SMILES for Adenosine deaminase

640 SMILES Strings for Adenosine deaminase

Compound Name

SMILES String

BDBM21953

Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|

BDBM21954

Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r|

BDBM21955

Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM21956

Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r|

BDBM21957

NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r|

BDBM22917

c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N

BDBM22918

NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(6.29,.5,;7.62,1.27,;8.95,.5,;7.62,2.81,;6.27,3.55,;4.88,2.89,;3.82,4.01,;4.56,5.36,;6.07,5.08,;2.28,4.01,;1.16,5.06,;-.19,4.32,;.09,2.81,;-1.24,2.04,;-2.57,2.81,;-3.91,2.04,;-4.38,.58,;-5.92,.58,;-6.95,-.57,;-8.46,-.25,;-8.94,1.22,;-7.91,2.36,;-6.4,2.04,;-5.15,2.95,;1.62,2.62,)|

BDBM22919

c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N

BDBM22920

Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12 |r|

BDBM22921

NC(=O)c1cn(cn1)C(CO)c1ccccc1

BDBM22922

OCC(c1ccccc1)n1cnc(c1)C(O)=O

BDBM22923

COC(=O)c1cn(cn1)C(CO)c1ccccc1

BDBM22924

OCC(c1ccccc1)n1cnc(CO)c1

BDBM22925

OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|

BDBM22926

CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N

BDBM22927

CC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|

BDBM22928

CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|

BDBM22929

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3ccccc3)cc12 |r|

BDBM22930

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCc3ccccc3)cc12 |r|

BDBM22931

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCc3ccccc3)cc12 |r|

BDBM22932

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCCc3ccccc3)cc12 |r|

BDBM22933

Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|

BDBM22934

COc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|

BDBM22935

Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|

BDBM22936

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3cccnc3)cc12 |r|

BDBM22937

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)NCc3ccccc3)cc12 |r|

BDBM22938

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccccc3)cc12 |r|

BDBM22939

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCCc3ccccc3)cc12 |r|

BDBM22940

CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|

BDBM22941

CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|

BDBM22942

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccc(Cl)cc3)cc12 |r|

BDBM22943

NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2cc(OCCCc3ccccc3)ccc12 |r|

BDBM22944

CCCCCCOc1ccc2n(CC[C@H](CO)n3cnc(c3)C(N)=O)ccc2c1 |r|

BDBM22945

Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccccc3)ccc12 |r|

BDBM22946

CCCCCCOc1ccc2n(C)cc(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|

BDBM22947

Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r|

BDBM22948

C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r|

BDBM22949

C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O |r|

BDBM22950

C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(c1)C(N)=O |r|

BDBM28377

CCCCCCCCCn1cc2c(n1)nc[nH]c2=O

BDBM28378

CCCCCCCCCCn1cc2c(n1)nc[nH]c2=O

BDBM28379

CCCCCCCCCCCn1cc2c(n1)nc[nH]c2=O

BDBM28380

O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)c1ccccc1

BDBM28381

COc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28382

Fc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28383

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28384

O=C(Cc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28385

O=C(Nc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28386

COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1

BDBM28387

Fc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1

BDBM28388

FC(F)(F)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1

BDBM28389

CN(C)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1

BDBM28390

O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28391

O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)Nc1ccc(OCc2ccccc2)cc1

BDBM28392

O=C(NCc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1

BDBM28393

CCCCCC[C@H]([C@H](C)O)n2cnc1c(N)ncnc12

BDBM223291

OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 |c:16|

BDBM577194

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1ccccc1)c1ccccc1

BDBM577195

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 |r|

BDBM577196

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 |r|

BDBM577197

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1

BDBM577198

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)Nc1ccccc1)c1ccccc1

BDBM577200

CNC(=O)C(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577201

CNC(=O)[C@@H](c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577202

CNC(=O)[C@H](c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577203

CCNC(=O)C(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577204

CCOc1ccccc1CNC(=O)C(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577205

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1ccccc1F)c1ccccc1

BDBM577206

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1ccccc1OC(F)(F)F)c1ccccc1

BDBM577207

C[C@H](NC(=O)C(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1)c1ccccc1

BDBM577208

C[C@@H](NC(=O)C(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1)c1ccccc1

BDBM577209

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1CCOCC1)c1ccccc1

BDBM577210

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1

BDBM577211

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1CCCc2ccccc12)c1ccccc1

BDBM577212

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1CCc2ccccc12)c1ccccc1

BDBM577213

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)N[C@@H]1CCOc2ccccc12)c1ccccc1

BDBM577214

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)N[C@H]1CCOc2ccccc12)c1ccccc1

BDBM577215

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCCc1ccccc1)c1ccccc1

BDBM577216

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 |r|

BDBM577217

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 |r|

BDBM577218

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1cccc(n1)C1(O)CCC1)c1ccccc1

BDBM577219

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@H](C(=O)NCc1cccc(n1)C1(O)CCC1)c1ccccc1 |r|

BDBM577220

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@@H](C(=O)NCc1cccc(n1)C1(O)CCC1)c1ccccc1 |r|

BDBM577221

NC(=O)C(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577222

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1COc2ccccc12)c1ccccc1

BDBM577223

CCCC(C(=O)NCc1ccccc1OC)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577224

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1cccc(c1)C(F)(F)F)c1ccccc1

BDBM577225

Cc1cccc(CNC(=O)C(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)c1

BDBM577226

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccccc1

BDBM577227

Cc1ccc(CNC(=O)C(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1

BDBM577228

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1ccc(F)cc1)c1ccccc1

BDBM577229

COc1ccccc1CNC(=O)C(CC(C)C)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577230

COc1ccc(CNC(=O)C(c2ccccc2)n2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1

BDBM577231

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1ccc(cc1)C(F)(F)F)c1ccccc1

BDBM577232

CC(C(=O)NCCc1ccccc1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577233

CC(C(=O)NCC1(O)COC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577234

C[C@@](C(=O)NCC1(O)COC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577235

C[C@](C(=O)NCC1(O)COC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577236

CNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577237

CC(C(=O)N[C@H]1CC[C@@](C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:8.9,5.4,wD:8.8,(1.73,1.05,;2.13,-.44,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;2.61,-1.91,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-3.18,-1.15,;-4.65,-.68,;-5.55,-1.92,;-4.65,-3.17,;-3.18,-2.69,;-1.85,-3.46,;-1.85,-5,;-.52,-2.69,;-.52,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577238

C[C@@](C(=O)N[C@H]1CC[C@@](C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:1.0,8.9,5.4,wD:8.8,1.20,(1.73,1.05,;2.13,-.44,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;2.61,-1.91,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-3.18,-1.15,;-4.65,-.68,;-5.55,-1.92,;-4.65,-3.17,;-3.18,-2.69,;-1.85,-3.46,;-1.85,-5,;-.52,-2.69,;-.52,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577239

C[C@](C(=O)N[C@H]1CC[C@@](C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:8.9,5.4,1.20,wD:1.0,8.8,(1.73,1.05,;2.13,-.44,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;2.61,-1.91,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-3.18,-1.15,;-4.65,-.68,;-5.55,-1.92,;-4.65,-3.17,;-3.18,-2.69,;-1.85,-3.46,;-1.85,-5,;-.52,-2.69,;-.52,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577240

CC(C(=O)Nc1ccccc1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577241

CC(C(=O)NCc1ccccc1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577242

CC(C(=O)NC1CCC(O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577243

CC(C(=O)NC1(CO)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577244

CC(O)CNC(=O)[C@@](C)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577245

COCCNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577246

CC(C(=O)NC1CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577247

CC(C(=O)NCCN1CCOCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577248

CC(C(=O)NCc1ccc2OCOc2c1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577249

CC(C(=O)NC1CCCCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577250

COCCOc1ccc(cc1)N1CCN(CCNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1

BDBM577251

CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1

BDBM577252

COCCOc1ccc(cc1)N1CCC(CC1)NC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577253

