Reference Set (124 Compounds)

O=C(O)CSc1nnc[nH]1 ZINC000006551504

ZINC000006551504 (search)

O=C(CSc1ncn[nH]1)OCN1C(=O)c2ccccc2C1=O ZINC000002490609

ZINC000002490609 (search)

COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000506138

ZINC000000506138 (search)

COc1cc([N+](=O)[O-])ccc1NC(=O)Nn1cnnc1 ZINC000005041912

ZINC000005041912 (search)

COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl ZINC000000270481

ZINC000000270481 (search)

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

ZINC000003869685 (search)

O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)ns1 ZINC000004278549

ZINC000004278549 (search)

O=C(O)c1ccc(O)c(O)c1 ZINC000000013246

ZINC000000013246 (search)

COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1 ZINC000000315387

ZINC000000315387 (search)

O=C(Nc1cc(Cl)ccc1Cl)Nn1cnnc1 ZINC000015933798

ZINC000015933798 (search)

O[C@H](Cn1cnnc1)c1ccccc1 ZINC000003305595

ZINC000003305595 (search)

CCOC(=O)NC(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 ZINC000012733366

ZINC000012733366 (search)

O=C(Nc1cccc(Cl)c1Cl)Nn1cnnc1 ZINC000000609288

ZINC000000609288 (search)

Cc1ccccc1-n1sc2cc(F)ccc2c1=O ZINC000001430592

ZINC000001430592 (search)

S=C(Nc1cc(Cl)ccc1Cl)Nn1cnnc1 ZINC000000150423

ZINC000000150423 (search)

Cc1c(C(=O)Nn2cnnc2)oc2ccccc12 ZINC000003017636

ZINC000003017636 (search)

O=c1[nH]c(/C=C\c2ccc(O)c(O)c2)nc(O)c1[N+](=O)[O-] ZINC000009010329

ZINC000009010329 (search)

CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000013130661

ZINC000013130661 (search)

O=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1 ZINC000000621606

ZINC000000621606 (search)

O=C(Nc1ccc(Cl)cc1Cl)Nn1cnnc1 ZINC000015952143

ZINC000015952143 (search)

CC(C)(C)c1ccc(O)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000013126533

ZINC000013126533 (search)

COc1ccc(Cl)cc1NC(=O)Nn1cnnc1 ZINC000000610761

ZINC000000610761 (search)

O=c1[nH]c(CSc2ncn[nH]2)nc2ccccc12 ZINC000013597907

ZINC000013597907 (search)

O=C(Nc1ccc(Cl)c(Cl)c1)Nn1cnnc1 ZINC000000329887

ZINC000000329887 (search)

COc1cc([N+](=O)[O-])ccc1NC(=S)Nn1cnnc1 ZINC000006569077

ZINC000006569077 (search)

CC1=C([N+](=O)[O-])[C@@H](c2ccc(O)c(O)c2)NC(=O)N1 ZINC000000370157

ZINC000000370157 (search)

CCOc1cc(C(=O)NC(=S)Nn2cnnc2)cc(OCC)c1OCC ZINC000005560695

ZINC000005560695 (search)

O=C(Nc1cccc([N+](=O)[O-])c1)Nn1cnnc1 ZINC000015952161

ZINC000015952161 (search)

O=C(CSc1ncn[nH]1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000008692006

ZINC000008692006 (search)

Oc1ccc(/C=N/n2cncn2)cc1O ZINC000004737985

ZINC000004737985 (search)

O=C(Nc1ccc([N+](=O)[O-])cc1)Nn1cnnc1 ZINC000004373564

ZINC000004373564 (search)

Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccccc1 ZINC000000154320

ZINC000000154320 (search)

CCN(CC)S(=O)(=O)c1ccc(C(=O)Nn2cnnc2)cc1 ZINC000003261846

ZINC000003261846 (search)

CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(O)c(O)c1 ZINC000019325852

ZINC000019325852 (search)

C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000003814410

ZINC000003814410 (search)

Cc1ccc(-n2sc3ccccc3c2=O)cc1 ZINC000000529002

ZINC000000529002 (search)

CC1(C)CC(=O)c2c(oc3cc(O)c(O)cc23)C1 ZINC000001620239

ZINC000001620239 (search)

O=C(O)c1c[nH]nc1-n1cnnn1 ZINC000005642230

ZINC000005642230 (search)

Cc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000000384355

ZINC000000384355 (search)

Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000000119988

ZINC000000119988 (search)

