Ca13

Reference Set (77 Compounds)

O=C(O)c1cc(O)c(O)c(O)c1 ZINC000000001504

ZINC000000001504 (search)

NCc1ccc(S(N)(=O)=O)cc1 ZINC000000001644

ZINC000000001644 (search)

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

ZINC000000002101 (search)

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

ZINC000000006694 (search)

NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl ZINC000000020253

ZINC000000020253 (search)

NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl ZINC000000035804

ZINC000000035804 (search)

NCCc1ccc(S(N)(=O)=O)cc1 ZINC000000056629

ZINC000000056629 (search)

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

ZINC000000056721 (search)

CCOc1ccc2ccc(=O)oc2c1 ZINC000000057719

ZINC000000057719 (search)

O=c1ccc2ccccc2o1 ZINC000000074709

ZINC000000074709 (search)

COc1cccc2cc(C(=O)O)c(=O)oc12 ZINC000000084532

ZINC000000084532 (search)

COc1ccc2oc(=O)c(C(=O)O)cc2c1 ZINC000000103684

ZINC000000103684 (search)

Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000000143548

ZINC000000143548 (search)

Nc1ccccc1S(N)(=O)=O ZINC000000163348

ZINC000000163348 (search)

O=C(O)c1ccc(O)cc1 ZINC000000332752

ZINC000000332752 (search)

COc1ccc2ccc(=O)oc2c1 ZINC000000391177

ZINC000000391177 (search)

O=c1ccc2ccc(OCc3ccccc3)cc2o1 ZINC000000493069

ZINC000000493069 (search)

CCOC(=O)c1cc2ccc(OC)cc2oc1=O ZINC000000499358

ZINC000000499358 (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)

NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](C(Cl)Cl)NS2(=O)=O ZINC000000897234

ZINC000000897234 (search)

Nc1ccc(S(N)(=O)=O)cc1Cl ZINC000001420707

ZINC000001420707 (search)

NCCCCCN ZINC000001529253

ZINC000001529253 (search)

O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1 ZINC000001529638

ZINC000001529638 (search)

CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1 ZINC000001530487

ZINC000001530487 (search)

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

ZINC000001530621 (search)

NCCCCCCN ZINC000001543408

ZINC000001543408 (search)

NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3 ZINC000001549366

ZINC000001549366 (search)

NCCNc1cccc2ccccc12 ZINC000001700217

ZINC000001700217 (search)

CCCOc1ccc2ccc(=O)oc2c1 ZINC000001893420

ZINC000001893420 (search)

Cc1ccc2oc(=O)c(C(=O)O)cc2c1 ZINC000002023765

ZINC000002023765 (search)

CCCCOc1ccc2ccc(=O)oc2c1 ZINC000002950199

ZINC000002950199 (search)

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

ZINC000003813042 (search)

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000003869685

ZINC000003869685 (search)

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

ZINC000003953037 (search)

NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O ZINC000005113104

ZINC000005113104 (search)

Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 ZINC000005579307

ZINC000005579307 (search)

COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O ZINC000005666182

ZINC000005666182 (search)

Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006392199

ZINC000006392199 (search)

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 ZINC000006716957

ZINC000006716957 (search)

Nc1ccc(S(N)(=O)=O)cc1F ZINC000006925827

ZINC000006925827 (search)

Nc1ccc(S(N)(=O)=O)cc1Br ZINC000012522340

ZINC000012522340 (search)

Nc1ccc(S(N)(=O)=O)cc1I ZINC000013442499

ZINC000013442499 (search)

Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013488273

ZINC000013488273 (search)

COc1ccc2c(C(=O)O)cc(=O)oc2c1 ZINC000013548082

ZINC000013548082 (search)

CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000013612331

ZINC000013612331 (search)

COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O ZINC000014503833

ZINC000014503833 (search)

O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1 ZINC000014504998

ZINC000014504998 (search)

CN(C)CCN(C)CCN(C)CCN(C)C ZINC000019365690

ZINC000019365690 (search)

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000019632618

ZINC000019632618 (search)

NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1 ZINC000024959962

ZINC000024959962 (search)

NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O ZINC000028358893

ZINC000028358893 (search)

O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2)O1 ZINC000028972543

ZINC000028972543 (search)

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

ZINC000032236516 (search)

CCCCCCCCOS(N)(=O)=O ZINC000034717916

ZINC000034717916 (search)

CCCCCCCCCCOS(N)(=O)=O ZINC000034718172

ZINC000034718172 (search)

CCOC(=O)c1cc2cc(CO)ccc2oc1=O ZINC000039042869

ZINC000039042869 (search)

NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2 ZINC000039123364

ZINC000039123364 (search)

O=C(O)c1cc2ccccc2sc1=O ZINC000039220095

ZINC000039220095 (search)

NS(=O)(=O)c1ccc2[nH]c(-c3cscn3)nc2c1 ZINC000039716428

ZINC000039716428 (search)

COc1cc(O)c(/C=C\C(=O)O)cc1[C@@H](O)CC(C)C ZINC000043069883

ZINC000043069883 (search)

O=c1ccc2cc(CO)ccc2o1 ZINC000044198895

ZINC000044198895 (search)

O=c1ccc2ccc(CCc3ccccc3)cc2o1 ZINC000045245162

ZINC000045245162 (search)

NCc1ccc2oc(=O)ccc2c1 ZINC000045245505

ZINC000045245505 (search)

COC(=O)c1cc2cc(CO)ccc2oc1=O ZINC000045254920

ZINC000045254920 (search)

O=C(O)c1cc2cc(CO)ccc2oc1=O ZINC000045260390

ZINC000045260390 (search)

O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 ZINC000045300690

ZINC000045300690 (search)

CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000095616603

ZINC000095616603 (search)

O=C1C[C@H]2C[C@H](C[C@H](CCc3ccc(O)cc3O)O2)O1 ZINC000096271770

ZINC000096271770 (search)

O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1 ZINC000096271771

ZINC000096271771 (search)

O=C1C[C@H]2C[C@H](C[C@H](CCc3ccc(O)cc3)O2)O1 ZINC000096271772

ZINC000096271772 (search)

O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1 ZINC000096271773

ZINC000096271773 (search)

O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2O)O1 ZINC000096271774

ZINC000096271774 (search)

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

ZINC000100019188 (search)

O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1 ZINC000473154956

ZINC000473154956 (search)

O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1 ZINC000473154966

ZINC000473154966 (search)

COc1cc(/C=C/C(=O)OCCc2cccc(O)c2)ccc1O ZINC000473155193

ZINC000473155193 (search)