CC(C(=O)N[C@H]1CCC[C@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577254

CC(C(=O)N[C@@H]1CCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577255

C[C@@](C(=O)N[C@@H]1CCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577256

C[C@](C(=O)N[C@@H]1CCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r|

BDBM577257

CC(C(=O)NCC1CCCO1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577258

CC(C(=O)NC[C@H]1CCCO1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577259

CC(C(=O)NC[C@@H]1CCCO1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577260

CC(C(=O)N[C@H]1CC[C@H](O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:5.4,wD:8.8,(1.93,1.24,;2.33,-.24,;3.42,.85,;3.02,2.33,;4.91,.45,;6,1.54,;5.6,3.02,;6.69,4.11,;8.18,3.71,;9.27,4.8,;8.57,2.23,;7.49,1.14,;2.81,-1.71,;4.31,-2.03,;4.79,-3.49,;3.76,-4.64,;2.25,-4.32,;1.78,-2.85,;.83,.08,;.2,1.48,;-1.33,1.32,;-1.65,-.18,;-2.99,-.95,;-4.45,-.48,;-5.36,-1.72,;-4.45,-2.97,;-2.99,-2.49,;-1.65,-3.26,;-1.65,-4.8,;-.32,-2.49,;-.32,-.95,;-6.9,-1.72,;-7.8,-2.97,;-9.27,-2.49,;-9.27,-.95,;-7.8,-.48,)|

BDBM577261

C[C@](C(=O)N[C@H]1CC[C@H](O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:5.4,1.19,wD:1.0,8.8,(1.93,1.24,;2.33,-.24,;3.42,.85,;3.02,2.33,;4.91,.45,;6,1.54,;5.6,3.02,;6.69,4.11,;8.18,3.71,;9.27,4.8,;8.57,2.23,;7.49,1.14,;2.81,-1.71,;4.31,-2.03,;4.79,-3.49,;3.76,-4.64,;2.25,-4.32,;1.78,-2.85,;.83,.08,;.2,1.48,;-1.33,1.32,;-1.65,-.18,;-2.99,-.95,;-4.45,-.48,;-5.36,-1.72,;-4.45,-2.97,;-2.99,-2.49,;-1.65,-3.26,;-1.65,-4.8,;-.32,-2.49,;-.32,-.95,;-6.9,-1.72,;-7.8,-2.97,;-9.27,-2.49,;-9.27,-.95,;-7.8,-.48,)|

BDBM577262

CC(C(=O)NC[C@@H]1CCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577263

CC(C(=O)NC[C@H]1CCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577264

CC(C(=O)NCCO)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577265

CC(C(=O)N[C@H]1CCCC[C@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577266

CC(C(=O)N[C@H]1CCCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577267

CC(C(=O)N[C@@H]1CCCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577268

C[C@@](C(=O)N[C@@H]1CCCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577269

C[C@](C(=O)N[C@@H]1CCCC[C@@H]1O)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577270

CC(C(=O)N[C@H]1CCCOC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577271

CC(C(=O)N[C@@H]1CCCOC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577272

CC(C(=O)NCC1CCCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577273

CN(C)CCNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577274

Cc1ccccc1C(C)(C(=O)NCC1(O)COC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577275

CC(C(=O)Nc1cccnc1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577276

CC(C(=O)Nc1ccncc1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577277

CC(C(=O)NCc1ccccn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577278

C[C@](C(=O)NCc1ccccn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577279

CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)C(C)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r|

BDBM577280

CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)C(C)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r|

BDBM577281

CC(C(=O)N[C@H]1CC[C@](C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:8.8,5.4,wD:8.9,(1.73,1.05,;2.13,-.44,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;2.61,-1.91,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-3.18,-1.15,;-4.65,-.68,;-5.55,-1.92,;-4.65,-3.17,;-3.18,-2.69,;-1.85,-3.46,;-1.85,-5,;-.52,-2.69,;-.52,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577282

C[C@@](C(=O)N[C@H]1CC[C@](C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:1.0,8.8,5.4,wD:8.9,1.20,(1.73,1.05,;2.13,-.44,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;2.61,-1.91,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-3.18,-1.15,;-4.65,-.68,;-5.55,-1.92,;-4.65,-3.17,;-3.18,-2.69,;-1.85,-3.46,;-1.85,-5,;-.52,-2.69,;-.52,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577283

C[C@](C(=O)NC1CCC(C)(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.20,wD:1.0,(.43,.9,;1.46,-.24,;2.61,.79,;2.29,2.29,;4.07,.31,;5.21,1.34,;6.68,.87,;7.82,1.9,;7.5,3.4,;8.03,4.85,;9,3.78,;6.04,3.88,;4.89,2.85,;2.49,-1.39,;4,-1.07,;5.03,-2.21,;4.55,-3.68,;3.05,-4,;2.02,-2.85,;.32,-1.27,;.48,-2.8,;-.93,-3.43,;-1.96,-2.29,;-3.5,-2.29,;-4.53,-3.43,;-5.94,-2.8,;-5.78,-1.27,;-4.27,-.95,;-3.5,.38,;-4.27,1.71,;-1.96,.38,;-1.19,-.95,;-7.27,-3.57,;-7.43,-5.11,;-8.94,-5.43,;-9.71,-4.09,;-8.68,-2.95,)|

BDBM577284

COc1ccccc1C(C)(C(=O)NCC1(O)COC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577285

CC(C(=O)NCC1(O)CCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577286

CC(C(=O)NCC1(O)CCCCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577287

CC(C(=O)NCCC1CCOCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577288

CC(C(=O)NCCC1CCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577289

COCCOCCNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577290

CC(C(=O)N[C@@H]1CC[C@H](O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:8.8,5.4,(1.93,1.24,;2.33,-.24,;3.42,.85,;3.02,2.33,;4.91,.45,;6,1.54,;7.49,1.14,;8.57,2.23,;8.18,3.71,;9.27,4.8,;6.69,4.11,;5.6,3.02,;2.81,-1.71,;4.31,-2.03,;4.79,-3.49,;3.76,-4.64,;2.25,-4.32,;1.78,-2.85,;.83,.08,;.2,1.48,;-1.33,1.32,;-1.65,-.18,;-2.99,-.95,;-4.45,-.48,;-5.36,-1.72,;-4.45,-2.97,;-2.99,-2.49,;-1.65,-3.26,;-1.65,-4.8,;-.32,-2.49,;-.32,-.95,;-6.9,-1.72,;-7.8,-2.97,;-9.27,-2.49,;-9.27,-.95,;-7.8,-.48,)|

BDBM577291

C[C@@](C(=O)N[C@@H]1CC[C@H](O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:1.0,8.8,5.4,wD:1.19,(1.93,1.24,;2.33,-.24,;3.42,.85,;3.02,2.33,;4.91,.45,;6,1.54,;7.49,1.14,;8.57,2.23,;8.18,3.71,;9.27,4.8,;6.69,4.11,;5.6,3.02,;2.81,-1.71,;4.31,-2.03,;4.79,-3.49,;3.76,-4.64,;2.25,-4.32,;1.78,-2.85,;.83,.08,;.2,1.48,;-1.33,1.32,;-1.65,-.18,;-2.99,-.95,;-4.45,-.48,;-5.36,-1.72,;-4.45,-2.97,;-2.99,-2.49,;-1.65,-3.26,;-1.65,-4.8,;-.32,-2.49,;-.32,-.95,;-6.9,-1.72,;-7.8,-2.97,;-9.27,-2.49,;-9.27,-.95,;-7.8,-.48,)|

BDBM577292

C[C@](C(=O)NC1CCC(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.19,wD:1.0,(.13,-.3,;-1.21,-1.07,;-2.47,-1.95,;-2.35,-3.48,;-3.86,-1.29,;-5.35,-1.69,;-6.83,-1.3,;-8.32,-1.69,;-9.09,-.35,;-9.09,1.19,;-7.61,-.74,;-6.12,-.35,;-1.31,.46,;-.03,1.32,;-.13,2.86,;-1.51,3.54,;-2.79,2.68,;-2.69,1.14,;.17,-1.77,;.41,-3.29,;1.93,-3.54,;2.63,-2.16,;4.12,-1.76,;5.41,-2.6,;6.6,-1.63,;6.05,-.2,;4.51,-.28,;3.43,.81,;3.82,2.3,;1.94,.41,;1.54,-1.07,;8.09,-2.03,;8.64,-3.47,;10.18,-3.39,;10.58,-1.9,;9.29,-1.06,)|

