CA13

Reference Set (100 Compounds)

Nc1ccc(S(N)(=O)=O)cc1 ZINC000000002101

ZINC000000002101 (search)

C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 ZINC000000003911

ZINC000000003911 (search)

NS(=O)(=O)Cc1noc2ccccc12 ZINC000000004321

ZINC000000004321 (search)

Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 ZINC000000006694

ZINC000000006694 (search)

Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000000006787

ZINC000000006787 (search)

COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 ZINC000000007673

ZINC000000007673 (search)

NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000000030817

ZINC000000030817 (search)

CCOc1ccc2nc(S(N)(=O)=O)sc2c1 ZINC000000056721

ZINC000000056721 (search)

COc1cc2ccc(=O)oc2c(O)c1O ZINC000000113309

ZINC000000113309 (search)

[O-][n+]1ccccc1S ZINC000000156822

ZINC000000156822 (search)

NS(=O)(=O)c1ccccc1 ZINC000000330150

ZINC000000330150 (search)

CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1 ZINC000000338304

ZINC000000338304 (search)

C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000000601305

ZINC000000601305 (search)

NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 ZINC000000896918

ZINC000000896918 (search)

CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621

ZINC000001530621 (search)

COc1cc([C@@H]2Oc3cc([C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000001554609

ZINC000001554609 (search)

COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2 ZINC000001668225

ZINC000001668225 (search)

COc1cc2oc(=O)ccc2cc1O ZINC000001845692

ZINC000001845692 (search)

COc1cc2ccc(=O)oc2c(OC)c1OC ZINC000002516970

ZINC000002516970 (search)

Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002570895

ZINC000002570895 (search)

NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002576671

ZINC000002576671 (search)

CC(=O)Nc1nnc(S(N)(=O)=O)s1 ZINC000003813042

ZINC000003813042 (search)

O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 ZINC000003872446

ZINC000003872446 (search)

CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000003953037

ZINC000003953037 (search)

COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O ZINC000004027246

ZINC000004027246 (search)

COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004082214

ZINC000004082214 (search)

Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1 ZINC000005031617

ZINC000005031617 (search)

O/N=c1/ccc2ccccc2o1 ZINC000005045449

ZINC000005045449 (search)

COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C ZINC000005158136

ZINC000005158136 (search)

O=C(S)c1ccccc1 ZINC000005226314

ZINC000005226314 (search)

NS(=O)(=O)c1ccc(SCCO)cc1 ZINC000005570041

ZINC000005570041 (search)

NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000005839050

ZINC000005839050 (search)

O=c1ccc2ccccc2[nH]1 ZINC000008579298

ZINC000008579298 (search)

Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000012504500

ZINC000012504500 (search)

COc1cc2oc(=O)ccc2c2c1C=CC(C)(C)O2 ZINC000013311315

ZINC000013311315 (search)

COc1c(O)ccc2ccc(=O)oc12 ZINC000013481600

ZINC000013481600 (search)

Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl ZINC000013520197

ZINC000013520197 (search)

C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 ZINC000013819822

ZINC000013819822 (search)

NS(=O)(=O)C(F)(F)F ZINC000014277885

ZINC000014277885 (search)

C/C(=C\Cc1cc2ccc(=O)oc2cc1O)CO ZINC000014506889

ZINC000014506889 (search)

C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O ZINC000014587271

ZINC000014587271 (search)

COc1cc(OC)c2ccc(=O)oc2c1OC ZINC000014776268

ZINC000014776268 (search)

COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1O)c2c34 ZINC000015150708

ZINC000015150708 (search)

Nc1nnc(S(N)(=O)=O)s1 ZINC000016969869

ZINC000016969869 (search)

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000026474822

ZINC000026474822 (search)

CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000028389402

ZINC000028389402 (search)

COc1ccc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(OS(=O)(=O)O)c(OC)cc2-3)cc1O ZINC000031706157

ZINC000031706157 (search)

COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C ZINC000032236516

ZINC000032236516 (search)

NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000036666954

ZINC000036666954 (search)

Nc1ccc(S(N)(=O)=O)nc1 ZINC000039053901

ZINC000039053901 (search)

NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1 ZINC000040381421

ZINC000040381421 (search)

NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1 ZINC000055669663

ZINC000055669663 (search)

NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(=O)O)n2)cc1 ZINC000055669669

