SMILES for Mitogen-activated protein kinase kinase kinase 14

1587 SMILES Strings for Mitogen-activated protein kinase kinase kinase 14

Compound Name

SMILES String

CC(=O)N1CC(C1)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC1(O)CCCC1)C(N)=O |(-9.41,.62,;-8.32,1.71,;-8.72,3.2,;-6.84,1.31,;-5.5,2.08,;-4.73,.75,;-6.07,-.02,;-3.24,.35,;-2.23,1.51,;-.81,.91,;-.95,-.63,;.25,-1.59,;1.58,-.82,;2.92,-1.59,;2.92,-3.13,;1.58,-3.9,;.25,-3.13,;-.95,-4.09,;-2.45,-3.75,;-3.12,-2.36,;-1.6,-2.71,;-2.45,-.97,;4.25,-.82,;5.59,-.05,;6.92,.72,;6.15,2.06,;7.4,-.74,;8.94,-.74,;9.41,.72,;8.17,1.63,;-2.63,3,;-1.54,4.09,;-4.12,3.4,)|

BDBM50541605

CC(=O)N1CCN(CC1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM158750

CC(=O)N1CCN(Cc2c(nc3-c4cc(C#CC(C)(C)O)c(F)cc4C4CC(C4)n23)C(N)=O)CC1 |(-9.41,-2.7,;-7.93,-3.1,;-7.53,-4.59,;-6.84,-2.01,;-7.24,-.53,;-6.15,.56,;-4.66,.16,;-3.57,1.25,;-2.08,.85,;-1.07,2.01,;.35,1.41,;.21,-.13,;1.41,-1.09,;2.75,-.32,;4.08,-1.09,;5.41,-.32,;6.75,.45,;8.08,1.22,;8.08,2.76,;9.41,.45,;9.41,1.99,;4.08,-2.63,;5.41,-3.4,;2.75,-3.4,;1.41,-2.63,;.21,-3.59,;-1.29,-3.24,;-1.96,-1.86,;-.35,-2.17,;-1.29,-.47,;-1.47,3.5,;-.38,4.59,;-2.96,3.9,;-4.26,-1.32,;-5.35,-2.41,)|

BDBM158818

CC(=O)N1CCN(Cc2c(nc3-c4cc(ccc4OCCn23)C#CC(C)(C)O)C(N)=O)CC1

BDBM527637

CC(=O)N1CCc2c1c(Cl)cc(Nc1nccc(n1)-c1cc3c(NCC3(C)CO)c(c1)C#N)c2C

BDBM527635

CC(=O)N1CCc2c1ccc(Nc1nccc(n1)-c1cc3c(NCC3(C)CO)c(c1)C#N)c2F

BDBM158551

CC(=O)NC1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#CC(C)(C)O

BDBM50601620

CC(=O)NCCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1

BDBM50601621

CC(=O)NCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1

BDBM158890

CC(C)(C)C(=O)NCc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.94,-1.27,;-7.45,-1.67,;-7.05,-3.16,;-7.85,-.18,;-6.68,-.34,;-7.45,1,;-5.14,-.34,;-4.05,.75,;-2.56,.35,;-1.55,1.51,;-.13,.91,;-.27,-.63,;.93,-1.59,;2.27,-.82,;3.6,-1.59,;4.93,-.82,;6.27,-.05,;7.6,.72,;8.94,-.05,;8.94,1.49,;7.6,2.26,;3.6,-3.13,;4.93,-3.9,;2.27,-3.9,;.93,-3.13,;-.27,-4.09,;-1.77,-3.75,;-2.44,-2.36,;-.88,-2.65,;-1.77,-.97,;-1.95,3,;-.86,4.09,;-3.43,3.4,)|

BDBM50374681

CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1

BDBM158878

CC(C)(C)OC(=O)N1CC(C1)[C@@H](O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:11.12,(-9.73,-3.95,;-8.19,-3.95,;-8.96,-2.61,;-7.42,-5.28,;-7.42,-2.61,;-5.88,-2.61,;-5.11,-3.95,;-5.11,-1.28,;-5.51,.21,;-4.02,.61,;-3.62,-.88,;-3.25,1.94,;-3.65,3.43,;-1.77,1.54,;-.75,2.7,;.66,2.1,;.53,.56,;1.73,-.4,;3.06,.37,;4.4,-.4,;5.73,.37,;7.06,1.14,;8.4,1.91,;9.73,2.68,;7.63,3.25,;9.73,1.14,;4.4,-1.94,;5.73,-2.71,;3.06,-2.71,;1.73,-1.94,;.53,-2.9,;-.98,-2.55,;-1.64,-1.17,;-.03,-1.17,;-.98,.22,;-1.15,4.19,;-2.64,4.59,;-.06,5.28,)|

BDBM158879

CC(C)(C)OC(=O)N1CC(C1)[C@H](O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |r,wD:11.12,(-9.73,-3.95,;-8.19,-3.95,;-8.96,-2.61,;-7.42,-5.28,;-7.42,-2.61,;-5.88,-2.61,;-5.11,-3.95,;-5.11,-1.28,;-5.51,.21,;-4.02,.61,;-3.62,-.88,;-3.25,1.94,;-3.65,3.43,;-1.77,1.54,;-.75,2.7,;.66,2.1,;.53,.56,;1.73,-.4,;3.06,.37,;4.4,-.4,;5.73,.37,;7.06,1.14,;8.4,1.91,;9.73,2.68,;7.63,3.25,;9.73,1.14,;4.4,-1.94,;5.73,-2.71,;3.06,-2.71,;1.73,-1.94,;.53,-2.9,;-.98,-2.55,;-1.64,-1.17,;-.03,-1.17,;-.98,.22,;-1.15,4.19,;-2.64,4.59,;-.06,5.28,)|

BDBM158718

CC(C)(C)OC(=O)N1CC(C1)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-9.9,-.07,;-8.81,1.02,;-9.2,2.51,;-10.35,1.02,;-7.32,.62,;-6.23,1.71,;-6.63,3.2,;-4.74,1.31,;-3.41,2.08,;-2.64,.75,;-3.97,-.02,;-1.15,.35,;-.14,1.51,;1.28,.91,;1.14,-.63,;2.34,-1.59,;3.68,-.82,;5.01,-1.59,;6.35,-.82,;7.68,-.05,;9.01,.72,;9.01,2.26,;10.35,-.05,;10.35,1.49,;5.01,-3.13,;6.35,-3.9,;3.68,-3.9,;2.34,-3.13,;1.14,-4.09,;-.36,-3.75,;-1.03,-2.36,;.58,-2.59,;-.36,-.97,;-.54,3,;.55,4.09,;-2.02,3.4,)|