BDBM577293

CC(C(=O)Nc1ccccn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577294

Cc1nccnc1-c1nc2c3cnn(c3nc(N)n2n1)C(C)(C(=O)NCC1(O)COC1)c1ccccc1

BDBM577295

CC(C(=O)NCC1COC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577296

CC(C(=O)NCC1(O)CCOCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577297

CNCCNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577298

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCC1(O)COC1)c1ccccc1

BDBM577299

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@@H](C(=O)NCC1(O)COC1)c1ccccc1 |r|

BDBM577300

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)[C@H](C(=O)NCC1(O)COC1)c1ccccc1 |r|

BDBM577301

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(=C\c1ccccc1)\C(=O)NCc1ccncc1

BDBM577302

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(=C\c1ccccc1)\C(=O)NCc1cccnc1

BDBM577303

COC(=O)C(C)(c1cccc(C)c1)n1ncc2c(NNC(=O)c3ccco3)nc(N)nc12

BDBM577304

COC(=O)C(C)(c1ccc(OC)cc1)n1ncc2c(NNC(=O)c3ccco3)nc(N)nc12

BDBM577305

CC(C(=O)NCC1(O)COC1)(c1ccccc1F)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577306

CC(C(=O)NCC1(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577307

CCOC(=O)C(C)(c1cccnc1)n1ncc2c(NNC(=O)c3ccco3)nc(N)nc12

BDBM577308

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)N[C@@H]1CCC[C@@H]1O)c1ccccc1

BDBM577309

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)N[C@H]1CCCC[C@H]1O)c1ccccc1

BDBM577310

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NC1CCC(O)CC1)c1ccccc1 |(3.9,8.86,;3.5,7.38,;1.97,7.21,;1.34,5.81,;-.12,5.33,;-.12,3.79,;1.34,3.32,;2.25,4.56,;3.78,4.72,;4.92,3.69,;6.26,4.46,;5.94,5.97,;4.4,6.13,;7.74,4.06,;8.3,2.63,;9.83,2.71,;10.23,4.19,;8.94,5.03,;-1.61,5.73,;-2.7,4.64,;-2.3,3.15,;-4.19,5.04,;-5.68,4.64,;-7.16,5.03,;-8.65,4.64,;-9.42,5.98,;-9.42,7.52,;-7.94,5.59,;-6.45,5.98,;-2.01,7.22,;-.92,8.31,;-1.32,9.79,;-2.81,10.19,;-3.9,9.1,;-3.5,7.62,)|

BDBM577311

COC(=O)C1(CCCc2ccccc12)n1ncc2c(NNC(=O)c3ccco3)nc(N)nc12

BDBM577312

CC(C(=O)N[C@@H]1CC[C@@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577313

CC(C(=O)N[C@H]1CC[C@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577314

C[C@]1(O)CC[C@@H](CC1)NC(=O)C(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:1.0,5.8,wD:1.1,(9.46,3.91,;7.98,3.51,;8.38,5,;6.49,3.91,;5.4,2.82,;5.8,1.34,;7.29,.94,;8.38,2.03,;4.71,.25,;3.22,.65,;2.82,2.13,;2.13,-.44,;2.61,-1.91,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-3.18,-1.15,;-4.65,-.68,;-5.55,-1.92,;-4.65,-3.17,;-3.18,-2.69,;-1.85,-3.46,;-1.85,-5,;-.52,-2.69,;-.52,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577315

Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(\C=C\c1ccccc1)C(=O)NCC1CCOCC1

BDBM577316

CC(C(=O)NC1CCOCC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577317

CC(C(=O)NC1CCCC(O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577318

CC(C(=O)N[C@@H]1CNC(=O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577319

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(C)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577320

CC(C(=O)N[C@H]1C[C@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:5.4,wD:7.7,(2.25,1.56,;2.65,.08,;3.74,1.16,;3.34,2.65,;5.23,.77,;6.32,1.86,;6.32,3.4,;7.86,3.4,;8.95,4.48,;7.86,1.86,;3.13,-1.39,;4.63,-1.71,;5.11,-3.17,;4.08,-4.32,;2.57,-4,;2.1,-2.53,;1.15,.4,;.52,1.8,;-1.01,1.64,;-1.33,.14,;-2.67,-.63,;-4.13,-.16,;-5.04,-1.4,;-4.13,-2.65,;-2.67,-2.17,;-1.33,-2.94,;-1.33,-4.48,;0,-2.17,;0,-.63,;-6.58,-1.4,;-7.48,-2.65,;-8.95,-2.17,;-8.95,-.63,;-7.48,-.16,)|

BDBM577321

C[C@](C(=O)N[C@H]1C[C@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:5.4,1.17,wD:1.0,7.7,(2.25,1.56,;2.65,.08,;3.74,1.16,;3.34,2.65,;5.23,.77,;6.32,1.86,;6.32,3.4,;7.86,3.4,;8.95,4.48,;7.86,1.86,;3.13,-1.39,;4.63,-1.71,;5.11,-3.17,;4.08,-4.32,;2.57,-4,;2.1,-2.53,;1.15,.4,;.52,1.8,;-1.01,1.64,;-1.33,.14,;-2.67,-.63,;-4.13,-.16,;-5.04,-1.4,;-4.13,-2.65,;-2.67,-2.17,;-1.33,-2.94,;-1.33,-4.48,;0,-2.17,;0,-.63,;-6.58,-1.4,;-7.48,-2.65,;-8.95,-2.17,;-8.95,-.63,;-7.48,-.16,)|

BDBM577322

CCC(C(=O)OC)(c1ccccc1)n1ncc2c(NNC(=O)c3ccco3)nc(N)nc12

BDBM577323

CC(C(=O)N[C@@H]1C[C@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:7.7,5.4,(2.25,1.56,;2.65,.08,;3.74,1.16,;3.34,2.65,;5.23,.77,;6.32,1.86,;7.86,1.86,;7.86,3.4,;8.95,4.48,;6.32,3.4,;3.13,-1.39,;4.63,-1.71,;5.11,-3.17,;4.08,-4.32,;2.57,-4,;2.1,-2.53,;1.15,.4,;.52,1.8,;-1.01,1.64,;-1.33,.14,;-2.67,-.63,;-4.13,-.16,;-5.04,-1.4,;-4.13,-2.65,;-2.67,-2.17,;-1.33,-2.94,;-1.33,-4.48,;0,-2.17,;0,-.63,;-6.58,-1.4,;-7.48,-2.65,;-8.95,-2.17,;-8.95,-.63,;-7.48,-.16,)|

BDBM577324

C[C@](C(=O)N[C@@H]1C[C@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:7.7,5.4,1.17,wD:1.0,(2.25,1.56,;2.65,.08,;3.74,1.16,;3.34,2.65,;5.23,.77,;6.32,1.86,;7.86,1.86,;7.86,3.4,;8.95,4.48,;6.32,3.4,;3.13,-1.39,;4.63,-1.71,;5.11,-3.17,;4.08,-4.32,;2.57,-4,;2.1,-2.53,;1.15,.4,;.52,1.8,;-1.01,1.64,;-1.33,.14,;-2.67,-.63,;-4.13,-.16,;-5.04,-1.4,;-4.13,-2.65,;-2.67,-2.17,;-1.33,-2.94,;-1.33,-4.48,;0,-2.17,;0,-.63,;-6.58,-1.4,;-7.48,-2.65,;-8.95,-2.17,;-8.95,-.63,;-7.48,-.16,)|

