SMILES for Bromodomain-containing protein 4 [368-440]

648 SMILES Strings for Bromodomain-containing protein 4 [368-440]

Compound Name

SMILES String

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-1.3,.87,)|

BDBM50092339

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,)|

BDBM179457

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3)c21 |(-1.12,2.92,;-1.75,1.51,;-.98,.18,;.56,.18,;1.33,-1.16,;.56,-2.49,;-.98,-2.49,;-1.75,-1.16,;-3.29,-1.16,;-4.19,-2.4,;-3.79,-3.89,;-5.65,-1.93,;-5.65,-.39,;-4.19,.09,;-3.79,1.58,;1.6,-3.64,;3,-3.01,;4.41,-3.64,;5.65,-2.73,;5.49,-1.2,;4.09,-.57,;3.69,.92,;4.78,2,;4.38,3.49,;2.89,3.89,;1.8,2.8,;2.2,1.31,;2.84,-1.48,)|

BDBM179458

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c21 |(-1.12,2.92,;-1.75,1.51,;-.98,.18,;.56,.18,;1.33,-1.16,;.56,-2.49,;-.98,-2.49,;-1.75,-1.16,;-3.29,-1.16,;-4.19,-2.4,;-3.79,-3.89,;-5.65,-1.93,;-5.65,-.39,;-4.19,.09,;-3.79,1.58,;1.6,-3.64,;3,-3.01,;4.41,-3.64,;5.65,-2.73,;5.49,-1.2,;4.09,-.57,;3.69,.92,;4.78,2,;4.38,3.49,;2.89,3.89,;1.8,2.8,;2.2,1.31,;2.84,-1.48,)|

BDBM179460

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c21 |(-1.88,2.57,;-2.65,1.24,;-1.88,-.09,;-.34,-.09,;.43,-1.43,;-.34,-2.76,;-1.88,-2.76,;-2.65,-1.43,;-4.19,-1.43,;-5.1,-2.67,;-4.7,-4.16,;-6.56,-2.2,;-6.56,-.66,;-5.1,-.18,;-4.7,1.31,;.69,-3.9,;2.09,-3.28,;3.5,-3.9,;4.75,-3,;4.59,-1.47,;3.18,-.84,;2.78,.65,;1.53,1.55,;2.01,3.02,;3.55,3.02,;4.58,4.16,;6.09,3.84,;6.56,2.38,;5.53,1.23,;4.03,1.55,;1.93,-1.75,)|

BDBM50092323

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)|

BDBM179476

COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;4.55,2.12,;6.04,1.72,;4.08,3.59,;2.54,3.59,;2.06,2.12,;.57,1.72,;2.46,-1.17,)|

BDBM313771

Cc1nnn2CCN(c3ccccc3)c3ccccc3-c12

BDBM313772

Cc1nnn2CCN(Cc3ccccc3)c3ccccc3-c12

BDBM313773

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1

BDBM313774

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1

BDBM313775

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1

BDBM313776

Cc1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12

BDBM313777

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1

BDBM313778

C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|

BDBM313779

C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|

BDBM313780

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(Cn4cccn4)ccc3-c12

BDBM313781

Cc1nnn2C(CCO)CN(c3ccc(Cl)cc3)c3ccccc3-c12

BDBM313782

Cc1nnn2CCN(c3cccc(Br)c3)c3ccccc3-c12

BDBM313783

Cc1nnn2CCN(c3cccc(C=C)c3)c3ccccc3-c12

BDBM313784

Cc1nnn2CCN(c3cccc(c3)C(O)CO)c3ccccc3-c12

BDBM313785

FC(F)c1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12

BDBM313786

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12

BDBM313787

COC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1

BDBM313788

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)=O

BDBM313789

C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|

BDBM313790

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CO)ccc3-c12

BDBM313791

C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|

BDBM313792

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1

BDBM313793

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1

BDBM313794

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NC(c1ccccc1)c1ccccc1

BDBM313795

C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|

BDBM313796

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1

BDBM313797

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(C)(=O)=O

BDBM313798

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O

BDBM313799

C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccccc3)c2c1)c1ccc(F)cc1 |r|

BDBM313800

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NO

BDBM313801

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO

BDBM313802

CONC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1

BDBM313803

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C#N

BDBM313804

CON(C)C(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1

BDBM313805

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1noc(=O)[nH]1

BDBM313806

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F

BDBM313807

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1

BDBM333405

Cn1cc(-c2cc3[nH]c(=O)[nH]c3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

BDBM333406

Cn1c2cc(Oc3ccc(F)cc3F)c(cc2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333407

Cn1cnc2cc(c(Oc3ccc(F)cc3F)cc12)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333408

Cc1nc2cc(c(Oc3ccc(F)cc3F)cc2n1C)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333409

Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

BDBM333410

Cc1nc2cc(Oc3ccc(F)cc3F)c(cc2[nH]1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333411

Cn1c2cc(Oc3ccc(F)cc3F)c(cc2n(C)c1=O)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333412

Cn1cc(-c2cc3[nH]nnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

BDBM333413

Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O

BDBM333414

Cn1c2cc(Oc3ccc(F)cc3F)c(cc2n(C)c1=O)-c1cn(C)c(=O)c2[nH]ncc12

BDBM333415

Cn1cc(-c2cc3NCNc3cc2OCC2CCC2)c2cc[nH]c2c1=O

BDBM333416

CCn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333418

Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333420

Cn1cc(-c2cc3n(Cc4ccccc4)cnc3cc2OCC2CCC2)c2cc[nH]c2c1=O

BDBM333422

CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12

BDBM333424

Cn1cc(-c2cc3[nH]c(nc3cc2OCC2CCC2)N2CCCCC2)c2cc[nH]c2c1=O

BDBM333425

Cn1cc(-c2cc3[nH]c(nc3cc2OCC2CCC2)C2CCCC2)c2cc[nH]c2c1=O

BDBM333426

Cn1cc(-c2cc3[nH]c(CCC([O-])=O)nc3cc2OCC2CCC2)c2cc[nH]c2c1=O

BDBM249273

Cc1noc(C)c1-c1cc(c2nc(NCC3CC3)[nH]c2c1)S(=O)(=O)NC1CCCC1

BDBM249274

CSc1nc2c(cc(cc2[nH]1)-c1c(C)noc1C)S(=O)(=O)NC1CCCC1

BDBM249275

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)S(C)=O)S(=O)(=O)NC1CCCC1

BDBM249276

Cc1cnn(C)c1-c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C |(.79,-3.53,;2.13,-2.76,;3.59,-3.24,;4.5,-1.99,;3.59,-.75,;4.36,.59,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-.86,-2.73,;-.54,-1.22,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.54,3.4,;.71,4.3,;2.04,3.53,;.23,5.77,;-1.31,5.77,;-1.79,4.3,;-3.12,3.53,)|

BDBM249277

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|

BDBM249278

Cc1noc(C)c1-c1cc(-c2cccnc2-c2ccccc2)c2nc([nH]c2c1)C1CC1

BDBM249279

CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C

BDBM249280

Cc1noc(C)c1-c1cc(\C=C\c2ccccc2)c2[nH]c(nc2c1)C1CC1

BDBM249281

CC(c1ccc(F)cc1)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C

BDBM249282

Cc1noc(C)c1-c1cc(NC2CCCC2)c2nc([nH]c2c1)C1CC1

BDBM249283

Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1 |(1.89,3.53,;.56,4.3,;.08,5.77,;-1.46,5.77,;-1.94,4.3,;-3.27,3.53,;-.69,3.4,;-.69,1.86,;.64,1.09,;.64,-.45,;1.98,-1.22,;1.98,-2.76,;.64,-3.53,;3.31,-3.53,;4.65,-2.76,;4.65,-1.22,;3.31,-.45,;3.31,1.09,;-.69,-1.22,;-1.01,-2.73,;-2.54,-2.89,;-3.17,-1.48,;-2.02,-.45,;-2.02,1.09,;-3.31,-4.23,;-4.65,-5,;-3.31,-5.77,)|