BDBM50565637

CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(cc34)-c3ccc(cc3)S(C)(=O)=O)cc2)no1

BDBM523518

CC(C)(C)c1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n(CCO)n1

BDBM158684

CC(C)(CO)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158696

CC(C)(CO)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O

BDBM158546

CC(C)(O)C#CC1CCC2OCC(C)(O)c3sc(nc3C2C1)C(N)=O

BDBM158630

CC(C)(O)C#Cc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM158908

CC(C)(O)C#Cc1cc2-c3cc(sc3C3CC(C3)c2cc1F)C(N)=O |(4.08,2.06,;4.85,.72,;5.62,2.06,;6.19,-.05,;3.52,-.05,;2.18,-.82,;.85,-1.59,;-.48,-.82,;-1.82,-1.59,;-3.02,-.63,;-2.88,.91,;-4.3,1.51,;-5.31,.35,;-4.52,-.97,;-5.19,-2.36,;-4.52,-3.75,;-3.02,-4.09,;-3.63,-2.65,;-1.82,-3.13,;-.48,-3.9,;.85,-3.13,;2.18,-3.9,;-4.7,3,;-3.61,4.09,;-6.19,3.4,)|

BDBM158560

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cc[nH]n4)n3CCOc2cc1F

BDBM158570

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cn[nH]c4)n3CCOc2cc1F

BDBM158732

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)-c4cccnc4)n3C3CC(C3)c2cc1F |(8.18,1.71,;8.18,.17,;9.51,.94,;9.51,-.6,;6.84,-.6,;5.51,-1.37,;4.18,-2.14,;2.84,-1.37,;1.51,-2.14,;.3,-1.18,;.44,.36,;-.97,.96,;-1.37,2.45,;-2.86,2.85,;-.28,3.54,;-1.99,-.2,;-3.47,.2,;-4.38,1.45,;-5.84,.97,;-5.84,-.57,;-4.38,-1.04,;-6.93,2.06,;-8.42,1.66,;-9.51,2.75,;-9.11,4.24,;-7.62,4.64,;-6.54,3.55,;-1.2,-1.52,;-1.87,-2.91,;-1.2,-4.29,;.3,-4.64,;-.73,-3.22,;1.51,-3.68,;2.84,-4.45,;4.18,-3.68,;5.51,-4.45,)|

BDBM158697

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)-c4cccnc4)n3CCOc2cc1F

BDBM158772

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)C4CC4)n3C3CC(C3)c2cc1F |(7.75,2.26,;7.75,.72,;9.09,1.49,;9.09,-.05,;6.42,-.05,;5.09,-.82,;3.75,-1.59,;2.42,-.82,;1.09,-1.59,;-.12,-.63,;.02,.91,;-1.4,1.51,;-1.79,3,;-3.28,3.4,;-.71,4.09,;-2.41,.35,;-3.9,.75,;-4.8,2,;-6.27,1.52,;-6.27,-.02,;-4.8,-.5,;-7.6,2.29,;-8,3.78,;-9.09,2.69,;-1.62,-.97,;-2.29,-2.36,;-1.62,-3.75,;-.12,-4.09,;-1.09,-2.6,;1.09,-3.13,;2.42,-3.9,;3.75,-3.13,;5.09,-3.9,)|

BDBM158651

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)C4CC4)n3CCOc2cc1F

BDBM158716

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(no4)C4CC4)n3C3CC(C3)c2cc1F |(9.09,-.05,;7.75,.72,;9.09,1.49,;7.75,2.26,;6.42,-.05,;5.09,-.82,;3.75,-1.59,;2.42,-.82,;1.09,-1.59,;-.12,-.63,;.02,.91,;-1.4,1.51,;-1.79,3,;-3.28,3.4,;-.71,4.09,;-2.41,.35,;-3.9,.75,;-4.8,2,;-6.27,1.52,;-6.27,-.02,;-4.8,-.5,;-7.6,2.29,;-8,3.78,;-9.09,2.69,;-1.62,-.97,;-2.29,-2.36,;-1.62,-3.75,;-.12,-4.09,;-.68,-2.59,;1.09,-3.13,;2.42,-3.9,;3.75,-3.13,;5.09,-3.9,)|

BDBM158713

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(no4)C4CC4)n3CCOc2cc1F

BDBM158558

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C#N)n3CCOc2cc1F

BDBM158586

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NC(C)(C)C#N)n3CCOc2cc1F

BDBM158585

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NC4(C)COC4)n3CCOc2cc1F

BDBM158612

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NC4CCOC4)n3CCOc2cc1F

BDBM158609

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NC4CCOCC4)n3CCOc2cc1F

BDBM158604

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NC4CN5CCC4CC5)n3CCOc2cc1F |(9.27,-.05,;7.93,.72,;9.27,1.49,;7.54,2.21,;6.6,-.05,;5.27,-.82,;3.93,-1.59,;2.6,-.82,;1.27,-1.59,;.06,-.63,;.2,.91,;-1.22,1.51,;-1.61,3,;-3.1,3.4,;-.53,4.09,;-2.23,.35,;-3.72,.75,;-4.12,2.24,;-4.81,-.34,;-6.29,.06,;-6.69,1.55,;-8.18,1.95,;-9.27,.86,;-8.87,-.63,;-7.38,-1.03,;-7.88,.57,;-8.58,.46,;-1.44,-.97,;-2.11,-2.36,;-1.44,-3.75,;.06,-4.09,;1.27,-3.13,;2.6,-3.9,;3.93,-3.13,;5.27,-3.9,)|

BDBM158584

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NC4COC4)n3CCOc2cc1F

BDBM158610

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCC#N)n3CCOc2cc1F

BDBM158606

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCC4CCOC4)n3CCOc2cc1F

BDBM158605

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCC4CCOCC4)n3CCOc2cc1F

BDBM158616

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCC4COC4)n3CCOc2cc1F

BDBM158592

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCCN4CCCC4)n3CCOc2cc1F

BDBM158595

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCCN4CCOCC4)n3CCOc2cc1F

BDBM158686

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(O)c4cc(F)cc(F)c4)n3CCOc2cc1F

BDBM158672

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(O)c4cccc(c4)C(F)(F)F)n3CCOc2cc1F