BDBM577325

CC(C(=O)N[C@H]1C[C@@](C)(O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:7.8,5.4,wD:7.7,(2.05,1.36,;2.45,-.12,;3.54,.97,;3.14,2.45,;5.03,.57,;6.12,1.66,;6.12,3.2,;7.66,3.2,;9.15,3.59,;8.06,4.68,;7.66,1.66,;2.93,-1.59,;4.43,-1.91,;4.91,-3.37,;3.88,-4.52,;2.37,-4.2,;1.9,-2.73,;.95,.2,;.32,1.6,;-1.21,1.44,;-1.53,-.06,;-2.87,-.83,;-4.33,-.36,;-5.24,-1.6,;-4.33,-2.85,;-2.87,-2.37,;-1.53,-3.14,;-1.53,-4.68,;-.2,-2.37,;-.2,-.83,;-6.78,-1.6,;-7.68,-2.85,;-9.15,-2.37,;-9.15,-.83,;-7.68,-.36,)|

BDBM577326

C[C@](C(=O)N[C@H]1C[C@](C)(O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:7.7,5.4,1.18,wD:1.0,7.8,(2.05,1.36,;2.45,-.12,;3.54,.97,;3.14,2.45,;5.03,.57,;6.12,1.66,;6.12,3.2,;7.66,3.2,;9.15,3.59,;8.06,4.68,;7.66,1.66,;2.93,-1.59,;4.43,-1.91,;4.91,-3.37,;3.88,-4.52,;2.37,-4.2,;1.9,-2.73,;.95,.2,;.32,1.6,;-1.21,1.44,;-1.53,-.06,;-2.87,-.83,;-4.33,-.36,;-5.24,-1.6,;-4.33,-2.85,;-2.87,-2.37,;-1.53,-3.14,;-1.53,-4.68,;-.2,-2.37,;-.2,-.83,;-6.78,-1.6,;-7.68,-2.85,;-9.15,-2.37,;-9.15,-.83,;-7.68,-.36,)|

BDBM577327

CC(C(=O)N[C@H]1COC[C@@H]1O)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577328

C[C@](C(=O)N[C@H]1COC[C@@H]1O)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577329

CC(C(=O)N[C@H]1COC[C@H]1O)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577330

C[C@](C(=O)N[C@H]1COC[C@H]1O)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577331

C[C@@](C(O)=O)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577332

C[C@](C(O)=O)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577333

Cc1cccc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)n1

BDBM577334

Cc1cccc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)n1

BDBM577335

Cc1ccc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)nc1

BDBM577336

Cc1ccc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)nc1

BDBM577337

Cc1ccnc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)c1

BDBM577338

Cc1ccnc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)c1

BDBM577339

Cc1cccnc1CNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577340

Cc1cccnc1CNC(=O)[C@@](C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577341

COc1cccc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)n1

BDBM577342

COc1cccc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)n1

BDBM577343

COc1ccc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)nc1

BDBM577344

COc1ccnc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)c1

BDBM577345

COc1ccnc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)c1

BDBM577346

COc1cccnc1CNC(=O)C(C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577347

COc1cccnc1CNC(=O)[C@@](C)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577348

CC(C(=O)NCc1cccc(F)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577349

CC(C(=O)NCc1ccc(F)cn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577350

C[C@](C(=O)NCc1ccc(F)cn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577351

CC(C(=O)NCc1cc(F)ccn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577352

C[C@](C(=O)NCc1cc(F)ccn1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577353

CC(C(=O)NCc1ncccc1F)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577354

C[C@](C(=O)NCc1ncccc1F)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577355

CC(C(=O)N[C@H]1CCC[C@@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577356

CC(C(=O)NC1CCC(=O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577357

C[C@](C(=O)NC1CCC(=O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577358

CC(C(=O)NCc1cccc(n1)C1(O)CCC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577359

CC(Cc1ccccc1)(C(=O)NCC1(O)COC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577360

COC(=O)C(C)(c1ccccc1)n1ncc2c(NNC(=O)c3nccs3)nc(N)nc12

BDBM577361

CC(C(=O)N[C@@H]1CC[C@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577362

CC(C(=O)N[C@H]1CC[C@@H](O)C1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577363

COC(=O)C(C)(c1cccc(OC)c1)n1ncc2c(Cl)nc(N)nc12

BDBM577364

CC(C)(C(=O)NCC1(O)COC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577365

COc1ccccc1C(C)(C(=O)N[C@@H]1CC[C@H](O)CC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |wU:16.17,13.13,(6.87,-1.12,;5.35,-.88,;4.31,-2.03,;4.79,-3.49,;3.76,-4.64,;2.25,-4.32,;1.78,-2.85,;2.81,-1.71,;2.33,-.24,;1.93,1.24,;3.42,.85,;3.02,2.33,;4.91,.45,;6,1.54,;7.49,1.14,;8.57,2.23,;8.18,3.71,;9.27,4.8,;6.69,4.11,;5.6,3.02,;.83,.08,;.2,1.48,;-1.33,1.32,;-1.65,-.18,;-.32,-.95,;-.32,-2.49,;-1.65,-3.26,;-1.65,-4.8,;-2.99,-2.49,;-4.45,-2.97,;-5.36,-1.72,;-4.45,-.48,;-2.99,-.95,;-6.9,-1.72,;-7.8,-2.97,;-9.27,-2.49,;-9.27,-.95,;-7.8,-.48,)|

BDBM577366

COc1ccccc1C(C)(C(=O)N[C@H]1CC[C@](C)(O)CC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |wU:16.17,13.13,wD:16.18,(6.67,-1.32,;5.15,-1.08,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;2.61,-1.91,;2.13,-.44,;1.73,1.05,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-.52,-1.15,;-.52,-2.69,;-1.85,-3.46,;-1.85,-5,;-3.18,-2.69,;-4.65,-3.17,;-5.55,-1.92,;-4.65,-.68,;-3.18,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)|

BDBM577367

C[C@](C(=O)NCc1ncccc1C(F)(F)F)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577368

C[C@](C(=O)NCc1ccc(cn1)C(F)(F)F)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577369

C[C@](C(=O)NCc1cc(ccn1)C(F)(F)F)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577370

C[C@](C(=O)NCc1cccc(n1)C(F)(F)F)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577371

C[C@](C(=O)NC1CCSCC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

BDBM577372

C[C@](C(=O)NC1CCS(=O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |r|

BDBM577373

C[C@](C(=O)N[C@H]1CC[S@](=O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577374

CN1CCN(CCNC(=O)C(C)(c2ccccc2)n2ncc3c4nc(nn4c(N)nc23)-c2ccco2)CC1

BDBM577375

CN1CCN(CCNC(=O)[C@@](C)(c2ccccc2)n2ncc3c4nc(nn4c(N)nc23)-c2ccco2)CC1

BDBM577376

C[C@](C(=O)NCCN1CCC(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1

BDBM577377

C[C@](C(=O)NCCC1CCC(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |wU:1.21,wD:1.0,(.65,.9,;1.04,-.59,;2.13,.5,;1.73,1.99,;3.62,.1,;4.71,1.19,;6.2,.79,;7.29,1.88,;6.89,3.37,;7.98,4.46,;9.46,4.06,;10.55,5.15,;9.86,2.57,;8.77,1.48,;1.52,-2.05,;3.03,-2.37,;3.5,-3.84,;2.47,-4.98,;.97,-4.66,;.49,-3.2,;-.46,-.27,;-1.09,1.14,;-2.62,.98,;-2.94,-.53,;-1.61,-1.3,;-1.61,-2.84,;-2.94,-3.61,;-2.94,-5.15,;-4.27,-2.84,;-5.74,-3.31,;-6.64,-2.07,;-5.74,-.82,;-4.27,-1.3,;-8.18,-2.07,;-9.09,-3.31,;-10.55,-2.84,;-10.55,-1.3,;-9.09,-.82,)|