BDBM249284

Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C |(4.36,.59,;3.59,-.75,;4.5,-1.99,;3.59,-3.24,;2.13,-2.76,;.79,-3.53,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.86,-2.73,;.23,-3.82,;-.54,-1.22,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|

BDBM249285

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2n(C)c(nc2c1)C1CC1 |(-3.94,3.53,;-2.6,4.3,;-2.13,5.77,;-.59,5.77,;-.11,4.3,;1.22,3.53,;-1.36,3.4,;-1.36,1.86,;-.02,1.09,;-.02,-.45,;1.31,-1.22,;1.31,-2.76,;-.02,-3.53,;2.64,-3.53,;3.98,-2.76,;3.98,-1.22,;5.31,-.45,;5.31,1.09,;3.98,1.86,;2.64,1.09,;2.64,-.45,;-1.36,-1.22,;-1.68,-2.73,;-.59,-3.82,;-3.21,-2.89,;-3.83,-1.48,;-2.69,-.45,;-2.69,1.09,;-3.98,-4.23,;-5.31,-5,;-3.98,-5.77,)|

BDBM404272

Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(nc12)C1CCC1)-c1c(C)noc1C |(.87,-3.36,;2.2,-2.59,;3.67,-3.07,;4.57,-1.82,;3.67,-.58,;4.44,.76,;2.2,-1.05,;.87,-.28,;.87,1.26,;-.46,2.03,;-1.8,1.26,;-1.8,-.28,;-2.94,-1.31,;-2.32,-2.72,;-.78,-2.56,;-.46,-1.05,;-3.09,-4.05,;-4.57,-4.45,;-4.17,-5.94,;-2.69,-5.54,;-.46,3.57,;-1.71,4.47,;-3.04,3.7,;-1.23,5.94,;.31,5.94,;.78,4.47,;2.12,3.7,)|

BDBM249287

Cc1nc2cc(cc(-c3c(C)n[nH]c3C)c2[nH]1)-c1c(C)noc1C |(-3.83,-5,;-3.06,-3.66,;-3.69,-2.25,;-2.54,-1.22,;-2.54,.32,;-1.21,1.09,;.13,.32,;.13,-1.22,;1.46,-1.99,;2.92,-1.52,;3.69,-.18,;3.83,-2.76,;2.92,-4.01,;1.46,-3.53,;.13,-4.3,;-1.21,-1.99,;-1.53,-3.5,;-1.21,2.63,;.04,3.53,;1.37,2.76,;-.44,5,;-1.98,5,;-2.45,3.53,;-3.79,2.76,)|

BDBM249288

Cc1n[nH]c(C)c1-c1cc(cc2nc([nH]c12)C1CC1(F)F)-c1c(C)noc1C |(1.15,-3.3,;2.49,-2.53,;3.95,-3,;4.86,-1.76,;3.95,-.51,;4.72,.82,;2.49,-.99,;1.15,-.22,;1.15,1.32,;-.18,2.09,;-1.52,1.32,;-1.52,-.22,;-2.66,-1.25,;-2.03,-2.66,;-.5,-2.49,;-.18,-.99,;-2.43,-4.14,;-2.03,-5.63,;-3.52,-5.23,;-4.86,-4.46,;-4.86,-6,;-.18,3.63,;-1.43,4.54,;-2.76,3.77,;-.95,6,;.59,6,;1.06,4.54,;2.4,3.77,)|

BDBM249289

Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C |(1.95,-2.87,;3.28,-2.1,;4.75,-2.57,;5.65,-1.33,;4.75,-.08,;5.52,1.25,;3.28,-.56,;1.95,.21,;1.95,1.75,;.61,2.52,;-.72,1.75,;-.72,.21,;-1.86,-.82,;-1.24,-2.22,;-2.01,-3.56,;-3.55,-3.56,;-4.32,-4.89,;-5.65,-5.66,;-4.32,-6.43,;.29,-2.06,;.61,-.56,;.61,4.06,;-.63,4.97,;-1.97,4.2,;-.16,6.43,;1.38,6.43,;1.86,4.97,;3.19,4.2,)|

BDBM249290

Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NC3CC3)nc12)-c1c(C)noc1C |(1.56,-3.92,;2.9,-3.15,;4.36,-3.63,;5.27,-2.38,;4.36,-1.13,;5.13,.2,;2.9,-1.61,;1.56,-.84,;1.56,.7,;.23,1.47,;-1.1,.7,;-1.1,-.84,;-2.25,-1.87,;-1.62,-3.28,;-2.39,-4.61,;-3.93,-4.61,;-5.27,-3.84,;-5.27,-5.38,;-.09,-3.12,;.23,-1.61,;.23,3.01,;-1.02,3.92,;-2.35,3.15,;-.54,5.38,;1,5.38,;1.48,3.92,;2.81,3.15,)|

BDBM249291

Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2nc[nH]c2c1 |(-3.96,2.42,;-2.62,3.19,;-2.15,4.65,;-.61,4.65,;-.13,3.19,;1.2,2.42,;-1.38,2.28,;-1.38,.74,;-.04,-.03,;-.04,-1.57,;1.29,-2.34,;1.29,-3.88,;-.04,-4.65,;2.62,-4.65,;3.96,-3.88,;3.96,-2.34,;2.62,-1.57,;2.62,-.03,;-1.38,-2.34,;-1.7,-3.85,;-3.23,-4.01,;-3.86,-2.6,;-2.71,-1.57,;-2.71,-.03,)|

BDBM249292

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2nc([nH]c2c1)-c1cnn(C)c1 |(2.9,3.95,;1.56,4.72,;1.09,6.18,;-.45,6.18,;-.93,4.72,;-2.26,3.95,;.32,3.81,;.32,2.27,;1.65,1.5,;1.65,-.04,;2.99,-.81,;4.32,-.04,;4.32,1.5,;5.65,-.81,;5.65,-2.35,;4.32,-3.12,;4.32,-4.66,;2.99,-5.43,;1.65,-4.66,;1.65,-3.12,;2.99,-2.35,;.32,-.81,;-0,-2.32,;-1.53,-2.48,;-2.16,-1.07,;-1.02,-.04,;-1.02,1.5,;-2.3,-3.81,;-1.83,-5.28,;-3.07,-6.18,;-4.32,-5.28,;-5.65,-6.05,;-3.84,-3.81,)|

BDBM249293

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2nc([nH]c2c1)C(O)CCO |(1.89,4.58,;.56,5.35,;.08,6.82,;-1.46,6.82,;-1.94,5.35,;-3.27,4.58,;-.69,4.45,;-.69,2.91,;.64,2.14,;.64,.6,;1.98,-.17,;3.31,.6,;3.31,2.14,;4.65,-.17,;4.65,-1.71,;3.31,-2.48,;3.31,-4.02,;1.98,-4.79,;.64,-4.02,;.64,-2.48,;1.98,-1.71,;-.69,-.17,;-1.01,-1.68,;-2.54,-1.84,;-3.17,-.43,;-2.02,.6,;-2.02,2.14,;-3.31,-3.17,;-4.65,-3.94,;-2.54,-4.51,;-3.88,-5.28,;-3.88,-6.82,)|

BDBM249294

COc1nc2c(cc(cc2[nH]1)-c1c(C)noc1C)-c1c(C)ccc2ncccc12 |(-5.25,-5,;-3.71,-5,;-2.94,-3.66,;-1.41,-3.5,;-1.09,-1.99,;.25,-1.22,;.25,.32,;-1.09,1.09,;-2.42,.32,;-2.42,-1.22,;-3.56,-2.25,;-1.09,2.63,;.16,3.53,;1.49,2.76,;-.32,5,;-1.86,5,;-2.33,3.53,;-3.67,2.76,;1.58,-1.99,;1.98,-3.48,;.89,-4.57,;3.47,-3.88,;4.56,-2.79,;4.16,-1.3,;5.25,-.22,;4.85,1.27,;3.36,1.67,;2.27,.58,;2.67,-.91,)|