BDBM158834

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(O)c4ccn[nH]4)n3C3CC(C3)c2cc1F |(8.12,1.12,;6.63,.72,;5.86,2.06,;7.97,-.05,;5.3,-.05,;3.97,-.82,;2.63,-1.59,;1.3,-.82,;-.03,-1.59,;-1.24,-.63,;-1.1,.91,;-2.52,1.51,;-2.91,3,;-4.4,3.4,;-1.83,4.09,;-3.53,.35,;-5.02,.75,;-5.42,2.24,;-6.11,-.34,;-5.63,-1.8,;-6.88,-2.71,;-8.12,-1.8,;-7.65,-.34,;-2.74,-.97,;-3.41,-2.36,;-2.74,-3.75,;-1.24,-4.09,;-1.87,-2.36,;-.03,-3.13,;1.3,-3.9,;2.63,-3.13,;3.97,-3.9,)|

BDBM158720

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |(5.9,2.26,;5.9,.72,;7.24,-.05,;7.24,1.49,;4.57,-.05,;3.24,-.82,;1.9,-1.59,;.57,-.82,;-.77,-1.59,;-1.97,-.63,;-1.83,.91,;-3.25,1.51,;-3.65,3,;-2.56,4.09,;-5.13,3.4,;-4.26,.35,;-5.75,.75,;-6.84,1.84,;-7.24,.35,;-3.47,-.97,;-4.14,-2.36,;-3.47,-3.75,;-1.97,-4.09,;-2.53,-2.59,;-.77,-3.13,;.57,-3.9,;1.9,-3.13,;3.24,-3.9,)|

BDBM158561

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F

BDBM158765

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CN4CCC(O)C4)n3C3CC(C3)c2cc1F |(7.76,2.93,;6.27,3.33,;7.36,4.42,;5.5,4.66,;5.18,2.24,;4.09,1.15,;3.01,.06,;1.53,.52,;.41,-.53,;-.98,.14,;-1.19,1.66,;-2.7,1.94,;-3.1,3.42,;-2.01,4.51,;-4.59,3.82,;-3.43,.58,;-4.97,.58,;-5.74,-.75,;-7.28,-.75,;-7.76,-2.22,;-6.51,-3.12,;-6.51,-4.66,;-5.27,-2.22,;-2.37,-.53,;-2.71,-2.03,;-1.75,-3.24,;-.21,-3.24,;-1.05,-1.87,;.75,-2.03,;2.22,-2.49,;3.35,-1.44,;4.84,-1.84,)|

BDBM158747

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CN4CCCC4)n3C3CC(C3)c2cc1F |(6.71,2.26,;6.71,.72,;8.04,-.05,;8.04,1.49,;5.38,-.05,;4.04,-.82,;2.71,-1.59,;1.38,-.82,;.04,-1.59,;-1.16,-.63,;-1.02,.91,;-2.44,1.51,;-2.84,3,;-1.75,4.09,;-4.33,3.4,;-3.45,.35,;-4.94,.75,;-6.03,-.34,;-7.57,-.34,;-8.04,-1.8,;-6.8,-2.71,;-5.55,-1.8,;-2.66,-.97,;-3.33,-2.36,;-2.66,-3.75,;-1.16,-4.09,;-1.72,-2.67,;.04,-3.13,;1.38,-3.9,;2.71,-3.13,;4.04,-3.9,)|

BDBM158678

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CN4CCOCC4)n3C3CC(C3)c2cc1F |(8.08,1.81,;6.99,.72,;8.33,-.05,;6.99,2.26,;5.66,-.05,;4.32,-.82,;2.99,-1.59,;1.66,-.82,;.32,-1.59,;-.88,-.63,;-.74,.91,;-2.16,1.51,;-2.56,3,;-1.47,4.09,;-4.05,3.4,;-3.17,.35,;-4.66,.75,;-5.75,-.34,;-7.24,.06,;-8.33,-1.03,;-7.93,-2.52,;-6.44,-2.92,;-5.35,-1.83,;-2.38,-.97,;-3.05,-2.36,;-2.38,-3.75,;-.88,-4.09,;-1.44,-2.59,;.32,-3.13,;1.66,-3.9,;2.99,-3.13,;4.32,-3.9,)|

BDBM158891

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CNC(=O)C4(O)CC4)n3C3CC(C3)c2cc1F |(8.94,-.05,;7.6,.72,;8.94,1.49,;7.6,2.26,;6.27,-.05,;4.93,-.82,;3.6,-1.59,;2.27,-.82,;.93,-1.59,;-.27,-.63,;-.13,.91,;-1.55,1.51,;-1.95,3,;-.86,4.09,;-3.43,3.4,;-2.56,.35,;-4.05,.75,;-5.14,-.34,;-6.68,-.34,;-7.45,1,;-7.45,-1.67,;-8.22,-.34,;-8.94,-2.07,;-7.85,-3.16,;-1.77,-.97,;-2.44,-2.36,;-1.77,-3.75,;-.27,-4.09,;-.88,-2.65,;.93,-3.13,;2.27,-3.9,;3.6,-3.13,;4.93,-3.9,)|

BDBM158892

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CNC(=O)C4CC4(F)F)n3C3CC(C3)c2cc1F |(8.94,.23,;7.6,1,;8.94,1.77,;7.6,2.54,;6.27,.23,;4.93,-.54,;3.6,-1.31,;2.27,-.54,;.93,-1.31,;-.27,-.35,;-.13,1.19,;-1.55,1.79,;-1.95,3.28,;-.86,4.37,;-3.43,3.68,;-2.56,.63,;-4.05,1.03,;-5.14,-.06,;-6.68,-.06,;-7.45,1.27,;-7.45,-1.39,;-8.94,-1.79,;-7.85,-2.88,;-6.36,-2.48,;-7.45,-4.37,;-1.77,-.69,;-2.44,-2.08,;-1.77,-3.47,;-.27,-3.81,;-.88,-2.37,;.93,-2.85,;2.27,-3.62,;3.6,-2.85,;4.93,-3.62,)|

BDBM158763

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CNC(=O)C4CC4)n3C3CC(C3)c2cc1F |(9.07,-.05,;7.74,.72,;9.07,1.49,;7.74,2.26,;6.4,-.05,;5.07,-.82,;3.73,-1.59,;2.4,-.82,;1.07,-1.59,;-.14,-.63,;0,.91,;-1.42,1.51,;-1.81,3,;-.72,4.09,;-3.3,3.4,;-2.43,.35,;-3.92,.75,;-5,-.34,;-6.49,.06,;-6.89,1.55,;-7.58,-1.03,;-9.07,-1.43,;-7.98,-2.52,;-1.64,-.97,;-2.31,-2.36,;-1.64,-3.75,;-.14,-4.09,;-.69,-2.67,;1.07,-3.13,;2.4,-3.9,;3.73,-3.13,;5.07,-3.9,)|