O=C(Nc1ccc(F)c(Cl)c1)Nn1cnnc1 ZINC000015933948

ZINC000015933948 (search)

O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc(O)c(O)c1 ZINC000017889531

ZINC000017889531 (search)

O=C(Nc1ccccc1Cl)Nn1cnnc1 ZINC000015951951

ZINC000015951951 (search)

O=C(/C=C/c1ccc(O)c(O)c1)NC(=O)c1ccccc1O ZINC000000485751

ZINC000000485751 (search)

Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000018163844

ZINC000018163844 (search)

O=C(COc1ccccc1C(=O)N/N=C\c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1 ZINC000032121684

ZINC000032121684 (search)

O=C(NC(=S)Nn1cnnc1)c1ccccc1Br ZINC000003259204

ZINC000003259204 (search)

Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12 ZINC000253916235

ZINC000253916235 (search)

CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(O)c(O)c1 ZINC000009969301

ZINC000009969301 (search)

Oc1ccc(-c2cn3c(n2)SCC3)cc1O ZINC000000446570

ZINC000000446570 (search)

COc1ccc(N2C(=O)/C(=C\Nn3cnnc3)c3ccccc3C2=O)cc1 ZINC000095364953

ZINC000095364953 (search)

Cc1nnc(NNS(=O)(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000013683298

ZINC000013683298 (search)

O=C(NCc1cccnc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000000646286

ZINC000000646286 (search)

Cc1c(C(=O)c2no[n+]([O-])c2C(=O)c2cnn(C)c2C)cnn1C ZINC000000534038

ZINC000000534038 (search)

O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1 ZINC000002219442

ZINC000002219442 (search)

Cc1ccc(N2C(=O)/C(=C/Nn3cnnc3)c3ccccc3C2=O)cc1 ZINC000018154366

ZINC000018154366 (search)

O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 ZINC000001225660

ZINC000001225660 (search)

Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(O)c(O)c2)nc1-c1ccccc1 ZINC000013121796

ZINC000013121796 (search)

Cc1cc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)no1 ZINC000002494457

ZINC000002494457 (search)

Cc1ccc(Cl)cc1NC(=O)Nn1cnnc1 ZINC000015934254

ZINC000015934254 (search)

Oc1ccc(/C=N/N=C/c2ccc(O)c(O)c2)cc1O ZINC000001582088

ZINC000001582088 (search)

CC1(C)C[C@@]2(C[C@@H](c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1 ZINC000013571065

ZINC000013571065 (search)

O=C(/C=C/c1ccccc1)Nn1cnnc1 ZINC000000325174

ZINC000000325174 (search)

COC[C@H](C)NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725383

ZINC000002725383 (search)

CN1C(=O)N(c2cccc3ccccc23)[C@@H](n2cncn2)C1(C)C ZINC000004338644

ZINC000004338644 (search)

Oc1ccc(-c2csc(-c3cccnc3)n2)cc1O ZINC000000177496

ZINC000000177496 (search)

O=C(CNC(=O)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000002657847

ZINC000002657847 (search)

Oc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1O ZINC000013122547

ZINC000013122547 (search)

O=C1/C(=C/Nn2cnnc2)c2ccccc2C(=O)N1c1ccccc1 ZINC000005446066

ZINC000005446066 (search)

Cc1c(Cl)cccc1NC(=O)Nn1cnnc1 ZINC000015952148

ZINC000015952148 (search)

COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1 ZINC000000433818

ZINC000000433818 (search)

CNCc1ccccc1Sc1ccc(O)c(O)c1 ZINC000000347787

ZINC000000347787 (search)

Oc1ccc(O)c(-c2cnns2)c1 ZINC000000383934

ZINC000000383934 (search)

BrC(=C\c1ccccc1)/C=N/n1cnnc1 ZINC000000135922

ZINC000000135922 (search)

Cc1cccc(NC(=S)Nn2cnnc2)c1C ZINC000013518749

ZINC000013518749 (search)

O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1O ZINC000013597248

ZINC000013597248 (search)

Cc1ccc(N2C(=O)/C(=C\Nn3cnnc3)c3ccccc3C2=O)cc1 ZINC000100496851

ZINC000100496851 (search)

NCCc1ccc(O)c(O)c1 ZINC000000033882

ZINC000000033882 (search)

COc1cccc2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)cc(C)nc12 ZINC000000871156

ZINC000000871156 (search)

Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)n1 ZINC000000212672

ZINC000000212672 (search)