BDBM249295

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2nc([nH]c2c1)C(F)(F)F |(.56,2.76,;-.78,3.53,;-1.25,5,;-2.79,5,;-3.27,3.53,;-4.6,2.76,;-2.02,2.63,;-2.02,1.09,;-.69,.32,;-.69,-1.22,;.64,-1.99,;.64,-3.53,;-.69,-4.3,;1.98,-4.3,;3.31,-3.53,;3.31,-1.99,;4.65,-1.22,;4.65,.32,;3.31,1.09,;1.98,.32,;1.98,-1.22,;-2.02,-1.99,;-2.34,-3.5,;-3.88,-3.66,;-4.5,-2.25,;-3.36,-1.22,;-3.36,.32,;-4.65,-5,;-6.19,-5,;-5.42,-6.33,;-3.56,-6.08,)|

BDBM249296

Cc1n[nH]c(C)c1-c1cc(cc2nc(N)[nH]c12)-c1c(C)noc1C |(.13,-4.3,;1.46,-3.53,;2.92,-4.01,;3.83,-2.76,;2.92,-1.52,;3.69,-.18,;1.46,-1.99,;.13,-1.22,;.13,.32,;-1.21,1.09,;-2.54,.32,;-2.54,-1.22,;-3.69,-2.25,;-3.06,-3.66,;-3.83,-5,;-1.53,-3.5,;-1.21,-1.99,;-1.21,2.63,;-2.45,3.53,;-3.79,2.76,;-1.98,5,;-.44,5,;.04,3.53,;1.37,2.76,)|

BDBM249297

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1ccccc1

BDBM249298

CCC(CC)c1cc(cc2[nH]c(nc12)C1CC1)-c1c(C)noc1C

BDBM249299

Cc1noc(C)c1-c1cc(C(O)C2CCCC2)c2nc([nH]c2c1)C1CC1

BDBM249300

CCC(O)(CC)c1cc(cc2n(C)c(nc12)C1CC1)-c1c(C)noc1C

BDBM249301

CC1CCC(=O)N1c1cc(cc2[nH]c(nc12)C1CC1)-c1c(C)noc1C

BDBM249302

CCC1CCC(=O)N1c1cc(cc2[nH]c(nc12)C1CC1)-c1c(C)noc1C

BDBM249303

Cc1noc(C)c1-c1cc(c2nc(Cc3ccccc3)[nH]c2c1)S(=O)(=O)NC1CCCC1

BDBM249304

Cc1noc(C)c1-c1cc(c2nc(NCC(F)(F)F)[nH]c2c1)S(=O)(=O)NC1CCCC1

BDBM249305

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1nccs1)c1nccs1

BDBM249306

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1

BDBM249307

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1cccnc1

BDBM249308

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1ccccn1

BDBM249309

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1cccc(C)n1

BDBM249310

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1F)C1CC1)C(O)(c1ccccn1)c1ccccn1 |(-3.94,3.57,;-2.6,4.34,;-2.13,5.8,;-.59,5.8,;-.11,4.34,;1.22,3.57,;-1.36,3.44,;-1.36,1.9,;-.02,1.13,;-.02,-.41,;-1.36,-1.18,;-1.68,-2.69,;-3.21,-2.85,;-3.83,-1.45,;-2.69,-.41,;-2.69,1.13,;-4.02,1.9,;-3.98,-4.19,;-5.31,-4.96,;-3.98,-5.73,;1.31,-1.18,;2.64,-1.95,;1.31,-2.72,;-.02,-3.49,;-.02,-5.03,;1.31,-5.8,;2.64,-5.03,;2.64,-3.49,;2.64,-.41,;3.98,-1.18,;5.31,-.41,;5.31,1.13,;3.98,1.9,;2.64,1.13,)|

BDBM249311

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ncccn1

BDBM249312

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ncccn1)c1ccc(F)cc1F

BDBM404301

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1ccccc1

BDBM249314

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCC(C)(C)O1)c1cccnn1

BDBM249286

Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(nc12)C1CC1)-c1c(C)noc1C |(.79,-3.53,;2.13,-2.76,;3.59,-3.24,;4.5,-1.99,;3.59,-.75,;4.36,.59,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-.86,-2.73,;-.54,-1.22,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|

BDBM249313

Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1cccnn1

BDBM12915

O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

BDBM259897

Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6|

BDBM50427453

O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1

BDBM50427456

COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259879

ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM50427485

O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1

BDBM50427457

CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259880

Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F

BDBM50427488

OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259881

CC(C)(C)c1cc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)no1

BDBM259882

FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)ccc1Cl

BDBM259883

O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCSCC1

BDBM259884

CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCSCC1

BDBM259885

Brc1csc2c1oc(cc2=O)N1CCOCC1

BDBM259886

Brc1csc2c1oc(cc2=O)N1CCSCC1

BDBM50427490

O=c1cc(oc2ccsc12)N1CCOCC1

BDBM50427454

O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1

BDBM259887

O=c1cc(oc2c(csc12)C#Cc1ccccc1)N1CCOCC1

BDBM259888

O=c1cc(oc2c(csc12)-c1ccn[nH]1)N1CCOCC1

BDBM259889

Cn1ncc2ccc(cc12)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259890

Cc1n[nH]c2cc(ccc12)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259891

Cc1nnc(o1)-c1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259892

CNC(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259893

CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM259894

Cc1cccc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)c1

BDBM259895

FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)c1

BDBM259896

Cc1ccc(C)c(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)c1

BDBM50427476

Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1

BDBM50365262

Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

BDBM205429

Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

BDBM223491

Cc1nnc2[C@H](CC(=O)N\N=C\c3ncc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:18|

BDBM223492

Cc1nnc2[C@H](CC(=O)NCCc3cnc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:18|

BDBM223493

CN1CCN(CCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |r,c:12|

BDBM223494

Cc1sc-2c(c1C)C(=NC(CC(=O)NCCN1CCOCC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|

BDBM223495

CN1CCN(CCCNC(=O)CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |c:13|

BDBM391501

Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccc2)c2cc[nH]c2c1=O

BDBM391502

CC(C)C1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12

BDBM391503

CC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12

BDBM391504

CCC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12

BDBM391505

Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccn2)c2cc[nH]c2c1=O

BDBM391506

Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CC2)c2cc[nH]c2c1=O

BDBM391507

Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CCOCC2)c2cc[nH]c2c1=O

BDBM391508

CCC1Oc2c(cccc2-c2cn(C)c(=O)c3[nH]ccc23)N(C)C1=O

BDBM391509

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391510

COc4cc1NC(=O)C(C(C)C)Oc1c(c2cn(C)c(=O)c3[nH]ccc23)c4

BDBM391511

COc4cc1NC(=O)[C@H](C(C)C)Oc1c(c2cn(C)c(=O)c3[nH]ccc23)c4

BDBM391512

COc1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391513

COc1cc2N(CC(O)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391514

CNC(=O)CN1C(=O)C(Oc2c1cc(OC)cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391515

COc1cc2N(CC(N)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391516

COc1cc2N(CC(=O)N3CCN(C)CC3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391517

COc1cc2N(Cc3ccncc3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM419932

COc1cc2N(C(C)C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391519

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C#N

BDBM391520

CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C#N)N(C)C1=O

BDBM391521

CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C(N)=O)N(C)C1=O

BDBM391522

CNC(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391523

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)[N+]([O-])=O

BDBM391524

COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391525

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CC1

BDBM391526

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1

BDBM391528

COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 |r|

BDBM391527

COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 |r|

BDBM391529

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccc(F)cc1Cl

BDBM391530

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C(C)C

BDBM391531

COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM419945

CN\C=C(/C=N)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391533

COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12

BDBM391534

Cn1cc(-c2cccc3NC(=O)C4(CC4)Oc23)c2cc[nH]c2c1=O

BDBM391535

Cn1cc(-c2cccc3NC(=O)C(C)(C)Oc23)c2cc[nH]c2c1=O

BDBM391536

Cn1cc(-c2cccc3NC(=O)C(C)(C)Nc23)c2cc[nH]c2c1=O

BDBM391537

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1

BDBM391538

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N(C)C

BDBM391539

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1

BDBM391542

CC(C)C1Oc2c(NC1=O)cc(CO)cc2-c1cn(C)c(=O)c2[nH]ccc12

BDBM391543

COCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391544

CC(C)C1Oc2c(NC1=O)cc(CN)cc2-c1cn(C)c(=O)c2[nH]ccc12

BDBM391545

CCS(=O)(=O)NCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391546

CC(C)C1Oc2c(NC1=O)cc(CNC(C)=O)cc2-c1cn(C)c(=O)c2[nH]ccc12

BDBM391547

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(N)=O

BDBM391548

COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1

BDBM391551

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1ccco1

BDBM391552

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O

BDBM419978

CN1Cc2[nH]ccc2C(=C1)c1cc(cc2NC(=O)C(C)(C)Oc12)S(C)(=O)=O |c:9|

BDBM391556

Cn1cc(-c2cc(cc3NC(=O)C(Oc23)c2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM419980

