BAD

Reference Set (70 Compounds)

CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1 ZINC000150338726

ZINC000150338726 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000094303099

ZINC000094303099 (search)

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000095548934

ZINC000095548934 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1C(F)(F)F ZINC000095616036

ZINC000095616036 (search)

Cc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)ccc1N[C@H](CCN(C)C)CSc1ccccc1 ZINC000096302137

ZINC000096302137 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1C#N ZINC000096302139

ZINC000096302139 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1S(C)(=O)=O ZINC000096302140

ZINC000096302140 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000096302141

ZINC000096302141 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCCC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000096302142

ZINC000096302142 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCCCC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000096302143

ZINC000096302143 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCCCCC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000096302144

ZINC000096302144 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCOC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000096302145

ZINC000096302145 (search)

O=C(NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000150524451

ZINC000150524451 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1OC(F)(F)F ZINC000150524460

ZINC000150524460 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1C(=O)C(F)(F)F ZINC000150524465

ZINC000150524465 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F ZINC000150524470

ZINC000150524470 (search)

O=C(NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCCC3)CC2)cc1 ZINC000150524480

ZINC000150524480 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1[N+](=O)[O-] ZINC000095615067

ZINC000095615067 (search)

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000096302138

ZINC000096302138 (search)

O=C(NS(=O)(=O)c1ccc(NCCS2=CC=CC=C2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000029042373

ZINC000029042373 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl ZINC000029465156

ZINC000029465156 (search)

CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CSc3ccccc3)cc2C(=O)N2CCc3ccccc3C2)n1 ZINC000042804893

ZINC000042804893 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl ZINC000049898893

ZINC000049898893 (search)

Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN ZINC000029465127

ZINC000029465127 (search)

CC1=C(C2=C(C)C(=O)c3c(c(/C=N/[C@@H]4C(=O)N5[C@@H](C(=O)O)C(C)(C)S[C@H]45)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(/C=N/[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c(O)c(O)c(C(C)C)c2C1=O ZINC000150532131

ZINC000150532131 (search)

Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO ZINC000029465118

ZINC000029465118 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl ZINC000029465168

ZINC000029465168 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl ZINC000029465172

ZINC000029465172 (search)

Cc1c(Br)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO ZINC000029465111

ZINC000029465111 (search)

CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2CCc3ccccc3C2)n1 ZINC000044352083

ZINC000044352083 (search)

CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(OCC(=O)c3ccccc3)cc2C(=O)N2CCc3ccccc3C2)n1 ZINC000029465179

ZINC000029465179 (search)

Cc1cc(C(=O)N(c2ccccc2)C2CCCCC2)nn1-c1ccccc1C(=O)N1CCc2ccccc2C1 ZINC000029465014

ZINC000029465014 (search)

COC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C ZINC000029465071

ZINC000029465071 (search)

Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C ZINC000029465095

ZINC000029465095 (search)

COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C ZINC000029465039

ZINC000029465039 (search)

CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(OCC(=O)O)cc2C(=O)N2CCc3ccccc3C2)n1 ZINC000029465183

ZINC000029465183 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccc(N)cc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl ZINC000042877562

ZINC000042877562 (search)

Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN(C)C ZINC000029465079

ZINC000029465079 (search)

O=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/c1cccc(-c2ccccc2)c1 ZINC000035932271

ZINC000035932271 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CO)c(C)c1Cl ZINC000029465148

ZINC000029465148 (search)

CCCCN(CCCC)C(=O)c1nn(-c2ccc(N)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl ZINC000029465160

ZINC000029465160 (search)

CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C ZINC000029465047

ZINC000029465047 (search)

Clc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 ZINC000073142027

ZINC000073142027 (search)

CN1CCN(c2ccc(Nc3nc4c(-c5nc[nH]n5)cccc4c4cnccc34)c(Cl)c2)CC1 ZINC000073166861

ZINC000073166861 (search)

Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 ZINC000073168879

ZINC000073168879 (search)

Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 ZINC000073160850

ZINC000073160850 (search)

Oc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(Cl)c1 ZINC000073160841

ZINC000073160841 (search)

CNC(=O)c1cccc2c1nc(Nc1cccc(OC)c1Cl)c1ccncc12 ZINC000073158882

ZINC000073158882 (search)

NC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc12 ZINC000073159430

ZINC000073159430 (search)

Fc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 ZINC000073159959

ZINC000073159959 (search)

CNC(=O)c1cccc2c1nc(Nc1ccccc1F)c1ccncc12 ZINC000073159428

ZINC000073159428 (search)

CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 ZINC000073142130

ZINC000073142130 (search)

Fc1cccc(F)c1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 ZINC000073157212

ZINC000073157212 (search)

CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O ZINC000049776339

ZINC000049776339 (search)

CNC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc12 ZINC000073159433

ZINC000073159433 (search)

CC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 ZINC000073142257

ZINC000073142257 (search)

$O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S ZINC000095613269$

ZINC000095613269 (search)

CC(C)CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 ZINC000073142260

ZINC000073142260 (search)

$COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C ZINC000029052268$

ZINC000029052268 (search)

CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 ZINC000073142128

ZINC000073142128 (search)

O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2nc3ccccc3s2)c(O)c(O)c1O ZINC000029136330

ZINC000029136330 (search)

Cc1oc2c(CC(C)C)c(O)c(O)c(O)c2c(=O)c1-c1ccc(-c2c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c2=O)cc1 ZINC000028656069

ZINC000028656069 (search)

O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2cccc3ccccc23)c(O)c(O)c1O ZINC000029151224

ZINC000029151224 (search)

COc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c1Cl ZINC000073170181

ZINC000073170181 (search)

$O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCCOCCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S ZINC000150522580$

ZINC000150522580 (search)

$O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S ZINC000095540723$

ZINC000095540723 (search)

C[n+]1cc2c3c(ccc2c2cc(CCO)ccc21)OCO3 ZINC000029486060

ZINC000029486060 (search)

O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001788203

ZINC000001788203 (search)

COCCc1ccc2c(c1)c1ccc3c(c1c[n+]2C)OCO3 ZINC000029486062

ZINC000029486062 (search)

$O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCCOCCOCCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S ZINC000150522573$

ZINC000150522573 (search)