BDBM577378

Cc1cccc(CCNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)n1

BDBM577379

CC(=O)O[C@@H]1CC[C@@H](CC1)NC(=O)[C@@](C)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |wU:13.22,7.10,4.3,wD:13.14,(10.55,5.15,;9.46,4.06,;9.86,2.57,;7.98,4.46,;6.89,3.37,;5.4,3.77,;4.31,2.68,;4.71,1.19,;6.2,.79,;7.29,1.88,;3.62,.1,;2.13,.5,;1.73,1.99,;1.04,-.59,;.65,.9,;1.52,-2.05,;3.03,-2.37,;3.5,-3.84,;2.47,-4.98,;.97,-4.66,;.49,-3.2,;-.46,-.27,;-1.09,1.14,;-2.62,.98,;-2.94,-.53,;-4.27,-1.3,;-5.74,-.82,;-6.64,-2.07,;-5.74,-3.31,;-4.27,-2.84,;-2.94,-3.61,;-2.94,-5.15,;-1.61,-2.84,;-1.61,-1.3,;-8.18,-2.07,;-9.09,-3.31,;-10.55,-2.84,;-10.55,-1.3,;-9.09,-.82,)|

BDBM50007213

Nc1ncnc2n(cnc12)C1CNC(CO)O1

BDBM50451100

CC(C)(O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc2c(N)ncnc12 |r|

BDBM50451133

C[C@H](O)[C@@H](CSc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r|

BDBM50451134

C[C@H](O)[C@@H](CSc1cccc(C)c1)n1cnc2c(N)ncnc12 |r|

BDBM50451135

C[C@H](O)[C@@H](CSc1ccccc1C)n1cnc2c(N)ncnc12 |r|

BDBM50451136

C[C@H](O)[C@@H](CSc1ccccc1)n1cnc2c(N)ncnc12 |r|

BDBM50451137

CCCCSC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|

BDBM50451138

C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N1CCCC1)n1cnc2c(N)ncnc12 |r|

BDBM50451139

C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)NC1CCCC1)n1cnc2c(N)ncnc12 |r|