CC(C)C1Oc2c(cc(cc2-c2cn(C(C)C)c(=O)c3n(C)ccc23)S(C)(=O)=O)N(C)C1=O

BDBM391558

CC(C)[C@@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O |r|

BDBM419982

Cn1cc(-c2cc(cc3NC(=O)C(CCO)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM391561

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O

BDBM391562

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)O

BDBM391563

CCS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391564

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)C(C)C

BDBM419988

Cn1cc(-c2cc(cc3N(CC4CC4)C(=O)COc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM419989

CCN1C(=O)C(Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O)C(C)C

BDBM419990

CCS(=O)(=O)c1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391568

CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)C(C)C)N(C)C1=O

BDBM391569

Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM391570

Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM419994

Cn1cc(-c2cc(cc3NC(=O)C4(CCCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM419995

CC(C)[C@@H]1Nc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O

BDBM419996

CC(C)[C@H]1Nc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O

BDBM419997

Cn1cc(-c2cc(cc3NC(=O)C4(CCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM391575

CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O

BDBM391576

Cn1cc(-c2cc(cc3NC(=O)C4(CCCCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM391577

Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cn[nH]c2c1=O

BDBM391578

CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O

BDBM391579

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N(C)C

BDBM391580

CNS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391581

CN(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391582

CN(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM420008

Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Oc23)S(=O)(=O)N2CCCCC2)c2cc[nH]c2c1=O

BDBM391584

CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N1CCCCC1

BDBM420010

CC(C)NS(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391587

CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O

BDBM391588

CCS(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391589

CC(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391590

CCS(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391591

CC(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391592

CC(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391593

CC(O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391594

CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O

BDBM391595

CC(O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM391598

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O

BDBM463768

COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C |r|

BDBM463769

COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C |r|

BDBM463783

COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CC1

BDBM463784

COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1

BDBM463785

COc1cc2N(C)C[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 |r|

BDBM463786

COc1cc2N(C)C[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 |r|

BDBM463798

COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1 |r|

BDBM463799

COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1 |r|

BDBM391572

CC(C)[C@@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O |r|

BDBM391573

CC(C)[C@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O |r|

BDBM391555

Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O

BDBM463817

CC(C)[C@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(O)=O |r|

BDBM463819

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(O)=O

BDBM463823

CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(CC2CC2)C1=O

BDBM463835

CN1C(=O)C2(CCC2)Nc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O

BDBM463836

Cn1cc(-c2cc(cc3NC(=O)C4(CCC4)Nc23)S(C)(=O)=O)c2cn[nH]c2c1=O

BDBM463839

CN(C)S(=O)(=O)c1cc(c2OC(C)(C)C(=O)N(C)c2c1C)-c1cn(C)c(=O)c2[nH]ccc12

BDBM463841

CC(C)C1Oc2c(cc(c(C)c2N(C)C1=O)S(=O)(=O)N(C)C)-c1cn(C)c(=O)c2[nH]ccc12

BDBM463842

CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)N2CCCCC2)N(C)C1=O

BDBM463843

CC(C)C1Oc2c(cc(c(C)c2N(C)C1=O)S(=O)(=O)N1CCCCC1)-c1cn(C)c(=O)c2[nH]ccc12

BDBM463844

CC(C)NS(=O)(=O)c1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C

BDBM391596

C[C@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |r|

BDBM391597

C[C@@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |r|

BDBM343402

Cc1nnc2ccc3n(Cc4ccccc4)ccc3n12

BDBM343403

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM415713

Cc1cc2c(ccc3nnc(C)n23)n1S(=O)(=O)c1ccccc1

BDBM418574

Cc1nnc2ccc3n(ccc3n12)S(=O)(=O)c1ccccc1

BDBM343406

CC(c1ccccc1)n1ccc2c1ccc1nnc(C)n21

BDBM513523

CC(c1ccccc1)n1c(C)cc2c1ccc1nnc(C)n21

BDBM343407

Cc1cc2c(ccc3nnc(C)n23)n1CCc1ccccc1

BDBM343408

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccn1

BDBM343409

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1Cl

BDBM343410

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343411

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(Cl)cc1

BDBM343412

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccnc1

BDBM343413

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccncc1

BDBM343414

Cc1cc2c(ccc3nnc(C)n23)n1CC1CCCC1

BDBM343415

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1F

BDBM343416

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(F)c1

BDBM343417

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(F)cc1

BDBM343418

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1C

BDBM343419

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(C)c1

BDBM343420

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(C)cc1

BDBM343421

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C#N

BDBM343422

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc2ccccc2n1

BDBM343423

COc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343424

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(O)c1

BDBM343425

CCCCC(c1ccccc1)n1c(C)cc2c1ccc1nnc(C)n21

BDBM343426

CC(=O)Nc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343427

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CO)c1

BDBM343428

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CC(O)C2)c1

BDBM343429

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1

BDBM343430

Cc1cc2c(ccc3nnc(C)n23)n1C(CO)c1ccccc1

BDBM343431

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(N)=O

BDBM343432

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(=O)NO

BDBM343433

CNC(=O)c1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343434

CCNC(=O)c1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343435

COc1ccc(Cn2c(C)cc3c2ccc2nnc(C)n32)cc1

BDBM343436

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(O)cc1

BDBM343437

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CNCCO)c1

BDBM343438

CN(CCO)Cc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343439

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCOCC2)c1

BDBM343440

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN[C@H]2C[C@H](O)C2)c1 |r,wU:24.27,wD:22.24,(4.32,-.16,;3.55,-1.49,;4.17,-2.9,;3.03,-3.93,;1.69,-3.16,;.36,-3.93,;.36,-5.47,;1.69,-6.24,;2.01,-7.75,;3.55,-7.91,;4.17,-6.5,;5.66,-6.1,;3.03,-5.47,;2.01,-1.65,;.93,-.56,;1.32,.92,;2.81,1.32,;3.21,2.81,;2.12,3.9,;.63,3.5,;-.45,4.59,;-1.94,4.19,;-3.03,5.28,;-3.03,6.82,;-4.57,6.82,;-5.66,7.91,;-4.57,5.28,;.24,2.01,)|

