Reference Set (48 Compounds)

C[C@@]1(C#N)[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O[C@H]1c1ccc2c(N)ncnn12 ZINC000210873007

ZINC000210873007 (search)

C[C@@]1(C#N)[C@@H](c2cnc3c(N)ncnn23)O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H]1O ZINC001772577601

ZINC001772577601 (search)

CO[C@]1(c2ccc3c(N)ncnn23)O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@]1(C)C#N ZINC001772608187

ZINC001772608187 (search)

C[C@]1(C#N)[C@H](O)[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@]1(C#N)c1ccc2c(N)ncnn12 ZINC001772624611

ZINC001772624611 (search)

CO[C@]1(c2cnc3c(N)ncnn23)O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@]1(C)C#N ZINC001772637580

ZINC001772637580 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1 ZINC000096174166

ZINC000096174166 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccoc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174176

ZINC000096174176 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccccc2F)cc1 ZINC000096174195

ZINC000096174195 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174199

ZINC000096174199 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNS(C)(=O)=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174173

ZINC000096174173 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1 ZINC000096174192

ZINC000096174192 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCSC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174200

ZINC000096174200 (search)

Nc1ccc2ncccc2c1 ZINC000000163693

ZINC000000163693 (search)

CCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174182

ZINC000096174182 (search)

CCN(c1cc2nn(-c3ccc(Nc4ccc(F)cc4)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174167

ZINC000096174167 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174180

ZINC000096174180 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@@H]3CCOC3)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1 ZINC000169686768

ZINC000169686768 (search)

CCN(c1cc2nn(-c3ccc(Oc4ccccc4F)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174168

ZINC000096174168 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(C)=O)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1 ZINC000096174172

ZINC000096174172 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ncoc3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174181

ZINC000096174181 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccc(OC)c3F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174186

ZINC000096174186 (search)

CNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174191

ZINC000096174191 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccccc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174178

ZINC000096174178 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174194

ZINC000096174194 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174190

ZINC000096174190 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174198

ZINC000096174198 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCOCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174189

ZINC000096174189 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174175

ZINC000096174175 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3nonc3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174184

ZINC000096174184 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(C)=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174197

ZINC000096174197 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccnc(OC)c3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174183

ZINC000096174183 (search)

CCCC(=O)NCCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174179

ZINC000096174179 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000169686767

ZINC000169686767 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1 ZINC000096174196

ZINC000096174196 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174185

ZINC000096174185 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCC(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1 ZINC000096174193

ZINC000096174193 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCN3CCOCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 ZINC000096174170

ZINC000096174170 (search)

CCN(c1cc2nn(-c3ccc(NCC(C)C)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174171

ZINC000096174171 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccnc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174188

ZINC000096174188 (search)

CCOC(=O)CCC(=O)NCCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174177

ZINC000096174177 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccnc3OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174187

ZINC000096174187 (search)

CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCCCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 ZINC000096174169

ZINC000096174169 (search)

CCN(c1cc2nn(-c3ccc(Oc4ccc(F)cc4)nc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174174

ZINC000096174174 (search)

CC(C)N1CC[C@H](N(C)C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3sc(C(=O)O)cc32)C1 ZINC000141680573

ZINC000141680573 (search)

CC(C)CNCc1c(C(=O)O)sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@@H]3CCN(C(C)C)C3)c12 ZINC000299856653

ZINC000299856653 (search)

CC(C)N1CC[C@@H](N2CCn3c(c(C4CCCCC4)c4sc(C(=O)O)cc43)-c3ccccc3C2)C1 ZINC000034785984

ZINC000034785984 (search)

CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2sc(C(=O)O)cc21 ZINC000034545222

ZINC000034545222 (search)

O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(I)cc(I)c1O ZINC000029561853

ZINC000029561853 (search)