BDBM50451140

C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N(C)C)n1cnc2c(N)ncnc12 |r|

BDBM50451141

CNC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r|

BDBM50451142

C[C@H](O)[C@@H](CCc1cccc(c1)C(N)=O)n1cnc2c(N)ncnc12 |r|

BDBM50451158

C[C@H](O)[C@@H](CCc1cccc(CO)c1)n1cnc2c(N)ncnc12 |r|

BDBM50451159

C[C@H](O)[C@@H](CCc1cccc(c1)C(O)=O)n1cnc2c(N)ncnc12 |r|

BDBM50451164

C[C@H](O)[C@@H](CCc1cccc(c1)-c1cnccn1)n1cnc2c(N)ncnc12 |r|

BDBM50451165

C[C@H](O)[C@@H](CCc1cccc(c1)-c1ccccn1)n1cnc2c(N)ncnc12 |r|

BDBM50451166

C[C@H](O)[C@@H](CCc1cccc(c1)-c1nccs1)n1cnc2c(N)ncnc12 |r|

BDBM50451167

C[C@H](O)[C@@H](CCC1CCCCC1)n1cnc2c(N)ncnc12 |r|

BDBM50451168

CCc1ccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)s1 |r|

BDBM50451169

C[C@H](O)[C@@H](CCc1cccc(F)c1)n1cnc2c(N)ncnc12 |r|

BDBM50451170

C[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc2c(N)ncnc12 |r|

BDBM50451171

C[C@H](O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc2c(N)ncnc12 |r|

BDBM50451172

C[C@H](O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc(c1)C(N)=O |r|

BDBM50451173

COC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r|

BDBM50451174

C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12 |r|

BDBM50451177

C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r|

BDBM50451178

C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc(c1)C(N)=O |r|

BDBM50088426

c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N

BDBM50028485

CC(O)C(OC(C=O)n1cnc2c(N)ncnc12)(C=O)C=O

BDBM50404373

Nc1ncnc2n(cnc12)[C@@H](O[C@@H](C=C)C=O)C=O |r|

BDBM50404374

Nc1ncnc2n(cnc12)[C@H](O[C@H](C=C)C=O)C=O |r|

BDBM50421659

CC(O)[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O

BDBM50029129

CC(O)[C@@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O

BDBM50028246

CCCCCCC(C(C)O)n1cnc2cncnc12

BDBM50421705

CCCCCCC(C(C)O)n1cnc2C(NCNc12)C=O

BDBM50034908

CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|

BDBM50421706

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CO)ncnc12

BDBM50029134

Nc1ncnc2n(cnc12)[C@H](OCC=O)C=O

BDBM50421667

C[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O

BDBM50029130

Nc1ncnc2n(cnc12)[C@H](O[C@H](CO)C=O)C=O

BDBM50240434

Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O

BDBM50029136

Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O

BDBM50029133

Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O

BDBM50029650

Nc1ncnc2n(COCCO)cnc12

BDBM50029651

Nc1ncnc2n(COCCP(O)(O)=O)cnc12

BDBM50037904

CCCCCCC(C(C)O)[N+]1([O-])C([O-])=[NH+]c2c1ncnc2N |c:13|

BDBM50037902

CCCCCC[C@H]([C@H](C)O)n1c2ncnc(N)c2[nH]c1=O

BDBM50037903

CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C=Nc2c1ncnc2N |c:12|

BDBM50044019

CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc12

BDBM50044020

CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc12

BDBM50044021

CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)nccc12

BDBM50060165

c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

BDBM50060166

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc(NC=O)c1

BDBM50070640

C[C@H](O)[C@@H](Cc1ccc(C)cc1)n1cnc2c(N)ncnc12

BDBM50070641

C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12

BDBM50070643

C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12

BDBM50070642

C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12

BDBM50070644

CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1

BDBM50070645

C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12

BDBM50070646

C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12

BDBM50422343

CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|

BDBM50367032

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O

BDBM50519494

CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:19|

BDBM50519495

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@@H](O)CN=CNc12 |c:17|

BDBM50087304

CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14|

BDBM50087291

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)(c1ccccc1)c1ccccc1 |c:4|

BDBM50087292

OCCn1cnc2C(O)CNC=Nc12 |c:11|

BDBM50087293

OCCCCCn1cnc2C(O)CNC=Nc12 |c:14|

BDBM50087294

CC(C)(CCCCn1cnc2C(O)CNC=Nc12)C(O)=O |c:15|

BDBM50087296

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(Br)cc1)C(O)=O |c:4|

BDBM50087297

OC1CNC=Nc2c1ncn2Cc1ccccc1 |c:4|

BDBM50087298

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1ccccc1 |c:4|

BDBM50087302

OC1CNC=Nc2c1ncn2CCCC#N |c:4|

BDBM50087303

OC1CNC=Nc2c1ncn2CCCCCCC#N |c:4|

BDBM50087307

CCCCCCCn1cnc2C(O)CNC=Nc12 |c:15|

BDBM50087299

CCOC(=O)CCCCCn1cnc2C(O)CNC=Nc12 |c:18|

BDBM50087295

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1Br)C(O)=O |c:4|

BDBM50087311

COC(=O)CCCCCCCn1cnc2C(O)CNC=Nc12 |c:19|

BDBM50087313

OC1CNC=Nc2c1ncn2CCCCCCCC(O)=O |c:4|

BDBM50087305

OC1CNC=Nc2c1ncn2CCCCCCP(O)(O)=O |c:4|

BDBM50087315

OCCCn1cnc2C(O)CNC=Nc12 |c:12|

BDBM50087317

CCCCCCCCn1cnc2C(O)CNC=Nc12 |c:16|

BDBM50087316

OC1CNC=Nc2c1ncn2CCCCCP(O)(O)=O |c:4|

BDBM50087320

CCOC(=O)CCCCCCn1cnc2C(O)CNC=Nc12 |c:19|

BDBM50087318

CCCCn1cnc2C(O)CNC=Nc12 |c:12|

BDBM50087301

OC1CNC=Nc2c1ncn2COCCCC([O-])=O |c:4|

BDBM50087322

OC1CNC=Nc2c1ncn2CCCCCc1nnn[nH]1 |c:4|

BDBM50087323

OC1CNC=Nc2c1ncn2CCCCC#N |c:4|

BDBM50087328

OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Br)c1)C(O)=O |c:4|

BDBM50087324

CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:19|

BDBM50087325

OC1CNC=Nc2c1ncn2CCCCCCC(O)=O |c:4|

BDBM50087327

CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)c1ccccc1 |c:18|

BDBM50087326

OCCCCn1cnc2C(O)CNC=Nc12 |c:13|

BDBM50087314

CCCn1cnc2C(O)CNC=Nc12 |c:11|

BDBM50087290

OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Cl)c1)C(O)=O |c:4|

BDBM50087319

OC1CNC=Nc2c1ncn2CCCCC([O-])=O |c:4|

BDBM50087306

COP(O)(=O)CCCCCCn1cnc2C(O)CNC=Nc12 |c:19|

BDBM50087329

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1 |c:4|

BDBM50087308

NC(=O)CCCCCn1cnc2C(O)CNC=Nc12 |c:16|

BDBM50087312

CCCCCCn1cnc2C(O)CNC=Nc12 |c:14|

BDBM50087334

OC1CNC=Nc2c1ncn2CCCCCC([O-])=O |c:4|

BDBM50087331

CC(C)CC(CCCCn1cnc2C(O)CNC=Nc12)(CC(C)C)C(O)=O |c:17|

BDBM50087330

COC(=O)CCCCn1cnc2C(O)CNC=Nc12 |c:16|

BDBM50087300

OCCCCCCn1cnc2C(O)CNC=Nc12 |c:15|

BDBM50087321

OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O |c:4|

BDBM50087332

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O |c:4|

BDBM50087333

CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)c1cccc(Br)c1 |c:18|

BDBM50087309

CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:18|

BDBM50087335

CCn1cnc2C(O)CNC=Nc12 |c:10|

BDBM50087310

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(Cl)cc1)C(O)=O |c:4|

BDBM50087340

OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccc(Cl)cc1)C(O)=O |c:4|

BDBM50087336

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)cc(c1)-c1ccccc1 |c:18|

BDBM50087343

Cc1ccc(cc1CCCn1cnc2C(O)CNC=Nc12)C([O-])=O |c:19|

BDBM50087344

OC1CNC=Nc2c1ncn2CCCc1cccc(F)c1C(O)=O |c:4|

BDBM50087346

COC(=O)c1ccc(OC)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|

BDBM50087348

OC1CNC=Nc2c1ncn2CCc1ccc(F)c(c1)C(O)=O |c:4|

BDBM50087352

Cc1ccc(CCCn2cnc3C(O)CNC=Nc23)c(c1)C(O)=O |c:16|

BDBM50087349

OC1CNC=Nc2c1ncn2CCOc1cccc(c1)C([O-])=O |c:4|

BDBM50087353

OC1CNC=Nc2c1ncn2Cc1ccc(o1)C(O)=O |c:4|

BDBM50087356

COc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:19|

BDBM50087355

COC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:21|

BDBM50087354