BDBM343441

CN(C)Cc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343442

CNCc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343443

CCNCc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343444

CCNC(=O)Nc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1

BDBM343445

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(NC(N)=O)c1

BDBM343446

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCCC2)c1

BDBM343447

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCCCC2)c1

BDBM343448

CN1CCN(Cc2cccc(Cn3c(C)cc4c3ccc3nnc(C)n43)c2)CC1

BDBM343449

Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCNCC2)c1

BDBM343450

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CO)cc1

BDBM343451

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CCC2)cc1

BDBM343452

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CCCC2)cc1

BDBM343453

Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CC(O)C2)cc1

BDBM343454

CN(C)Cc1ccc(Cn2c(C)cc3c2ccc2nnc(C)n32)cc1

BDBM343455

COC1CN(Cc2cccc(Cn3c(C)cc4c3ccc3nnc(C)n43)c2)C1

BDBM513573

CC(=N)n1c2nc(C)n(Cc3ccccc3)c2ccc1=N

BDBM343457

Cc1nnc2ccc3n(Cc4ccccc4)c(CO)cc3n12

BDBM343458

Cc1nnc2ccc3n(Cc4ccccc4)c(Cn4ccnc4)cc3n12

BDBM343459

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(N)=O

BDBM343460

CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343461

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N1CC(C1)C#N

BDBM343462

Cc1nnc2ccc3n(Cc4ccccc4)c(CCO)cc3n12

BDBM343463

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn[nH]1

BDBM343464

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn[nH]c1

BDBM343465

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cnn(CC#N)c1

BDBM343466

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CC#N)n1

BDBM343467

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cscn1

BDBM343468

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1nccs1

BDBM343469

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccccn1

BDBM343470

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cncs1

BDBM343471

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(C)cn1

BDBM343472

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cncn1C

BDBM343473

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccsc1

BDBM343474

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cccs1

BDBM343476

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1

BDBM343477

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(C)n1

BDBM343478

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCN2CCOCC2)n1

BDBM343479

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCC#N)n1

BDBM343480

CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343481

CCn1cnc(c1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343482

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCC#N)cn1

BDBM343483

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343484

CCCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343485

CC(C)NC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343486

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NC1CCC1

BDBM343487

C[C@@H](NC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1)C(F)(F)F |r|

BDBM343488

CC(CC#N)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1 |w:1.0|

BDBM343489

CC(Cn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1)C#N |w:1.0|

BDBM343490

CN(C)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343491

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(n1)C1(CC#N)CNC1

BDBM343492

CC(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343493

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O

BDBM343494

CN1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343495

CN(C)C(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343496

CN(C)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343497

CCNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343498

CNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343499

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCC(N)=O)n1

BDBM343500

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343501

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N[C@H]1C[C@@H](C1)C#N |r,wU:23.26,wD:25.31,(.91,-5.01,;-.57,-5.41,;-1.2,-6.82,;-2.73,-6.66,;-3.05,-5.15,;-4.38,-4.38,;-4.38,-2.84,;-3.05,-2.07,;-2.73,-.56,;-3.82,.52,;-3.42,2.01,;-1.93,2.41,;-1.53,3.9,;-2.62,4.99,;-4.11,4.59,;-4.51,3.1,;-1.2,-.4,;-.57,-1.81,;-1.72,-2.84,;-1.72,-4.38,;-.43,.93,;-1.2,2.26,;1.11,.93,;1.88,2.26,;1.48,3.75,;2.98,4.17,;3.37,2.66,;3.75,5.5,;4.52,6.84,)|

BDBM343502

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N[C@H]1C[C@H](C1)C#N |r,wU:23.26,25.31,(.91,-5.01,;-.57,-5.41,;-1.2,-6.82,;-2.73,-6.66,;-3.05,-5.15,;-4.38,-4.38,;-4.38,-2.84,;-3.05,-2.07,;-2.73,-.56,;-3.82,.52,;-3.42,2.01,;-1.93,2.41,;-1.53,3.9,;-2.62,4.99,;-4.11,4.59,;-4.51,3.1,;-1.2,-.4,;-.57,-1.81,;-1.72,-2.84,;-1.72,-4.38,;-.43,.93,;-1.2,2.26,;1.11,.93,;1.88,2.26,;1.48,3.75,;2.98,4.17,;3.37,2.66,;3.75,5.5,;4.52,6.84,)|

BDBM343503

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(F)c1

BDBM343504

CN(C)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343505

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)N2CCC2)n1

BDBM343506

CN1CCN(CC1)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343507

CC(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343508

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O

BDBM343509

CC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343510

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=N)\C=C/NC1CN(C1)S(C)(=O)=O

BDBM513628

CCN1CC(CC#N)(C1)N\C=C/C(=N)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343512

CC(C)N1CC(CC#N)(C1)N\C=C/C(=N)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343513

Cc1nnc2ccc3n(Cc4ccccc4)ncc3n12

BDBM343514

CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343515

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCC1CC1

BDBM343516

CN(C)CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343517

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)N1CCOCC1

BDBM343518

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCO

BDBM343519

CN1CC(C1)NC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343520

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCN1CCOCC1

BDBM343521

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NC(C)(C)C

BDBM343522

CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1

BDBM343523

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1

BDBM343524

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NCCCO

BDBM343525

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NCC1CNC1

BDBM343526

CC(C)CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM513644

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NCc1ccccc1

BDBM343528

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCCO

BDBM343529

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCC1CNC1

BDBM343530

CC(C)CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343531

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCc1ccncc1

BDBM343532

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC2)c1

BDBM343533

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1

BDBM343534

CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1

BDBM343535

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC(F)(F)C2)c1

BDBM343536

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CC(C)(C)C2)c1

BDBM343537

CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(F)(F)F

BDBM343538

CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(F)(F)F

BDBM343539

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(F)(F)F

BDBM415971

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(O)C5)c4)c(cc3n12)-c1nnco1

BDBM415972

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1nnco1

BDBM415973

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1nnco1

BDBM343543

CNC(=O)Nc1cc2n(Cc3cc(Cl)cc(CN4CCCC4)c3)c(C)cc2n2c(C)nnc12

BDBM513661

CC1=NN=C2C=Cc3c(cc(-c4ncco4)n3Cc3ccccc3)C12 |c:5,t:1,3|

BDBM343545

CN1CCCC(C1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343546

CN1CCC(C1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343547

Cc1cc2c(cc(NC3CCOCC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343548

Cc1cc2c(cc(N[C@@H]3CCOC3)c3nnc(C)n23)n1Cc1ccccc1 |r|

BDBM343549

Cc1cc2c(cc(N[C@H]3CCOC3)c3nnc(C)n23)n1Cc1ccccc1 |r|

BDBM343550

Cc1cc2c(cc(N[C@@H]3CCN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1 |r|

BDBM343551

Cc1cc2c(cc(N[C@H]3CCN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1 |r|

BDBM343552

Cc1cc2c(cc(N[C@@H]3CCNC3)c3nnc(C)n23)n1Cc1ccccc1 |r|

BDBM343553

Cc1cc2c(cc(N[C@H]3CCNC3)c3nnc(C)n23)n1Cc1ccccc1 |r|

BDBM343554

CN1CCC(CC1)Nc1cc2n(Cc3ccccn3)c(C)cc2n2c(C)nnc12

BDBM343555

CN1CCC(CC1)Nc1cc2n(Cc3cccnc3)c(C)cc2n2c(C)nnc12

BDBM343556

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn[nH]1

BDBM343557

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CNC1

BDBM343558

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1(CC#N)CNC1

BDBM343559

CCN1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343560

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(N)=O)n1

BDBM343561

CCN1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343562

CN(C)S(=O)(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343563

CN(C)CC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343564

CCC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343565

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(C1)C(=O)C1CC1

BDBM343566

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(C1)S(=O)(=O)C1CC1

BDBM343567

CCS(=O)(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343568

CCOC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343569

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC2COC2)n1

BDBM343570

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)N2CCOCC2)n1

BDBM343571

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC2CCOCC2)n1

BDBM343572

CN1CC(C1)NC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343573

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1c[nH]cn1

BDBM343574

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCCO)n1

BDBM343575

CNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343576

CCNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343577

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC(C)(C)C)n1

BDBM343578

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1COC1

BDBM343579

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCO)n1

BDBM343580

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(CCO)C1

BDBM343581

CN1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343582

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(CCC#N)C1

BDBM343583

Cc1nnc2ccc3n(Cc4cccc(CN5CCC5)c4)c(cc3n12)C(=N)\C=C/N

BDBM343584

Cc1nnc2ccc3n(Cc4cccc(CN5CCC5)c4)c(cc3n12)-c1ccn(CCC#N)n1

BDBM343585

Cc1nnc2ccc3n(Cc4cccc(CN5CCC5)c4)c(cc3n12)-c1ccn(C)n1

BDBM343586

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1ccn(C)n1

BDBM343587

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C1CCNC1

BDBM343588

CC(=O)N1CCC(C1)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1

BDBM343589

CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC2)c1

BDBM343590

CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1

BDBM343591

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCCC5)c4)c(cc3n12)-c1ccn(C)n1