BDBM158885

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CNC(=O)C4CCC4)n3C3CC(C3)c2cc1F |(8.94,-.05,;7.6,.72,;8.94,1.49,;7.6,2.26,;6.27,-.05,;4.93,-.82,;3.6,-1.59,;2.27,-.82,;.93,-1.59,;-.27,-.63,;-.13,.91,;-1.55,1.51,;-1.95,3,;-.86,4.09,;-3.43,3.4,;-2.56,.35,;-4.05,.75,;-5.14,-.34,;-6.68,-.34,;-7.45,1,;-7.45,-1.67,;-8.94,-2.07,;-8.54,-3.56,;-7.05,-3.16,;-1.77,-.97,;-2.44,-2.36,;-1.77,-3.75,;-.27,-4.09,;-.88,-2.65,;.93,-3.13,;2.27,-3.9,;3.6,-3.13,;4.93,-3.9,)|

BDBM158845

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CNC=O)n3C3CC(C3)c2cc1F |(7.98,-.05,;6.65,.72,;7.98,1.49,;6.65,2.26,;5.31,-.05,;3.98,-.82,;2.65,-1.59,;1.31,-.82,;-.02,-1.59,;-1.23,-.63,;-1.09,.91,;-2.5,1.51,;-2.9,3,;-4.39,3.4,;-1.81,4.09,;-3.52,.35,;-5,.75,;-6.09,-.34,;-7.58,.06,;-7.98,1.55,;-2.73,-.97,;-3.4,-2.36,;-2.73,-3.75,;-1.23,-4.09,;-1.85,-2.57,;-.02,-3.13,;1.31,-3.9,;2.65,-3.13,;3.98,-3.9,)|

BDBM158573

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CO)n3CCOc2cc1F

BDBM158549

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4)n3CCOc2cc1F

BDBM158774

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4Cl)n3C3CC(C3)c2cc1F |(7.91,-1.91,;6.82,-.82,;8.3,-.42,;7.22,.67,;5.33,-1.22,;3.84,-1.62,;2.35,-2.02,;1.27,-.93,;-.22,-1.33,;-1.14,-.09,;-.66,1.38,;-1.91,2.28,;-1.91,3.82,;-.57,4.59,;-3.24,4.59,;-3.15,1.38,;-4.64,1.78,;-5.73,.69,;-5.33,-.8,;-6.42,-1.89,;-7.91,-1.49,;-8.3,-0,;-7.22,1.09,;-7.61,2.57,;-2.68,-.09,;-3.68,-1.33,;-3.39,-2.81,;-2.03,-3.53,;-2.32,-2.07,;-.62,-2.81,;.47,-3.9,;1.96,-3.5,;3.04,-4.59,)|

BDBM158550

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4F)n3CCOc2cc1F

BDBM158773

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C(C)(C)O |(7.36,.36,;6.03,1.13,;7.36,1.9,;5.63,2.62,;4.7,.36,;3.36,-.41,;2.03,-1.18,;.63,-.53,;-.63,-1.42,;-1.91,-.57,;-1.91,.97,;-3.38,1.44,;-3.78,2.93,;-5.26,3.33,;-2.69,4.02,;-4.28,.2,;-3.38,-1.05,;-3.92,-2.49,;-3.13,-3.81,;-1.6,-4.02,;-2.43,-2.26,;-.49,-2.96,;.91,-3.6,;2.17,-2.72,;3.5,-3.49,;-5.82,.2,;-6.59,-1.14,;-7.36,.2,;-6.59,1.53,)|

BDBM158722

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C(F)(F)F |(6.67,-.61,;5.9,.72,;7.24,1.49,;5.9,2.26,;4.57,-.05,;3.24,-.82,;1.9,-1.59,;.57,-.82,;-.77,-1.59,;-1.97,-.63,;-1.83,.91,;-3.25,1.51,;-3.65,3,;-2.56,4.09,;-5.13,3.4,;-4.26,.35,;-3.47,-.97,;-4.14,-2.36,;-3.47,-3.75,;-1.97,-4.09,;-2.52,-2.67,;-.77,-3.13,;.57,-3.9,;1.9,-3.13,;3.24,-3.9,;-5.75,.75,;-6.84,-.34,;-6.15,2.24,;-7.24,1.15,)|

BDBM158848

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C1(O)CCC1 |(7.63,.05,;6.3,.82,;7.63,1.59,;5.9,2.3,;4.97,.05,;3.63,-.72,;2.3,-1.49,;.96,-.72,;-.37,-1.49,;-1.67,-.57,;-1.67,.97,;-3.14,1.44,;-3.54,2.93,;-2.45,4.02,;-5.02,3.33,;-4.04,.2,;-3.14,-1.05,;-3.68,-2.49,;-2.89,-3.81,;-1.36,-4.02,;-2.14,-2.49,;-.37,-3.03,;.96,-3.8,;2.3,-3.03,;3.63,-3.8,;-5.53,.6,;-5.13,-.89,;-6.3,1.93,;-7.63,1.16,;-6.86,-.17,)|

BDBM158865

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C1(O)CN(C1)C(=O)C1CC1 |(9.58,-.05,;8.24,.72,;9.58,1.49,;7.84,2.21,;6.91,-.05,;5.58,-.82,;4.24,-1.59,;2.91,-.82,;1.57,-1.59,;.37,-.63,;.51,.91,;-.91,1.51,;-1.31,3,;-2.79,3.4,;-.22,4.09,;-1.92,.35,;-1.13,-.97,;-1.8,-2.36,;-1.13,-3.75,;.37,-4.09,;-.26,-2.36,;1.57,-3.13,;2.91,-3.9,;4.24,-3.13,;5.58,-3.9,;-3.41,.75,;-3.01,-.74,;-4.18,2.08,;-5.51,1.31,;-4.74,-.02,;-7,1.71,;-7.4,3.2,;-8.09,.62,;-9.58,.23,;-8.49,-.86,)|

BDBM158864

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C1(O)COC1 |(7.54,-.05,;6.21,.72,;7.54,1.49,;6.21,2.26,;4.88,-.05,;3.54,-.82,;2.21,-1.59,;.88,-.82,;-.46,-1.59,;-1.66,-.63,;-1.52,.91,;-2.94,1.51,;-3.34,3,;-4.83,3.4,;-2.25,4.09,;-3.95,.35,;-3.16,-.97,;-3.83,-2.36,;-3.16,-3.75,;-1.66,-4.09,;-2.29,-2.36,;-.46,-3.13,;.88,-3.9,;2.21,-3.13,;3.54,-3.9,;-5.44,.75,;-5.04,-.74,;-6.21,2.08,;-7.54,1.31,;-6.77,-.02,)|