COC(=O)c1cccc(C(C)C)c1CCCn1cnc2C(O)CNC=Nc12 |c:25|

BDBM50087362

CCOC(=O)c1cc(Br)cc(CCn2cnc3C(O)CNC=Nc23)c1 |c:21|

BDBM50087363

OCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:19|

BDBM50087358

COC(=O)c1ccc2ccccc2c1CCCn1cnc2C(O)CNC=Nc12 |c:27|

BDBM50087350

CC(C)c1cccc(C(O)=O)c1SCCn1cnc2C(O)CNC=Nc12 |c:24|

BDBM50087337

COc1ccc(cc1CCCn1cnc2C(O)CNC=Nc12)C(O)=O |c:20|

BDBM50087365

CNOC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|

BDBM50087368

OC1CNC=Nc2c1ncn2CCc1cccc(CC([O-])=O)c1 |c:4|

BDBM50087371

OC1CNC=Nc2c1ncn2CCCc1ccccc1C([O-])=O |c:4|

BDBM50087370

CCc1cc(CCn2cnc3C(O)CNC=Nc23)cc(c1)C(O)=O |c:15|

BDBM50087364

COC(=O)c1ccc(C)cc1CCCn1cnc2C(O)CNC=Nc12 |c:23|

BDBM50087372

COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12 |c:23|

BDBM50087376

OC1CNC=Nc2c1ncn2Cc1ccc(CC([O-])=O)cc1 |c:4|

BDBM50087374

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)ccc1C |c:18|

BDBM50087373

COC(=O)c1cccc(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20|

BDBM50087379

OC1CNC=Nc2c1ncn2CCSc1ccccc1C([O-])=O |c:4|

BDBM50087359

COC(=O)c1cccc(CCn2cnc3C(O)CNC=Nc23)c1 |c:19|

BDBM50087357

OC1CNC=Nc2c1ncn2CCc1ccc(s1)C(O)=O |c:4|

BDBM50087382

OC1CNC=Nc2c1ncn2CCOc1ccccc1C([O-])=O |c:4|

BDBM50087386

COC(=O)c1ccc(OC)c(CCn2cnc3C(O)CNC=Nc23)c1 |c:21|

BDBM50087387

CCCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(=O)OC |c:20|

BDBM50087366

OC1CNC=Nc2c1ncn2Cc1ccc(cc1)C([O-])=O |c:4|

BDBM50087345

CCCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:20|

BDBM50087385

OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccccc1)C(O)=O |c:4|

BDBM50087384

COC(=O)c1ccccc1OCCn1cnc2C(O)CNC=Nc12 |c:22|

BDBM50087341

OC1CNC=Nc2c1ncn2CCCc1ccc(o1)C(O)=O |c:4|

BDBM50087388

Cc1ccc(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:15|

BDBM50087381

COC(=O)c1c(F)cccc1CCCn1cnc2C(O)CNC=Nc12 |c:23|

BDBM50087338

OC1CNC=Nc2c1ncn2CCc1cc(Br)cc(c1)C(O)=O |c:4|

BDBM50087383

OC1CNC=Nc2c1ncn2CCCc1cccc(c1)C([O-])=O |c:4|

BDBM50087391

Cc1ccc(C(O)=O)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20|

BDBM50087347

OC1CNC=Nc2c1ncn2CCc1ccc(Cl)c(c1)C(O)=O |c:4|

BDBM50087394

OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1cccc(Cl)c1)C(O)=O |c:4|

BDBM50087339

OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccc(F)cc1)C(O)=O |c:4|

BDBM50087390

CC(C)c1cccc(C(O)=O)c1CCCn1cnc2C(O)CNC=Nc12 |c:24|

BDBM50087351

COC(=O)c1ccccc1CCCn1cnc2C(O)CNC=Nc12 |c:22|

BDBM50087342

CCOC(=O)c1cc(CC)cc(CCn2cnc3C(O)CNC=Nc23)c1 |c:22|

BDBM50087389

CCOC(=O)c1ccc(C)c(CCn2cnc3C(O)CNC=Nc23)c1 |c:21|

BDBM50087395

COC(=O)c1ccccc1SCCn1cnc2C(O)CNC=Nc12 |c:22|

BDBM50087361

Cc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:18|

BDBM50087375

OC1CNC=Nc2c1ncn2CC#Cc1cccc(c1)C([O-])=O |c:4|

BDBM50087396

COC(=O)c1ccc(Cn2cnc3C(O)CNC=Nc23)cc1 |c:17|

BDBM50087378

OC1CNC=Nc2c1ncn2Cc1cccc(CC(O)=O)c1 |c:4|

BDBM50087360

CCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:19|

BDBM50087397

OC1CNC=Nc2c1ncn2CCCc1ccsc1C(O)=O |c:4|

BDBM50087398

Cc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(=O)OCc1ccccc1 |c:18|

BDBM50087369

OC1CNC=Nc2c1ncn2CCc1csc(c1)C(O)=O |c:4|

BDBM50087367

COC(=O)c1ccc(CCn2cnc3C(O)CNC=Nc23)cc1 |c:18|

BDBM50087380

COC(=O)Cc1ccc(Cn2cnc3C(O)CNC=Nc23)cc1 |c:18|

BDBM50087392

CCOC(=O)Cc1cccc(Cn2cnc3C(O)CNC=Nc23)c1 |c:20|

BDBM50087377

OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O |c:4|

BDBM50087393

OC1CNC=Nc2c1ncn2CCCc1c(ccc2ccccc12)C(O)=O |c:4|

BDBM50087400

CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:14|

BDBM50087401

OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O |c:4|

BDBM50087404

CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)OCc1ccccc1 |c:14|

BDBM50087405

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4|

BDBM50087406

CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(O)=O |c:14|

BDBM50087408

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:4|

BDBM50087414

CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18|

BDBM50087413

CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18|

BDBM50087412

OC1CNC=Nc2c1ncn2CCCCCC(O)=O |c:4|

BDBM50087399

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O |c:4|

BDBM50087410

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccccc1 |c:4|

BDBM50087417

OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:4|

BDBM50087409

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4|

BDBM50087415

CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O |c:14|

BDBM50087411

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O |c:4|

BDBM50087416

CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC |c:19|

BDBM50087402

CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(c1)C(F)(F)F)C(O)=O |c:14|

BDBM50087403

CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1 |c:14|

BDBM50087418

CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1 |c:14|

BDBM50087407

OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4|

BDBM50096159

OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(=O)OCc1ccccc1 |c:4|

BDBM50096164

OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12 |c:4|

BDBM50096165

OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O |c:4|

BDBM50096160

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cccc(c2c1)C(F)(F)F |c:18|

BDBM50096158

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cc(Br)ccc2c1 |c:18|

BDBM50096166

OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(OCc2ccccc2)c2CCCCc12 |c:4|

BDBM50096162

OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(=O)OCc2ccccc2)c(Cl)c2CCCCc12 |c:4|

BDBM50096157

CCOC(=O)c1c(Cl)c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Cl |c:19|

BDBM50096167

COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O |c:14|

BDBM50096170

COc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:21|

BDBM50096171

CC(C)Oc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:23|

BDBM50096163

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OC |c:18|

BDBM50096172

OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4|

BDBM50096175

OC1CNC=Nc2c1ncn2CCc1cc(cc2c(cccc12)C(F)(F)F)C(O)=O |c:4|

BDBM50096169

OC1CNC=Nc2c1ncn2CCc1cc(cc2ccccc12)C(O)=O |c:4|

BDBM50096161

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OC(C)C |c:18|

BDBM50096174

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18|

BDBM50096168

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OCc1ccccc1 |c:18|

BDBM50096176

CCOC(=O)c1cc2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)c1OC |c:25|

BDBM50096178

CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1 |c:18|

BDBM50096177

OC1CNC=Nc2c1ncn2CCc1cc(cc2ccc(Br)cc12)C(O)=O |c:4|

BDBM50096173

COC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2ccccc2c1 |c:17|

BDBM50099682

COC1=C(OC)C(O)(CCn2cnc3c(N)ncnc23)OC1=O |c:2|

BDBM50099681

COC1=C(OC)\C(OC1=O)=C\Cn1cnc2c(N)ncnc12 |c:2|

BDBM50170632

NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(14.92,-6.19,;13.82,-5.13,;12.34,-5.56,;14.19,-3.64,;13.07,-2.57,;11.56,-2.83,;10.83,-1.48,;11.91,-.36,;13.3,-1.03,;9.32,-1.27,;8.59,.09,;7.08,-.17,;6.87,-1.69,;5.51,-2.41,;4.21,-1.59,;2.85,-2.32,;2.64,-3.86,;1.12,-4.11,;.29,-5.44,;-1.25,-5.37,;-1.98,-4,;-1.14,-2.71,;.38,-2.76,;1.45,-1.64,;8.24,-2.36,)|

BDBM50170633

C[C@H](O)[C@@H](CCc1cccc2nc(oc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O

BDBM50170634

C[C@H](O)[C@@H](CCc1cccc2oc(nc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50288071