ZINC000055669669 (search)

NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 ZINC000058540717

ZINC000058540717 (search)

COc1ncnc(NCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000058638498

ZINC000058638498 (search)

NS(=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000058638735

ZINC000058638735 (search)

COc1ncnc(NCCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000058638843

ZINC000058638843 (search)

NS(=O)(=O)c1ccc(CNc2nc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000058649836

ZINC000058649836 (search)

CSc1nc(Cl)c(C=O)c(NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000058649837

ZINC000058649837 (search)

NS(=O)(=O)c1cc(C(=O)CSc2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl ZINC000058650314

ZINC000058650314 (search)

NS(=O)(=O)c1ccc(CNc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000058650723

ZINC000058650723 (search)

NS(=O)(=O)c1cc(C(=O)CSc2nc3cc(Br)ccc3[nH]2)ccc1Cl ZINC000064512395

ZINC000064512395 (search)

NS(=O)(=O)c1ccc(Nc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000064512508

ZINC000064512508 (search)

NS(=O)(=O)c1cc(C(=O)CSc2nc3cnc4ccccc4c3[nH]2)ccc1Cl ZINC000064512738

ZINC000064512738 (search)

NS(=O)(=O)c1ccc(CCNc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000064512874

ZINC000064512874 (search)

CSc1nc(Cl)c(C=O)c(NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000064512942

ZINC000064512942 (search)

CC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064513138

ZINC000064513138 (search)

CC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064513141

ZINC000064513141 (search)

NS(=O)(=O)c1cc(C(=O)CSc2nc3ccccc3[nH]2)ccc1Cl ZINC000064526424

ZINC000064526424 (search)

CSc1nc(Cl)c(C#N)c(NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000064526465

ZINC000064526465 (search)

CSc1nc(Cl)c(C#N)c(Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000064526469

ZINC000064526469 (search)

Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064526972

ZINC000064526972 (search)

NS(=O)(=O)c1cc(C(=O)Cn2c(CO)nc3ccccc32)ccc1Cl ZINC000064526973

ZINC000064526973 (search)

NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc32)ccc1Cl ZINC000064526986

ZINC000064526986 (search)

CCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064527145

ZINC000064527145 (search)

CCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064527146

ZINC000064527146 (search)

CSc1nc(Cl)c(C#N)c(NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000064527429

ZINC000064527429 (search)

CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064527445

ZINC000064527445 (search)

NS(=O)(=O)c1cc(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1Cl ZINC000064527587

ZINC000064527587 (search)

CSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000064755223

ZINC000064755223 (search)

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000072178811

ZINC000072178811 (search)

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000072179758

ZINC000072179758 (search)

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1 ZINC000072179759

ZINC000072179759 (search)

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1 ZINC000072179765

ZINC000072179765 (search)

CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C ZINC000100019188

ZINC000100019188 (search)

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000100067274

ZINC000100067274 (search)

COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1 ZINC000101504538

ZINC000101504538 (search)

NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCO)c(NCc2ccccc2)c1F ZINC000208946400

ZINC000208946400 (search)

NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCO)c(NC2CCCCCCC2)c1F ZINC000208946432

ZINC000208946432 (search)

NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NC1CCCCCCCCCCC1 ZINC000209002174

ZINC000209002174 (search)

NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1 ZINC000209010090

ZINC000209010090 (search)

CCCSc1c(F)c(F)c(S(N)(=O)=O)c(NC2CCCCCCC2)c1F ZINC000209017344

ZINC000209017344 (search)

CC(C)(C)Nc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)CCc1ccccc1 ZINC000209031135

ZINC000209031135 (search)

CNc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)CCc1ccccc1 ZINC000209031184

ZINC000209031184 (search)

NS(=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F ZINC000263621146

ZINC000263621146 (search)

NS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1 ZINC000653842135

ZINC000653842135 (search)

NS(=O)(=O)c1cccc(C(=O)Cn2cnc3ccccc32)c1 ZINC000653852851

ZINC000653852851 (search)

COc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1 ZINC000653854492

ZINC000653854492 (search)

NS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1Cl ZINC000653854573

ZINC000653854573 (search)

CCCS(=O)(=O)c1c(F)c(F)c(S(N)(=O)=O)c(F)c1NC1CCCCCCC1 ZINC000653854684

ZINC000653854684 (search)