BDBM158936

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)n(C(F)F)c3C3CC(C3)c2cc1F |(6.37,-.61,;5.6,.72,;7.14,.72,;5.6,2.26,;4.27,-.05,;2.93,-.82,;1.6,-1.59,;.27,-.82,;-1.07,-1.59,;-2.27,-.63,;-2.13,.91,;-3.55,1.51,;-3.95,3,;-5.44,3.4,;-2.86,4.09,;-4.56,.35,;-6.05,.75,;-7.14,-.34,;-6.45,2.24,;-3.77,-.97,;-4.44,-2.36,;-3.77,-3.75,;-2.27,-4.09,;-2.88,-2.65,;-1.07,-3.13,;.27,-3.9,;1.6,-3.13,;2.93,-3.9,)|

BDBM158917

CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)n(Cc4ccccc4Cl)c3C3CC(C3)c2cc1F |(7.76,2.06,;6.99,.72,;6.22,2.06,;8.33,-.05,;5.66,-.05,;4.32,-.82,;2.99,-1.59,;1.66,-.82,;.32,-1.59,;-.88,-.63,;-.74,.91,;-2.16,1.51,;-2.56,3,;-1.47,4.09,;-4.05,3.4,;-3.17,.35,;-4.66,.75,;-5.75,-.34,;-5.35,-1.83,;-6.44,-2.92,;-7.93,-2.52,;-8.33,-1.03,;-7.24,.06,;-7.63,1.55,;-2.38,-.97,;-3.05,-2.36,;-2.38,-3.75,;-.88,-4.09,;-1.49,-2.65,;.32,-3.13,;1.66,-3.9,;2.99,-3.13,;4.32,-3.9,)|

BDBM158742

CC(C)(O)C#Cc1cc2-c3nc([nH]c3C3CC(C3)c2cc1F)C(N)=O |(4.08,2.06,;4.85,.72,;5.62,2.06,;6.19,-.05,;3.52,-.05,;2.18,-.82,;.85,-1.59,;-.48,-.82,;-1.82,-1.59,;-3.02,-.63,;-2.88,.91,;-4.3,1.51,;-5.31,.35,;-4.52,-.97,;-5.19,-2.36,;-4.52,-3.75,;-3.02,-4.09,;-3.58,-2.67,;-1.82,-3.13,;-.48,-3.9,;.85,-3.13,;2.18,-3.9,;-4.7,3,;-3.61,4.09,;-6.19,3.4,)|

BDBM50266976

CC(C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |(21.05,-18.64,;21.82,-19.96,;22.58,-18.63,;23.14,-20.72,;20.49,-20.74,;19.14,-21.51,;17.81,-22.28,;16.48,-21.51,;15.14,-22.28,;13.93,-21.32,;14.07,-19.79,;12.65,-19.17,;11.65,-20.33,;12.42,-21.67,;11.76,-23.06,;12.43,-24.44,;13.93,-24.79,;13.28,-23.05,;15.14,-23.82,;16.48,-24.59,;17.81,-23.82,;19.13,-24.59,;12.33,-17.7,;10.82,-17.27,;13.42,-16.6,)|

BDBM158650

CC(C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(O)=O |(4.85,2.26,;4.85,.72,;6.19,1.49,;6.19,-.05,;3.52,-.05,;2.18,-.82,;.85,-1.59,;-.48,-.82,;-1.82,-1.59,;-3.02,-.63,;-2.88,.91,;-4.3,1.51,;-5.31,.35,;-4.52,-.97,;-5.19,-2.36,;-4.52,-3.75,;-3.02,-4.09,;-3.58,-2.59,;-1.82,-3.13,;-.48,-3.9,;.85,-3.13,;2.18,-3.9,;-4.7,3,;-6.19,3.4,;-3.61,4.09,)|

BDBM158711

CC(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1Cl)C(N)=O

BDBM158530

CC(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158615

CC(C)(O)C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O

BDBM50541612

CC(C)(O)C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1

BDBM158915

CC(C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3-c3nnc(s3)C3CC3)-c2c1 |(9.09,1.49,;7.75,.72,;7.75,2.26,;9.09,-.05,;6.42,-.05,;5.09,-.82,;3.75,-1.59,;3.75,-3.13,;2.42,-3.9,;1.09,-3.13,;-.12,-4.09,;-1.62,-3.75,;-2.29,-2.36,;-.73,-2.65,;-1.62,-.97,;-.12,-.63,;.02,.91,;-1.4,1.51,;-1.79,3,;-3.28,3.4,;-.71,4.09,;-2.41,.35,;-3.9,.75,;-4.8,-.5,;-6.27,-.02,;-6.27,1.52,;-4.8,2,;-7.6,2.29,;-8,3.78,;-9.09,2.69,;1.09,-1.59,;2.42,-.82,)|

BDBM158731

CC(C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C(F)(F)F)-c2c1 |(7.24,1.49,;5.9,.72,;7.24,-.05,;5.9,2.26,;4.57,-.05,;3.24,-.82,;1.9,-1.59,;1.9,-3.13,;.57,-3.9,;-.77,-3.13,;-1.97,-4.09,;-3.47,-3.75,;-4.14,-2.36,;-2.52,-2.67,;-3.47,-.97,;-1.97,-.63,;-1.83,.91,;-3.25,1.51,;-3.65,3,;-2.56,4.09,;-5.13,3.4,;-4.26,.35,;-5.75,.75,;-6.84,-.34,;-6.15,2.24,;-7.24,1.15,;-.77,-1.59,;.57,-.82,)|

BDBM158704

CC(C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |(6.19,-.05,;4.85,.72,;6.19,1.49,;4.85,2.26,;3.52,-.05,;2.18,-.82,;.85,-1.59,;.85,-3.13,;-.48,-3.9,;-1.82,-3.13,;-3.02,-4.09,;-4.52,-3.75,;-5.19,-2.36,;-3.58,-2.59,;-4.52,-.97,;-5.31,.35,;-4.3,1.51,;-2.88,.91,;-3.02,-.63,;-1.82,-1.59,;-.48,-.82,;-4.7,3,;-3.61,4.09,;-6.19,3.4,)|