CCCC#CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12

BDBM50288072

CCC\C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12

BDBM50288073

CCC\C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12

BDBM50303854

CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12

BDBM50356463

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(nc12)-n1ccnn1 |r|

BDBM50106015

Nc1nc(N)c2NCN(COCCO)c2c(=N)n1

BDBM50404651

CCCCCC[C@@H]([C@H](C)O)n1cnc2c(N)ncnc12

BDBM50404652

CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N

BDBM50028152

CCC1=Nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)[C@H](O)CN1 |t:2|

BDBM50028153

CC1=Nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)[C@H](O)CN1 |t:1|

BDBM50028156

OCCOCn1cnc2C(O)CNC=Nc12 |c:13|

BDBM82055

Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335291

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12

BDBM50011575

CCCCCCC(C(C)O)n1cnc2c(N)nccc12

BDBM50367208

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2cccnc12 |r|

BDBM50028245

CCCCCCC(C(C)O)n1cnc2cccnc12

BDBM50011591

CCCCCCC(C(C)O)n1cnc2c(N)ccnc12

BDBM50028247

CCCCCCC(C(C)O)n1cnc2cnccc12

BDBM50367237

C[C@@H](O)c1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1C |r|

BDBM50226311

C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

BDBM50421823

OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|

BDBM50366815

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O

BDBM50011566

CCCCCCC(C(C)O)n1ccc2c(N)ncnc12

BDBM50011565

CCCCCCC(C(C)O)n1cnc2c(N)cccc12

BDBM50011590

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCCO

BDBM50011577

CCCCCCC(C(C)O)n1cnc(c1)C(N)=O

BDBM50011580

CCCCCCC(C(C)O)n1cnc(C(N)=O)c1N

BDBM50011576

CCCCCCC(C(C)O)n1cnc(C(=O)OCC)c1N

BDBM50011582

CCCCCCC(C(C)O)n1cnc(c1)C(N)=S

BDBM50011587

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCCC

BDBM50011588

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCC

BDBM50011570

CCCCCCC(C(C)O)n1cnc(C(N)=N)c1N

BDBM50011573

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC

BDBM50011574

CCCCCCC(C(C)O)n1cnc(CN)c1

BDBM50011586

CCCCCCC(C(C)O)n1cnc(C(N)=O)c1Cl

BDBM50011584

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC[C@@H](C)O

BDBM50011571

CCCCCCC(C(C)O)n1cnc(c1)C(N)=N

BDBM50011567

CCCCCCC(C(C)O)n1cnc(c1)C(=O)N(C)C

BDBM50011579

CCCCCCC(C(C)O)n1cnc(c1)C(O)=O

BDBM50011589

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC[C@H](C)O

BDBM50011569

CCCCCCC(C(C)O)n1cnc(c1)C(=O)OCC

BDBM50368235

Nc1cccc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50011581

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC1CCCC1

BDBM50011585

CCCCCCC(C(C)O)n1cnc(CO)c1

BDBM50011583

CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCc1ccccc1

BDBM50406548

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r|

BDBM50012527

Cc1ccc(OC[C@H]2O[C@H](C[C@@H]2Oc2ccc(C)cc2)n2cnc3c(NO)ccnc23)cc1 |r|

BDBM50012528

OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NO)ccnc12 |r|

BDBM50368280

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NO)cc(Cl)nc12 |r|

BDBM50003601

CCCCCC[C@H](CF)n1cnc2c(N)ncnc12

BDBM50003605

CCCCCCC1C(O)Cn2cnc(=[NH2+])c3ncn1c23

BDBM50003604

CCCCCC[C@H](CBr)n1cnc2c(N)ncnc12

BDBM50003606

CCCCCC[C@H](CCl)n1cnc2c(N)ncnc12

BDBM50003607

CCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc12

BDBM50003608

CCCCCC[C@H]([C@@H]1CO1)n1cnc2c(N)ncnc12

BDBM50003609

CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12

BDBM50003610

CCCCCC[C@H](CO)n1cnc2c(N)ncnc12

BDBM50368778

Nc1nncc2n(nnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM14487

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50043789

CCCCCCC(C(C)O)n1ncnn1

BDBM50043790

CCCCCCC(C(C)O)n1cncn1

BDBM50043793

CCCCCCC(C(C)O)n1cnnn1

BDBM50043791

CCCCCCC(C(C)O)n1ccnn1

BDBM50043788

CCCCCCC(C(C)O)n1ccnc1

BDBM50043792

CCCCCCC(C(C)O)n1nccn1

BDBM50043794

CCCCCCC(C(C)O)n1cnnc1

BDBM50043795

CCCCCCC(C(C)O)n1cccn1

BDBM50407526

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12 |r|

BDBM50407524

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12 |r|

BDBM50407529

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ccnc12 |r|

BDBM50407530

Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50407528

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ccnc12 |r|

BDBM50407531

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)cc(Cl)nc12 |r|

BDBM50407532

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ccnc12 |r|

BDBM50407525

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r|

BDBM50407527

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)cc(Cl)nc12 |r|

BDBM50031253

OCC1OC(CC1O)n1cnc2c(NC3CCC3)cc(Cl)nc12

BDBM50031254

Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1

BDBM50031255

OCC1OC(CC1O)n1cnc2c(NC3CCCCC3)ccnc12

BDBM50031258

OCC1OC(CC1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12

BDBM50031257

OCC1CCC(O1)n1cnc2c(NC3CCC3)ccnc12

BDBM50031259

OCC1OC(CC1O)n1cnc2c(NC3CCC3)ccnc12

BDBM50369057

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 |r|

BDBM50031260

OCC1OC(CC1O)n1cnc2c(NC3CC3)ccnc12

BDBM50031261

Nc1ccnc2n(cnc12)C1CC(O)C(CO)O1

BDBM50031262

OCC1OC(CC1O)n1cnc2c(NC3CC3)cc(Cl)nc12

BDBM50031263

OCC1CCC(O1)n1cnc2c(NC3CCCC3)cc(Cl)nc12

BDBM50031265

CNc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1

BDBM50031264

OCC1OC(CC1O)n1cnc2c(NC3CCCC3)ccnc12

BDBM50031266

OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)ccnc12

BDBM50369058

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|

BDBM50031271

OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)ccnc12

BDBM50031268

Nc1ccnc2n(cnc12)C1CCC(CO)O1

BDBM50031267

OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)ccnc12

BDBM50031269

OCC1CCC(O1)n1cnc2c(NC3CCCCC3)ccnc12

BDBM50031272

OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12

BDBM50031273

OCC1OC(CC1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12

BDBM50023668

Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50031275

OCC1CCC(O1)n1cnc2c(NC3CC3)cc(Cl)nc12

BDBM50031276

CNc1ccnc2n(cnc12)C1CC(O)C(CO)O1

BDBM50369061

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|

BDBM50031279

OCC1CCC(O1)n1cnc2c(NC3CCCC3)ccnc12

BDBM50031280

OCC1CCC(O1)n1cnc2c(NC3CC3)ccnc12

BDBM50369062

CNc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50369063

CNc1cc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50031286

OCC1CCC(O1)n1cnc2c(NC3CCC3)cc(Cl)nc12

BDBM50031283

CNc1ccnc2n(cnc12)C1CCC(CO)O1

BDBM50369065

OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|

BDBM50031285

OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12

BDBM50031284

OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)ccnc12

BDBM50031289

OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12

BDBM50031292

CNc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1

BDBM50031291

OCC1CCC(O1)n1cnc2c(NC3CCCCC3)cc(Cl)nc12

BDBM50031290

Nc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1

BDBM50031294

OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12

BDBM50407749

OC[C@@H]1O[C@@H](C[C@H]1O)n1cnc2[C@H](O)CCC=Nc12 |c:17|

BDBM50369126

OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2[C@H](O)CCC=Nc12 |r,c:18|

BDBM50004352

Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](CO)O1

BDBM50094662

C[C@H](O)C(COCCc1ccccc1)n1cnc2c(N)ncnc12

BDBM50094663

CCCCOCC([C@H](C)O)n1cnc2c(N)ncnc12

BDBM50105931

Nc1ncnc2ncn(CCOCP(O)(O)=O)c12

BDBM50369957

COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)COCCn1cnc2ncnc(N)c12)n1cnc2c(N)ncnc12 |c:2|

BDBM50105934

Nc1ncnc2ncn(COCCO)c12

BDBM50369958

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(=O)COCCn2cnc3ncnc(N)c23)[C@H]1O

BDBM50105935

COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)COCCn1cnc2c(N)ncnc12 |c:2|

BDBM50001103

c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N

BDBM50149224

NC(N)=Nc1nc(cs1)-c1ccc(CNc2cc3ccccc3[nH]2)s1 |(14.54,.89,;13.04,1.21,;12,.06,;12.56,2.68,;11.06,3,;9.92,1.96,;8.59,2.75,;8.9,4.24,;10.44,4.4,;7.17,2.12,;5.84,2.89,;4.7,1.86,;5.33,.46,;4.56,-.87,;3.02,-.87,;2.25,-2.22,;.71,-2.36,;.38,-3.88,;-.95,-4.65,;-.95,-6.19,;.38,-6.96,;1.73,-6.19,;1.73,-4.65,;2.88,-3.62,;6.84,.61,)|

BDBM50139880

COc1ccc(COC2N(C)N(C)C=Nc3ncn(Cc4ccc(OC)cc4)c23)cc1 |c:13|

BDBM50139881

COC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:7|

BDBM50139883

CCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:9|

BDBM50139884

COc1ccc(Cn2cnc3N=CN(C)N(C)C(OC(C)C)c23)cc1 |c:11|

BDBM50139885

CCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:8|

BDBM50139886

COCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:10|

BDBM50139887

CCCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:10|

BDBM50139889

COc1ccc(Cn2cnc3N=CN(C)N(C)C(OCc4cccc(C)c4)c23)cc1 |c:11|

BDBM50171387

CCCCCCCCn1cc2c(N)ncnc2n1

BDBM50171388

CCCCCCC(C(C)O)N1N=CC2C1N=CN=C2N |c:11,16,18|

BDBM50171389

NC1=NC=NC2C1C=NN2CCO |c:3,8,t:1|

BDBM50171391

CCCCCCCn1cc2c(N)ncnc2n1

BDBM50171393

CCCCCCCCCn1cc2c(N)ncnc2n1

BDBM50171394

CCCCCCCCCCn1cc2c(N)ncnc2n1

BDBM50171395

CCCCCCCCCCCn1cc2c(N)ncnc2n1

BDBM50370598

CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1 |r|

BDBM50410268

CCCCCCCC[C@H](O)Cn1cc2c(N)ncnc2n1 |r|

BDBM50410269

CCCCCCC(O)Cn1cc2c(N)ncnc2n1

BDBM50171396

CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1

BDBM50337803

CCCCCCC(C(C)O)n1cc2c(N)ncnc2n1

BDBM50378885

OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12 |r,c:15,17|

BDBM50335313

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nnc2cncnc12 |r|

BDBM50335292

CSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50335293

CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50300878

CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50300874

Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335294

CCCCCCSc1nc(N)c2nnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50335295

Nc1nc(SCc2ccccc2)nc2n(nnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335296

CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50335297

CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50335298

CCCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50300882

CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50009525

Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335300

CSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335301

CSc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335302

COc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335303

CNc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335304

Nc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335305

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ncncc2[nH]c1=S |r|

BDBM50335306

CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM32370

Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50335307

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)[nH]c12 |r|

BDBM50335308

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cnc(Cl)nc12 |r|

BDBM50335309

CSc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50335310

CNc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50335311

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cnc(NCc3ccccc3)nc12 |r|

BDBM50335312

c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

BDBM50378886

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12 |r,c:16,18|

BDBM50004697

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2cncnc12

BDBM50010137

CCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|