BDBM343592

CN(C)Cc1cc(Cl)cc(Cn2c(cc3c2ccc2nnc(C)n32)-c2ccn(C)n2)c1

BDBM343593

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCOCC5)c4)c(cc3n12)-c1ccn(C)n1

BDBM343594

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C1=NCCO1 |t:25|

BDBM343595

Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ncco1

BDBM343596

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1ncco1

BDBM343597

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(C)(C)C5)c4)c(cc3n12)-c1ncco1

BDBM343598

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCCC5)c4)c(cc3n12)-c1ncco1

BDBM343599

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(O)C5)c4)c(cc3n12)-c1ncco1

BDBM343600

Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC(O)C5)c4)c(cc3n12)-c1ncco1

BDBM343601

Cc1cc2c(cc(Nc3cc[nH]n3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343602

Cc1cc2c(cc(Nc3ncccn3)c3nnc(C)n23)n1Cc1ccccc1

BDBM416034

CN\C=C/C(=N)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343604

Cc1cc2c(cc(Nc3nc4ccccc4o3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343605

Cc1cc2c(cc(O)c3nnc(C)n23)n1Cc1ccccc1

BDBM343606

Cc1cc2c(cc(Nc3nc4ccccc4[nH]3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343607

Cc1cc2c(cc(NC3CCNCC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343608

CN1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343609

Cc1cc2c(cc(NCCN3CCOCC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343610

COCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343611

Cc1cc2c(cc(NCCO)c3nnc(C)n23)n1Cc1ccccc1

BDBM343612

Cc1cc2c(cc(NC3CCN(CC3)S(C)(=O)=O)c3nnc(C)n23)n1Cc1ccccc1

BDBM343613

CCN1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343614

CC(C)N1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343615

Cc1cc2c(cc(NC3CCN(CC3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1

BDBM343616

Cc1cc2c(cc(N[C@H]3CC[C@H](CC3)C#N)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:8.7,11.14,(5.98,-5.35,;5.21,-6.68,;5.83,-8.09,;4.69,-9.12,;3.35,-8.35,;2.02,-9.12,;2.02,-10.66,;.69,-11.43,;-.65,-10.66,;-1.98,-11.43,;-3.31,-10.66,;-3.31,-9.12,;-1.98,-8.35,;-.65,-9.12,;-4.65,-8.35,;-5.98,-7.58,;3.35,-11.43,;3.67,-12.94,;5.21,-13.1,;5.83,-11.69,;7.32,-11.29,;4.69,-10.66,;3.67,-6.84,;2.59,-5.75,;2.98,-4.27,;4.47,-3.87,;4.87,-2.38,;3.78,-1.29,;2.29,-1.69,;1.9,-3.18,)|

BDBM343617

CC(=O)N1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343618

Cc1cc2c(cc(N[C@H]3CC[C@H](N)CC3)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:11.11,wD:8.7,(4.64,1.85,;3.87,.51,;4.5,-.89,;3.35,-1.93,;2.02,-1.16,;.68,-1.93,;.68,-3.47,;-.65,-4.24,;-1.98,-3.47,;-1.98,-1.93,;-3.32,-1.16,;-4.65,-1.93,;-5.98,-1.16,;-4.65,-3.47,;-3.32,-4.24,;2.02,-4.24,;2.34,-5.74,;3.87,-5.9,;4.5,-4.5,;5.98,-4.1,;3.35,-3.47,;2.34,.35,;1.25,1.44,;1.65,2.93,;3.14,3.33,;3.53,4.81,;2.45,5.9,;.96,5.5,;.56,4.02,)|

BDBM343619

Cc1cc2c(cc(N[C@@H]3CC[C@H](N)CC3)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:8.7,11.11,(4.64,1.85,;3.87,.51,;4.5,-.89,;3.35,-1.93,;2.02,-1.16,;.68,-1.93,;.68,-3.47,;-.65,-4.24,;-1.98,-3.47,;-1.98,-1.93,;-3.32,-1.16,;-4.65,-1.93,;-5.98,-1.16,;-4.65,-3.47,;-3.32,-4.24,;2.02,-4.24,;2.34,-5.74,;3.87,-5.9,;4.5,-4.5,;5.98,-4.1,;3.35,-3.47,;2.34,.35,;1.25,1.44,;1.65,2.93,;3.14,3.33,;3.53,4.81,;2.45,5.9,;.96,5.5,;.56,4.02,)|

BDBM343620

CN[C@H]1CC[C@@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:2.1,wD:5.8,(-6.65,-1.93,;-5.32,-1.16,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|

BDBM343621

CN(C)[C@H]1CC[C@@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:3.2,wD:6.9,(-6.65,-1.93,;-5.32,-1.16,;-5.32,.38,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|

BDBM343622

CN[C@H]1CC[C@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:5.8,2.1,(-6.65,-1.93,;-5.32,-1.16,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|

BDBM343623

CN(C)[C@@H]1CC[C@@H](CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,wU:6.9,3.2,(-6.65,-1.93,;-5.32,-1.16,;-5.32,.38,;-3.98,-1.93,;-3.98,-3.47,;-2.65,-4.24,;-1.32,-3.47,;-1.32,-1.93,;-2.65,-1.16,;.02,-4.24,;1.35,-3.47,;1.35,-1.93,;2.69,-1.16,;3.01,.35,;1.92,1.44,;2.31,2.93,;3.8,3.33,;4.2,4.81,;3.11,5.9,;1.62,5.5,;1.23,4.02,;4.54,.51,;5.31,1.85,;5.16,-.89,;4.02,-1.93,;4.02,-3.47,;5.16,-4.5,;6.65,-4.1,;4.54,-5.9,;3.01,-5.74,;2.69,-4.24,)|

BDBM343625

C[C@@H]1C[C@@H](CCN1C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r|

BDBM343626

C[C@H]1C[C@@H](CCN1C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r|

BDBM343627

CN1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12 |r,TLB:0:1:4.3:7.6.8|

BDBM343628

Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C#N

BDBM343629

Cc1cc2c(cc(NCC3CC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343630

CNC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343631

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(c1)C(F)(F)F

BDBM343632

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(Cl)c1

BDBM343633

Cc1cc2c(cc(NC3CCCCC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343634

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cc(F)cc(F)c1

BDBM343635

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)c(F)c1

BDBM343636

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(F)c1

BDBM343637

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)cc1F

BDBM343638

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1cccc(F)c1F

BDBM343639

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccccc1F

BDBM343640

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)cc1

BDBM343641

Cc1cc2c(cc(Nc3ccccn3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343642

Cc1cc2c(cc(NCC3CCC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343643

Cc1cc2c(cc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1

BDBM343644

Cc1cc2c(cc(NCC3CN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1

BDBM343645

Cc1cc2c(cc(NC3CN(C3)C(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1

BDBM343646

CN(C)CCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343647

CN(C)CCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343648

Cc1cc2c(cc(N[C@H]3C[C@H](O)C3)c3nnc(C)n23)n1Cc1ccccc1 |r,wU:10.10,wD:8.7,(2.52,3.64,;1.75,2.31,;2.37,.9,;1.23,-.13,;-.1,.64,;-1.44,-.13,;-1.44,-1.67,;-2.77,-2.44,;-2.77,-3.98,;-3.86,-5.07,;-2.77,-6.16,;-2.77,-7.7,;-1.68,-5.07,;-.1,-2.44,;.22,-3.95,;1.75,-4.11,;2.37,-2.7,;3.86,-2.3,;1.23,-1.67,;.22,2.15,;-.87,3.24,;-.47,4.72,;1.01,5.12,;1.41,6.61,;.32,7.7,;-1.17,7.3,;-1.56,5.81,)|