BDBM158534

CC(C)(O)C#Cc1ccc2OCC(=O)c3sc(nc3-c2c1)C(N)=O

BDBM158574

CC(C)(O)C#Cc1ccc2OCC(CC(N)=O)c3sc(nc3-c2c1)C(N)=O

BDBM158567

CC(C)(O)C#Cc1ccc2OCC(CC(O)=O)c3sc(nc3-c2c1)C(N)=O

BDBM158552

CC(C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O

BDBM158536

CC(C)(O)C#Cc1ccc2OCC(N3CCOCC3)c3sc(nc3-c2c1)C(N)=O

BDBM158547

CC(C)(O)C#Cc1ccc2OCC(NC3CCC3)c3sc(nc3-c2c1)C(N)=O

BDBM158537

CC(C)(O)C#Cc1ccc2OCC(O)c3sc(nc3-c2c1)C(N)=O

BDBM159195

CC(C)(O)C#Cc1ccc2OCCc3cc(nn3-c2c1)C(N)=O

BDBM158918

CC(C)(O)C#Cc1ccc2OCCc3nc(cn3-c2n1)C(N)=O

BDBM158528

CC(C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O

BDBM159234

CC(C)(O)C#Cc1ccc2OCCn3c(CN4CCC(=O)C4)c(nc3-c2c1)C(N)=O

BDBM159231

CC(C)(O)C#Cc1ccc2OCCn3c(CN4CCC(C4)C#N)c(nc3-c2c1)C(N)=O

BDBM158866

CC(C)(O)C#Cc1ccc2OCCn3c(CN4CCCC4)c(nc3-c2c1)C(N)=O

BDBM158868

CC(C)(O)C#Cc1ccc2OCCn3c(CN4CCCC4=O)c(nc3-c2c1)C(N)=O

BDBM158913

CC(C)(O)C#Cc1ccc2OCCn3c(CN4CC[C@@H](O)C4)c(nc3-c2c1)C(N)=O |r|

BDBM159233

CC(C)(O)C#Cc1ccc2OCCn3c(CN4CC[C@H](C4)C#N)c(nc3-c2c1)C(N)=O |r|

BDBM159224

CC(C)(O)C#Cc1ccc2OCCn3c(CNC4COC4)c(nc3-c2c1)C(N)=O

BDBM158909

CC(C)(O)C#Cc1ccc2OCCn3c(COc4ccccc4Cl)c(nc3-c2c1)C(N)=O

BDBM158900

CC(C)(O)C#Cc1ccc2OCCn3c(COc4ccccc4F)c(nc3-c2c1)C(N)=O

BDBM159227

CC(C)(O)C#Cc1ccc2OCCn3c(COc4ccccn4)c(nc3-c2c1)C(N)=O

BDBM158920

CC(C)(O)C#Cc1ccc2OCCn3c(Cn4cc5ccc(cc5n4)C#N)c(nc3-c2c1)C(N)=O

BDBM158876

CC(C)(O)C#Cc1ccc2OCCn3c(Cn4cccn4)c(nc3-c2c1)C(N)=O

BDBM158932

CC(C)(O)C#Cc1ccc2OCCn3c(Cn4cnc5ccccc45)c(nc3-c2c1)C(N)=O

BDBM158919

CC(C)(O)C#Cc1ccc2OCCn3c(Cn4ncc5ccc(cc45)C#N)c(nc3-c2c1)C(N)=O

BDBM158902

CC(C)(O)C#Cc1ccc2OCCn3c(Cn4ncc5ccccc45)c(nc3-c2c1)C(N)=O

BDBM158914

CC(C)(O)C#Cc1ccc2OCCn3c(Cn4ncc5cccnc45)c(nc3-c2c1)C(N)=O

BDBM158635

CC(C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3-c3cc[nH]n3)-c2c1

BDBM158629

CC(C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3-c3cn[nH]c3)-c2c1

BDBM158714

CC(C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3-c3nc(n[nH]3)C3CC3)-c2c1

BDBM158723

CC(C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(F)(F)F)-c2c1

BDBM158527

CC(C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O

BDBM158927

CC(C)(O)C#Cc1ccc2O[C@@H](CO)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM158929

CC(C)(O)C#Cc1ccc2O[C@H](CO)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM50429615

CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1

BDBM50549071

CC(C)(O)C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1

BDBM50527767

CC(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12

BDBM681476

CC(C)(O)C#Cc1cccc(c1)-c1ncc2ccnc(N)c2n1

BDBM50457312

CC(C)(O)COc1ccc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N |r|

BDBM158569

CC(C)(O)Cn1cc(cn1)-c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158814

CC(C)(O)Cn1cc(cn1)-c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC1(O)CCCC1)C(N)=O |(-9.83,3.3,;-8.74,2.21,;-9.14,.72,;-10.23,1.81,;-7.25,2.61,;-6.16,1.52,;-4.7,2,;-3.79,.75,;-4.7,-.5,;-6.16,-.02,;-2.31,.35,;-1.29,1.51,;.12,.91,;-.01,-.63,;1.19,-1.59,;2.52,-.82,;3.86,-1.59,;3.86,-3.13,;2.52,-3.9,;1.19,-3.13,;-.01,-4.09,;-1.52,-3.75,;-2.18,-2.36,;-1.05,-2.57,;-1.52,-.97,;5.19,-.82,;6.52,-.05,;7.86,.72,;6.52,1.49,;9.32,.25,;10.23,1.49,;9.32,2.74,;7.86,2.26,;-1.69,3,;-.6,4.09,;-3.18,3.4,)|

BDBM527718

CC(C)(O)Cn1ccc2c(Nc3nccc(n3)-c3cc4c(NCC4(C)C)c(c3)C#N)cc(Cl)cc12

BDBM158849

CC(C)(O)c1c(nc2-c3ccc(F)cc3C3CC(C3)n12)C(N)=O |(-7.19,-1.14,;-6.42,.2,;-7.96,.2,;-7.19,1.53,;-4.88,.2,;-3.97,1.44,;-2.51,.97,;-2.51,-.57,;-1.22,-1.42,;.04,-.53,;1.44,-1.18,;1.57,-2.72,;3.06,-3.11,;.31,-3.6,;-1.08,-2.96,;-2.2,-4.02,;-3.72,-3.81,;-4.51,-2.49,;-2.91,-2.28,;-3.97,-1.05,;-4.37,2.93,;-5.86,3.33,;-3.28,4.02,)|

BDBM523576

CC(C)(c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)[nH]n1)S(C)(=O)=O |r|

