINC000001385497 (search)

Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)no1 ZINC000002377004

ZINC000002377004 (search)

O=C(NC1CCCC1)c1cccc(Cl)c1 ZINC000004666138

ZINC000004666138 (search)

Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCSC2=O)c1 ZINC000007986352

ZINC000007986352 (search)

CSC1=N/C(=C\C=C\c2cccs2)C(=O)S1 ZINC000005102400

ZINC000005102400 (search)

CCOC1=CC(=O)O[C@H](c2ccccc2)C1 ZINC000001577664

ZINC000001577664 (search)

O=C(NCC1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003084254

ZINC000003084254 (search)

N#Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004702037

ZINC000004702037 (search)

CCOC(=O)c1ccc(N2Cc3ccccc3C2=N)cc1 ZINC000006758484

ZINC000006758484 (search)

O=[N+]([O-])c1ccc(N2CCCCC2)nc1 ZINC000019638425

ZINC000019638425 (search)

N#C[C@@H](c1ccc(Cl)nn1)c1c(F)cccc1Cl ZINC000001397060

ZINC000001397060 (search)

COc1ccccc1N[C@@H](C#N)c1ccc(Br)cc1 ZINC000000529982

ZINC000000529982 (search)

COc1ccc(C2=C(C=O)Cc3ccccc3O2)cc1 ZINC000012725933

ZINC000012725933 (search)

COC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000002503034

ZINC000002503034 (search)

Cn1cccc1[C@@H](C#N)c1cccc(F)c1C#N ZINC000000167319

ZINC000000167319 (search)

C=CCOC(=O)c1ccc(-n2cnc(C)n2)nc1 ZINC000006925410

ZINC000006925410 (search)

Cc1cc(C)nc(N(C#N)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000000469994

ZINC000000469994 (search)

O=C(NC1CCCCCCC1)c1cccc(Cl)c1 ZINC000001398406

ZINC000001398406 (search)

CCC(=O)N1CCc2ccccc2[C@H]1C#N ZINC000000477291

ZINC000000477291 (search)

O=[N+]([O-])c1ccc(N2CCCC2)nc1 ZINC000019645556

ZINC000019645556 (search)

Cc1ccc2scc(CN3CCCC3)c2c1 ZINC000000338882

ZINC000000338882 (search)

C#CCSc1ncc(-c2ccccc2)cn1 ZINC000003133757

ZINC000003133757 (search)

CCCCC[C@H]1C[C@@H](COc2ccccc2)OC1=O ZINC000002116242

ZINC000002116242 (search)

N#Cc1cc(-c2ccccc2)cnc1Cl ZINC000000169455

ZINC000000169455 (search)

CC(C)CCNC(=O)c1cccc(Cl)c1 ZINC000000030398

ZINC000000030398 (search)

COc1ccc([C@@H](C#N)c2ccc(Cl)nn2)cc1 ZINC000000169375

ZINC000000169375 (search)

O=[N+]([O-])c1ccc(N2CCCCC2)cc1 ZINC000003877772

ZINC000003877772 (search)

COc1cccc(C(=O)C[C@@H](C#N)c2ccc(F)cc2)c1 ZINC000001397589

ZINC000001397589 (search)

COc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000000172111

ZINC000000172111 (search)

Clc1cccc(CNCCCSc2ncccn2)c1 ZINC000004984144

ZINC000004984144 (search)

CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000073834

ZINC000000073834 (search)

O=C1N[C@@H](Cc2ccccc2)[C@@H](c2ccco2)O1 ZINC000013879125

ZINC000013879125 (search)

N#C[C@H](Sc1ccccn1)c1ccc(Cl)cc1 ZINC000001401872

ZINC000001401872 (search)

COC(=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000000240611

ZINC000000240611 (search)

CCOC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001560205

ZINC000001560205 (search)

CCOC(=O)C[C@@H](C#N)c1cn(C)c2ccccc12 ZINC000002403311

ZINC000002403311 (search)

CCOc1ccc(-n2cccc2C=O)cc1 ZINC000000609020

ZINC000000609020 (search)

COc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000002846269

ZINC000002846269 (search)

N#C[C@H](OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000129304

ZINC000000129304 (search)

Cc1cccc(NC(=O)Nc2cc(C)on2)c1 ZINC000000137613

ZINC000000137613 (search)

O[C@H](c1cccc(Cl)c1)c1nccc2ccccc12 ZINC000000337515

ZINC000000337515 (search)

Cn1cccc1[C@@H](C#N)c1ccccc1C#N ZINC000003133302

ZINC000003133302 (search)

N#C[C@H]1[C@H]2CC[C@@H]([C@H]3[C@H]2N3c2ccccc2)[C@H]1C#N ZINC000102865922

ZINC000102865922 (search)

O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 ZINC000101752935

ZINC000101752935 (search)

CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000002179455

ZINC000002179455 (search)

O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000004504628

ZINC000004504628 (search)

O=C1C=C(c2cc(F)ccc2F)C[C@@H](c2ccc(F)cc2)C1 ZINC000036389314

ZINC000036389314 (search)

Cc1cc(C)nc(N(C#N)Cc2ccccc2)n1 ZINC000000242603

ZINC000000242603 (search)

Clc1ccc2scc(CN3CCCCC3)c2c1 ZINC000000338791

ZINC000000338791 (search)

N#CCN(N=Nc1ccccc1)c1ccccc1 ZINC000254015186

ZINC000254015186 (search)

CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000000035746

ZINC000000035746 (search)

COc1ccc(/C(C#N)=C/c2cccnc2)cc1 ZINC000011535821

ZINC000011535821 (search)

O=C1C=C(c2cccc(Cl)c2)C[C@@H](c2ccc(F)cc2)C1 ZINC000036382278

ZINC000036382278 (search)

CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000000479299

ZINC000000479299 (search)