BDBM343649

Cc1cc2c(cc(NC(=O)OC(C)(C)C)c3nnc(C)n23)n1Cc1ccccc1

BDBM343650

CCNC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343651

CC(C)NC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343652

CN(C)C(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343653

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccccc1

BDBM343654

Cc1cc2c(cc(Nc3ncc[nH]3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343655

Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1c(F)cccc1F

BDBM343656

Cc1cc2c(cc(Nc3ccncc3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343657

Cc1cc2c(cc(Nc3cccnc3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343658

Cc1cc2c(cc(NCCCN)c3nnc(C)n23)n1Cc1ccccc1

BDBM343659

Cc1cc2c(cc(NCCN)c3nnc(C)n23)n1Cc1ccccc1

BDBM343660

CCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343661

Cc1cc2c(cc(Nc3ccccc3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343662

CNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343663

CCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343664

CC(C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343665

COc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343666

CC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343667

CCCC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343668

CCC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343669

Cc1cc2c(cc(NC(=O)C3CC3)c3nnc(C)n23)n1Cc1ccccc1

BDBM343670

CC(C)C(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM343671

Cc1cc2c(cc(NS(C)(=O)=O)c3nnc(C)n23)n1Cc1ccccc1

BDBM343672

COC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12

BDBM640356

Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12

BDBM640357

Cn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12

BDBM640358

CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cn(C)c2c(O)nccc12

BDBM50539801

CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O

BDBM50539804

CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O

BDBM50539805

Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12

BDBM661115

Cn1cc(-c2nc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

BDBM684582

Cn1ccn(-c2ccc(cc2Cl)-c2cc(F)cc(c2O)-c2cccc(c2)N2CCN(CC2)C(C)(C)C)c1=O

BDBM684583

Cc1cc(c(O)c(n1)-c1cccc(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684584

COc1ncc(cc1N1CCN(CC1)C(C)(C)C)-c1nc(C)cc(c1O)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684586

Cc1cc(c(N)c(n1)-c1cccc(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684587

Cc1cc(c(O)c(n1)-c1cc(Cl)cc(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684589

Cc1cc(c(O)c(n1)-c1ccc(F)c(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684590

Cc1cc(c(O)c(n1)-c1cccc(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(F)c1)-n1ccn(C)c1=O

BDBM684591

Cc1cc(c(O)c(n1)-c1cc(N2CCN(CC2)C(C)(C)C)n(C)c(=O)c1)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684592

Cc1cc(c(O)c(n1)-c1cccc(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(C)c1)-n1ccn(C)c1=O

BDBM684593

Cc1cc(c(O)c(n1)-c1ccc(Cl)c(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684594

Cc1cc(c(O)c(n1)-c1cc(F)cc(c1)N1CCN(CC1)C(C)(C)C)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM684595

Cn1ccn(-c2ccc(cc2Cl)-c2cc(F)nc(c2O)-c2cccc(c2)N2CCN(CC2)C(C)(C)C)c1=O

BDBM684596

Cn1ccn(-c2ccc(cc2Cl)-c2ccnc(c2O)-c2cccc(c2)N2CCN(CC2)C(C)(C)C)c1=O

BDBM684597

COc1ncc(cc1N1CCN(CC1)C(C)(C)C)-c1cc(F)cc(c1O)-c1ccc(c(Cl)c1)-n1ccn(C)c1=O

BDBM693744

CC[C@H]1[C@@H](C)[C@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693745

CC[C@@H]1[C@H](C)[C@@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693746

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(nn1)-c1ccccc1 |r|

BDBM693747

CC[C@@H]1[C@H](C)[C@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(nn1)-c1ccccc1 |r|

BDBM693748

CC[C@H]1[C@@H](C)[C@H](NC(=O)OC(C)C)c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693749

CC[C@@H]1[C@H](C)[C@@H](NC(=O)OC(C)C)c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693750

CC[C@H]1[C@@H](C)[C@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693751

CC[C@@H]1[C@H](C)[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693752

CCCCCc1cn(nn1)[C@H]1[C@H](C)[C@H](CC)N(C(C)=O)c2ccc(cc12)C(=O)OC |r|

BDBM693753

CCCCCc1cn(nn1)[C@@H]1[C@@H](C)[C@@H](CC)N(C(C)=O)c2ccc(cc12)C(=O)OC |r|

BDBM693754

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(nn1)-c1ccc(OC)cc1 |r|

BDBM693755

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(nn1)-c1ccc(cc1)C(F)(F)F |r|

BDBM693756

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(nn1)C1CCCCC1 |r|

BDBM693757

CC[C@H]1[C@H](C)[C@@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)C(=O)OC |r|

BDBM693758

CC[C@H]1[C@H](C)[C@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(nn1)-c1ccccc1 |r|

BDBM693759

CC[C@H]1[C@H](C)[C@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCC#C)nn1 |r|

BDBM693760

CC[C@H]1[C@@H](C)[C@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693761

CC[C@@H]1[C@H](C)[C@@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693762

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1)n1cc(nn1)-c1ccccc1 |r|

BDBM693763

CC[C@@H]1[C@H](C)[C@H](c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1)n1cc(nn1)-c1ccccc1 |r|

BDBM693764

CC[C@H]1[C@@H](C)[C@H](NC(=O)OC(C)C)c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693765

CC[C@@H]1[C@H](C)[C@@H](NC(=O)OC(C)C)c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693766

CC[C@H]1[C@@H](C)[C@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693767

CC[C@@H]1[C@H](C)[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693768

CCCCCc1cn(nn1)[C@H]1[C@H](C)[C@H](CC)N(C(C)=O)c2ccc(cc12)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693769

CCCCCc1cn(nn1)[C@@H]1[C@@H](C)[C@@H](CC)N(C(C)=O)c2ccc(cc12)-c1ccc(NC(=O)CCCC=C)cc1 |r|

BDBM693770

CC[C@H]1[C@@H](C)[C@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)C(F)(F)F |r|

BDBM693771

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(F)(F)F)n1cc(nn1)-c1ccccc1 |r|

BDBM693772

CCCCCc1cn(nn1)[C@H]1[C@H](C)[C@H](CC)N(C(C)=O)c2ccc(cc12)C(F)(F)F |r|

BDBM693773

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCC#C)nn1 |r|

BDBM693774

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCC#C)nn1 |r|

BDBM693775

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCC#C)nn1 |r|

BDBM693776

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCCOCC#C)nn1 |r|

BDBM693777

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCCOCCOCC#C)nn1 |r|

BDBM693778

CC[C@H]1[C@@H](C)C(c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCc2cn(nn2)C2[C@H](C)[C@H](CC)N(C(C)=O)c3ccc(cc23)C(=O)OC)nn1 |r|

BDBM693779

CC[C@H]1[C@@H](C)C(c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCc2cn(nn2)[C@H]2[C@H](C)[C@H](CC)N(C(C)=O)c3ccc(cc23)C(=O)OC)nn1 |r|

BDBM693780

CC[C@H]1[C@@H](C)C(c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCc2cn(nn2)[C@H]2[C@H](C)[C@H](CC)N(C(C)=O)c3ccc(cc23)C(=O)OC)nn1 |r|

BDBM693781

CC[C@H]1[C@@H](C)C(c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCCOCc2cn(nn2)[C@H]2[C@H](C)[C@H](CC)N(C(C)=O)c3ccc(cc23)C(=O)OC)nn1 |r|

BDBM693782

CC[C@H]1[C@@H](C)C(c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCCOCCOCc2cn(nn2)C2[C@H](C)[C@H](CC)N(C(C)=O)c3ccc(cc23)C(=O)OC)nn1 |r|

BDBM693783

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)nn1 |r,w:38.44|

BDBM693784

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)nn1 |r,w:44.50|

BDBM693785

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1cc(COCCOCCOCCOCCOCCOCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)nn1 |r,w:50.56|

BDBM693786

CC[C@H]1[C@@H](C)[C@H](N=[N+]=[N-])c2cc(ccc2N1C(C)=O)-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|