BDBM527706

CC(C)C1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2O1 |r|

BDBM523610

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1C |r|

BDBM523673

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CC1CCN(CC(F)(F)F)CC1 |r|

BDBM523679

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CC1CCN(CC(F)F)CC1 |r|

BDBM523678

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CC1CCN(CCF)CC1 |r|

BDBM523613

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CCC(C)C |r|

BDBM523635

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CCN1CCOCC1 |r|

BDBM523637

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CCO |r|

BDBM523631

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1C[C@@H]1COCCO1 |r|

BDBM523630

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1Cc1cncn1C |r|

BDBM523627

CC(C)CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1Cc1nccn1C |r|

BDBM523611

CC(C)CCc1nn(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523612

CC(C)CCc1nn(CCN(C)C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523640

CC(C)CCc1nn(Cc2cncn2C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523620

CC(C)CCn1nc(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523604

CC(C)CCn1nc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N |r|

BDBM527711

CC(C)CN1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2C1=O |r|

BDBM523609

CC(C)Cc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1C |r|

BDBM681495

CC(C)Cc1ccc(cc1-c1ncc2ccnc(N)c2n1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681571

CC(C)Cc1cnc(N)c2nc(ncc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM523608

CC(C)Cc1nn(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523566

CC(C)Cn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523661

CC(C)Cn1nc(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523617

CC(C)Cn1nc(Cl)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523629

CC(C)Cn1nc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)P(C)(C)=O |r|

BDBM523590

CC(C)N(C)C(=O)Cn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM158748

CC(C)N(C)Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.33,-1.03,;-7.24,.06,;-7.63,1.55,;-5.75,-.34,;-5.35,-1.83,;-4.66,.75,;-3.17,.35,;-2.16,1.51,;-.74,.91,;-.88,-.63,;.32,-1.59,;1.66,-.82,;2.99,-1.59,;4.32,-.82,;5.66,-.05,;6.99,.72,;8.33,-.05,;8.33,1.49,;6.99,2.26,;2.99,-3.13,;4.32,-3.9,;1.66,-3.9,;.32,-3.13,;-.88,-4.09,;-2.38,-3.75,;-3.05,-2.36,;-1.44,-2.67,;-2.38,-.97,;-2.56,3,;-1.47,4.09,;-4.05,3.4,)|

BDBM158896

CC(C)N(Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O)C(C)=O |(-8.33,-1.03,;-7.24,.06,;-7.63,1.55,;-5.75,-.34,;-4.66,.75,;-3.17,.35,;-2.16,1.51,;-.74,.91,;-.88,-.63,;.32,-1.59,;1.66,-.82,;2.99,-1.59,;4.32,-.82,;5.66,-.05,;6.99,.72,;6.99,2.26,;8.33,-.05,;8.33,1.49,;2.99,-3.13,;4.32,-3.9,;1.66,-3.9,;.32,-3.13,;-.88,-4.09,;-2.38,-3.75,;-3.05,-2.36,;-1.49,-2.65,;-2.38,-.97,;-2.56,3,;-1.47,4.09,;-4.05,3.4,;-5.35,-1.83,;-6.44,-2.92,;-3.86,-2.22,)|

BDBM527712

CC(C)N1CCCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2C1=O |r|

BDBM527702

CC(C)N1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2C1 |r|

BDBM527701

CC(C)N1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2C1=O |r|

BDBM159119

CC(C)NC(=O)C1Cn2cc(nc2-c2cc(ccc2O1)C#CC1(O)CCCC1)C(N)=O

BDBM159118

CC(C)NC(=O)[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC1(O)CCCC1)C(N)=O |r|

BDBM159176

CC(C)NC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r,wU:23.27,wD:23.26,(-9.67,-1.12,;-8.58,-.03,;-8.98,1.46,;-7.09,-.43,;-6.01,.66,;-6.4,2.15,;-4.52,.26,;-3.61,1.51,;-2.15,1.03,;-2.15,-.51,;-.91,-1.58,;.43,-.81,;1.76,-1.58,;1.76,-3.12,;.43,-3.89,;-.91,-3.12,;-2.11,-4.08,;-3.61,-3.74,;-4.28,-2.35,;-2.67,-2.67,;-3.61,-.98,;3.09,-.81,;4.43,-.04,;5.76,.73,;4.43,1.5,;5.76,2.27,;7.23,2.74,;8.13,1.5,;9.67,1.5,;7.23,.25,;8,-1.08,;-4.01,3,;-5.5,3.39,;-2.92,4.08,)|

BDBM158946

CC(C)NC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM158749

CC(C)NCc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.33,-1.03,;-7.24,.06,;-7.63,1.55,;-5.75,-.34,;-4.66,.75,;-3.17,.35,;-2.16,1.51,;-.74,.91,;-.88,-.63,;.32,-1.59,;1.66,-.82,;2.99,-1.59,;4.32,-.82,;5.66,-.05,;6.99,.72,;8.33,-.05,;8.33,1.49,;6.99,2.26,;2.99,-3.13,;4.32,-3.9,;1.66,-3.9,;.32,-3.13,;-.88,-4.09,;-2.38,-3.75,;-3.05,-2.36,;-1.44,-2.67,;-2.38,-.97,;-2.56,3,;-1.47,4.09,;-4.05,3.4,)|

BDBM159225

CC(C)NCc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM681737

CC(C)Nc1cc(nc2c(N)ncnc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM523703

CC(C)Oc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1C |r|

BDBM50457306

CC(C)Oc1ccc(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527672

CC(C)Oc1nc2CCN(C)Cc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527677

CC(C)Oc1nc2CCN(Cc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C1CC1 |r|

BDBM527673

CC(C)Oc1nc2CCOCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523697

CC(C)Oc1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523716

CC(C)Oc1nn(CCN2CCOCC2)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM159186

CC(C)[C@@]1(O)COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159185

CC(C)[C@]1(O)COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM527700

CC(C)c1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn2CCN(C)Cc12 |r|

BDBM681724

CC(C)c1cc(nc2c(N)ncnc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681539

CC(C)c1nc(nc2c(N)nccc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM681713

CC(C)c1ncnc2ccc(nc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM523713

CC(C)c1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523526

CC(C)n1cc(Cc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cn1

BDBM523531

CC(C)n1ccc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM523542

CC(C)n1ccc(Nc2nccc(n2)-c2cc3c(NC[C@@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523559

CC(C)n1ccc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523721

CC(C)n1nc(Cc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cc1C(=O)N(C)C1CC1 |r|

BDBM523546

CC(C)n1nc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cc1C(=O)NC1CCOCC1

BDBM523674

CC(C)n1nc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cc1C(=O)NC1CC1 |r|

BDBM523602

CC(C)n1nc(cc1Nc1cc(ncn1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C1CCOCC1 |r|