Cc1ccc(Cl)cc1NC(=S)Nn1cnnc1 ZINC000013839921

ZINC000013839921 (search)

COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC ZINC000005783373

ZINC000005783373 (search)

CCOC(=O)c1ccc(NC(=O)Nn2cnnc2)cc1 ZINC000015933608

ZINC000015933608 (search)

O=C(CSc1nnc(-c2ccccc2)o1)Nn1cnnc1 ZINC000000570072

ZINC000000570072 (search)

O=C(NCCc1ccc(O)c(O)c1)[C@@H]1COc2ccccc2O1 ZINC000002626508

ZINC000002626508 (search)

Cc1ccc(NC(=S)Nn2cnnc2)c(C)c1 ZINC000013839919

ZINC000013839919 (search)

COCCNC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725381

ZINC000002725381 (search)

CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(O)c(O)c3)C(=N)N12 ZINC000013655851

ZINC000013655851 (search)

O=C(Nn1cnnc1)c1csc2ccccc12 ZINC000001054719

ZINC000001054719 (search)

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

ZINC000000006787 (search)

CC[C@@H](C)c1ccc(O)c(N)c1 ZINC000000157391

ZINC000000157391 (search)

O=C(Nc1cccc(C(F)(F)F)c1)Nn1cnnc1 ZINC000006321636

ZINC000006321636 (search)

COc1cc(Br)cc(/C=N/c2nnc[nH]2)c1O ZINC000013130594

ZINC000013130594 (search)

COC(=O)c1cc(C(=O)Nn2cnnc2)cc([N+](=O)[O-])c1 ZINC000001097987

ZINC000001097987 (search)

COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)c2c1 ZINC000000871124

ZINC000000871124 (search)

Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O ZINC000018142487

ZINC000018142487 (search)

COc1ccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)cc1OC ZINC000001117472

ZINC000001117472 (search)

COc1ccc(C(=O)n2cnnc2N)cc1 ZINC000004570721

ZINC000004570721 (search)

Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br ZINC000000327233

ZINC000000327233 (search)

Oc1ccc(-c2cn3ccccc3n2)cc1O ZINC000000238901

ZINC000000238901 (search)

c1ccc(NCn2cncn2)nc1 ZINC000019299974

ZINC000019299974 (search)

Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002862594

ZINC000002862594 (search)

O=C(Nc1cc(N2CCOCC2)ncn1)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000000646698

ZINC000000646698 (search)

O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCC2(CC1)OCCO2 ZINC000001098101

ZINC000001098101 (search)

Oc1ccc(-c2csc(-c3ccccc3)n2)cc1O ZINC000000456134

ZINC000000456134 (search)

O=C(N/N=C/c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1 ZINC000000225604

ZINC000000225604 (search)

Cc1cc(C)cc(C(=O)n2cnnc2N)c1 ZINC000000496741

ZINC000000496741 (search)

O=C(Nn1cnnc1)c1ccccc1-c1ccccc1 ZINC000000618334

ZINC000000618334 (search)

CNC[C@H](O)c1ccc(O)c(O)c1 ZINC000000039089

ZINC000000039089 (search)

CCOC(=O)Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)n1 ZINC000001099163

ZINC000001099163 (search)

CCc1ccccc1NC(=S)Nn1cnnc1 ZINC000013839903

ZINC000013839903 (search)

CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000000155525

ZINC000000155525 (search)

Cc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1 ZINC000001054921

ZINC000001054921 (search)

O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Oc1ccccc1O ZINC000002831230

ZINC000002831230 (search)

CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000000009073

ZINC000000009073 (search)

O=CN/C=C/c1cc(O)ccc1O ZINC000100304497

ZINC000100304497 (search)

O=S(=O)(Nn1cnnc1)c1ccccc1 ZINC000000029141

ZINC000000029141 (search)

O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)C(=O)N1 ZINC000015924675

ZINC000015924675 (search)

Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000003206036

ZINC000003206036 (search)

N/C(=N/[N+](=O)[O-])N/N=C/c1ccc(O)cc1O ZINC000004954414

ZINC000004954414 (search)

CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1 ZINC000006730018

ZINC000006730018 (search)

CCOC(=O)NC1(Nc2ccc(C)cc2)Oc2ccccc2O1 ZINC000000045404

ZINC000000045404 (search)

Cc1cc(C)n2c(=S)[nH]nc2n1 ZINC000000312529

ZINC000000312529 (search)

COc1ccc(C2=CC(=O)C=CC2=O)cc1 ZINC000000095325

ZINC000000095325 (search)