BDBM693787

CC[C@H]1[C@@H](C)[C@@H](c2cc(ccc2N1C(C)=O)C(=O)OC)n1nnc2CCC3C(CO)C3CCc12 |r|

BDBM721205

Cn5cc(c3cccc2NC(=O)C(c1ccccc1)Oc23)c4cc[nH]c4c5=O

BDBM721206

CC(C)C1Oc2c(cccc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721207

CC1Oc2c(cccc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721208

CCC1Oc2c(cccc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721209

Cn5cc(c3cccc2NC(=O)C(c1ccccn1)Oc23)c4cc[nH]c4c5=O

BDBM721210

Cn5cc(c3cccc2NC(=O)C(C1CC1)Oc23)c4cc[nH]c4c5=O

BDBM721211

Cn5cc(c3cccc2NC(=O)C(C1CCOCC1)Oc23)c4cc[nH]c4c5=O

BDBM721220

COc1cc(C2CN(C)C(=O)c3[nH]ccc32)c2c(c1)N(CC(=O)N1CCN(C)CC1)C(=O)C(C(C)C)O2

BDBM721221

COc1cc(C2CN(C)C(=O)c3[nH]ccc32)c2c(c1)N(Cc1ccncc1)C(=O)C(C(C)C)O2

BDBM721222

COc1cc(C2CN(C)C(=O)c3[nH]ccc32)c2c(c1)N(C(C)C)C(=O)C(C(C)C)O2

BDBM721226

CNC(=O)c4cc1NC(=O)C(C(C)C)Oc1c(c2cn(C)c(=O)c3[nH]ccc23)c4

BDBM721227

CC(C)C4Oc1c(cc([N+](=O)[O-])cc1c2cn(C)c(=O)c3[nH]ccc23)NC4=O

BDBM721229

COc1cc2c(c(C3CN(C)C(=O)c4[nH]ccc43)c1)OC(C1CC1)C(=O)N2

BDBM721230

COC1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(c1ccccc1)O2

BDBM721233

COc5cc2NC(=O)C(c1ccc(F)cc1Cl)Oc2c(c3cn(C)c(=O)c4[nH]ccc34)c5

BDBM391532

CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1cnn(C)c1

BDBM721241

CC(C)C1Oc2c(cc(C(=O)N3CCOCC3)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721242

CC(C)C1Oc2c(cc(C(=O)N(C)C)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM391540

COc5cc2NC(=O)[C@@H](C1CCCC1)Oc2c(c3cn(C)c(=O)c4[nH]ccc34)c5

BDBM721250

CC(=O)NCc1cc2c(c(C3CN(C)C(=O)c4[nH]ccc43)c1)OC(C(C)C)C(=O)N2

BDBM721251

CC(C)C1Oc2c(cc(C(N)=O)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721256

CC(C)C4Oc1c(cc(S(C)(=O)=O)cc1c2cn(C)c(=O)c3[nH]ccc23)NC4=O

BDBM721257

CC(C)[C@@H]1Oc2c(cc(S(C)(=O)=O)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1=O

BDBM721258

CC(C)[C@H]1Oc2c(cc(S(C)(=O)=O)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1=O

BDBM721259

CN1CC(c2cc(S(C)(=O)=O)cc3c2OC(C)(C)C(=O)N3)c2cc[nH]c2C1=O

BDBM721260

Cn1cc(C2=CC(S(C)(=O)=O)=CC3NC(=O)C(c4ccccc4)OC23)c2cc[nH]c2c1=O

BDBM721261

CC(C)C1Oc2c(C3CN(C)C(=O)c4[nH]ccc43)cc(S(C)(=O)=O)cc2N(C)C1=O

BDBM391559

CC(C)[C@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O |r|

BDBM721264

CN1CC(c2cc(S(C)(=O)=O)cc3c2OC(CCO)C(=O)N3)c2cc[nH]c2C1=O

BDBM721265

CC(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(C(C)C)O2

BDBM721266

CC(C)C4Oc1c(cc(C(C)O)cc1c2cn(C)c(=O)c3[nH]ccc23)NC4=O

BDBM721267

CCS(=O)(=O)c4cc1NC(=O)C(C(C)C)Oc1c(c2cn(C)c(=O)c3[nH]ccc23)c4

BDBM721268

CC(C)C1Oc2c(cc(S(=O)(=O)C(C)C)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721269

CC(C)C1Oc2c(C3CN(C)C(=O)c4[nH]ccc43)cc(S(C)(=O)=O)cc2N(CC2CC2)C1=O

BDBM721270

CCN1C(=O)C(C(C)C)Oc2c(C3CN(C)C(=O)c4[nH]ccc43)cc(S(C)(=O)=O)cc21

BDBM721271

CCS(=O)(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)N(C)C(=O)C(C(C)C)O2

BDBM721272

CC(C)C1Oc2c(C3CN(C)C(=O)c4[nH]ccc43)cc(S(=O)(=O)C(C)C)cc2N(C)C1=O

BDBM721273

Cn5cc(c3cc(S(C)(=O)=O)cc2NC(=O)C1(CC1)Oc23)c4cc[nH]c4c5=O

BDBM721275

Cn1cc(C2C=C(S(C)(=O)=O)C=C3NC(=O)C4(CCCC4)NC32)c2cc[nH]c2c1=O

BDBM721276

CC(C)[C@@H]1Nc2c(cc(S(C)(=O)=O)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721277

CC(C)[C@H]1Nc2c(cc(S(C)(=O)=O)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721278

Cn1cc(C2C=C(S(C)(=O)=O)C=C3NC(=O)C4(CCC4)NC32)c2cc[nH]c2c1=O

BDBM721280

Cn5cc(c3cc(S(C)(=O)=O)cc2NC(=O)C1(CCCCC1)Nc23)c4cc[nH]c4c5=O

BDBM721281

Cn1cc(C2=CC(S(C)(=O)=O)=CC3NC(=O)C4(CC4)OC23)c2cn[nH]c2c1=O

BDBM721282

CN1CC(c2cc(S(C)(=O)=O)cc3c2OC2(CC2)C(=O)N3C)c2cn[nH]c2C1=O

BDBM721283

CC(C)C4Oc1c(cc(S(=O)(=O)N(C)C)cc1c2cn(C)c(=O)c3[nH]ccc23)NC4=O

BDBM721284

CNS(=O)(=O)c1cc2c(c(C3CN(C)C(=O)c4[nH]ccc43)c1)OC(C(C)C)C(=O)N2

BDBM721285

CN1CC(C2=CC(S(=O)(=O)N(C)C)CC3=C2OC(C)(C)C(=O)N3C)c2cc[nH]c2C1=O

BDBM721286

CN1CC(C2=CC(S(=O)(=O)N(C)C)CC3=C2OC(C)(C)C(=O)N3)c2cc[nH]c2C1=O

BDBM721287

CC(C)C1Oc2c(cc(S(=O)(=O)N(C)C)cc2C2CN(C)C(=O)c3[nH]ccc32)NC1=O

BDBM721288

CN1CC(c2cc(S(=O)(=O)N3CCCCC3)cc3c2OC(C)(C)C(=O)N3)c2cc[nH]c2C1=O

BDBM721289

CN1CC(c2cc(S(=O)(=O)N3CCCCC3)cc3c2OC(C)(C)C(=O)N3C)c2cc[nH]c2C1=O

BDBM721290

CC(C)NS(=O)(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(C)(C)O2

BDBM721293

CC(C)S(=O)(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)N(C)C(=O)C(C)(C)O2

BDBM721294

CCS(=O)(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(C)(C)O2

BDBM721295

CC(C)S(=O)(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(C)(C)O2

BDBM721296

CC(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(C)(C)O2

BDBM721297

CC(O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)NC(=O)C(C)(C)O2

BDBM721298

CC(=O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)N(C)C(=O)C(C)(C)O2

BDBM721299

CC(O)C1C=C(C2CN(C)C(=O)c3[nH]ccc32)C2=C(C1)N(C)C(=O)C(C)(C)O2

BDBM721302

CC(C)C1Oc2c(cc(S(C)(=O)=O)cc2C2CN(C)C(=O)c3[nH]ncc32)NC1=O