BDBM523720

CC(C)n1nc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C(=O)N(C)C1CC1 |r|

BDBM523719

CC(C)n1nc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C(=O)N1CCCC1 |r|

BDBM523535

CC(C)n1nccc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM50527754

CC(O)(C#Cc1cc(Cl)cc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1

BDBM50527765

CC(O)(C#Cc1cc(F)cc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1

BDBM50527736

CC(O)(C#Cc1cc(c(F)cc1F)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50527748

CC(O)(C#Cc1cc(c(F)cn1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50527772

CC(O)(C#Cc1cc(cc(c1)-n1ccc2cnc(N)nc12)C#N)c1nccs1

BDBM50527738

CC(O)(C#Cc1cc(ccc1C#N)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50527769

CC(O)(C#Cc1cc(ccc1F)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50527722

CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)C(=O)N1CCCC1

BDBM50527743

CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1cnccn1

BDBM50527761

CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM158703

CC(O)(C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F)c1ccccn1

BDBM158685

CC(O)(C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O)c1ccccn1 |(6.19,.87,;4.85,.1,;6.19,-.67,;3.52,-.67,;2.18,-1.44,;.85,-2.21,;-.48,-1.44,;-1.82,-2.21,;-3.02,-1.25,;-2.88,.28,;-4.3,.88,;-5.31,-.28,;-4.52,-1.6,;-5.19,-2.98,;-4.52,-4.37,;-3.02,-4.72,;-3.58,-3.22,;-1.82,-3.75,;-.48,-4.52,;.85,-3.75,;2.18,-4.52,;-4.7,2.37,;-6.19,2.77,;-3.61,3.46,;4.85,1.64,;3.52,2.41,;3.52,3.95,;4.85,4.72,;6.19,3.95,;6.19,2.41,)|

BDBM158687

CC(O)(C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O)c1nc[nH]n1 |(6.19,1.22,;4.85,.45,;6.19,-.32,;3.52,-.32,;2.18,-1.09,;.85,-1.86,;-.48,-1.09,;-1.82,-1.86,;-3.02,-.9,;-2.88,.63,;-4.3,1.24,;-5.31,.08,;-4.52,-1.24,;-5.19,-2.63,;-4.52,-4.02,;-3.02,-4.36,;-3.58,-2.86,;-1.82,-3.4,;-.48,-4.17,;.85,-3.4,;2.18,-4.17,;-4.7,2.73,;-6.19,3.13,;-3.61,3.82,;4.85,1.99,;3.61,2.9,;4.08,4.36,;5.62,4.36,;6.1,2.9,)|

BDBM158728

CC(O)(C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O)c1ncccn1 |(4.85,1.49,;3.52,.72,;3.52,2.26,;2.18,-.05,;.85,-.82,;-.48,-1.59,;-1.82,-.82,;-3.15,-1.59,;-4.35,-.63,;-4.22,.91,;-5.63,1.51,;-6.65,.35,;-5.86,-.97,;-6.52,-2.36,;-5.86,-3.75,;-4.35,-4.09,;-4.91,-2.67,;-3.15,-3.13,;-1.82,-3.9,;-.48,-3.13,;.85,-3.9,;-6.03,3,;-4.94,4.09,;-7.52,3.4,;4.85,-.05,;4.85,-1.59,;6.19,-2.36,;7.52,-1.59,;7.52,-.05,;6.19,.72,)|

BDBM158620

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(=O)N1CC(C1)C#N

BDBM158681

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(=O)N1CC(F)(F)C1

BDBM158578

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(=O)N1CCC1

BDBM158619

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(=O)NC1CC1

BDBM158660

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(=O)NCC(F)F

BDBM47372

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(F)(F)F

BDBM158577

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(N)=O

BDBM158589

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C1(C)CC1

BDBM158816

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1c[nH]cn1

BDBM158836

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(C=C)on1

BDBM158826

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(C=O)on1

BDBM158912

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(CC#N)on1

BDBM158557

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(CO)on1

BDBM158668

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(F)ccn1

BDBM158817

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(on1)C#C

BDBM158911

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cc(on1)C#N

BDBM158627

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ccc(Cl)cn1

BDBM158626

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ccc(F)cn1

BDBM158538

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ccccc1F

BDBM158579

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ccccn1

BDBM158658

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cccnn1

BDBM158680

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ccncn1

BDBM158625

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cn[nH]c1

BDBM158540

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cnccn1

BDBM158539

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cncnc1

BDBM158602

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1nc(CC#N)cs1

BDBM158580

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1nc[nH]n1

BDBM158659

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ncc(F)cn1

BDBM158656

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ncc[nH]1

BDBM158777

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ncccc1F

BDBM158541

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1ncccn1

BDBM158669

CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1nccs1

BDBM158618

CC(O)(C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O)c1ccccn1

BDBM158707

CC(O)(C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O)c1ncn[nH]1

BDBM50527724

CC(O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1

BDBM50527735

CC(O)(C#Cc1ccc(F)c(c1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50541602

CC(O)(C#Cc1ccc(N2CC3CC2CN3)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50541608

CC(O)(C#Cc1ccc(N2CCC(CC2)N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50541597

CC(O)(C#Cc1ccc(N2CCCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50541607

CC(O)(C#Cc1ccc(N2CCN(CC2)S(=O)(=O)C2CC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50541599

CC(O)(C#Cc1ccc(N2CCNCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50541621

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2c(Cl)cnc3[nH]ccc23)c1)c1nccs1

BDBM50541620

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2c(F)cnc3[nH]ccc23)c1)c1nccs1

BDBM50541618

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ccnc(N)n2)c1)c1nccs1

BDBM50541619

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ccnc3[nH]ccc23)c1)c1nccs1

BDBM50541615

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)C1CCCC1

BDBM50541616

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1cccs1

BDBM50541598

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50541622

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ncc23)c1)c1nccs1

BDBM50541623

CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3sccc23)c1)c1nccs1

BDBM50541610

CC(O)(C#Cc1ccc(OC2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50527721

CC(O)(C#Cc1ccc(cc1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM158699

CC(O)(C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O)c1ccccn1 |(4.85,1.49,;3.52,.72,;3.52,2.26,;2.18,-.05,;.85,-.82,;-.48,-1.59,;-.48,-3.13,;-1.82,-3.9,;-3.15,-3.13,;-4.35,-4.09,;-5.86,-3.75,;-6.52,-2.36,;-4.91,-2.59,;-5.86,-.97,;-6.65,.35,;-5.63,1.51,;-4.22,.91,;-4.35,-.63,;-3.15,-1.59,;-1.82,-.82,;-6.03,3,;-4.94,4.09,;-7.52,3.4,;4.85,-.05,;4.85,-1.59,;6.19,-2.36,;7.52,-1.59,;7.52,-.05,;6.19,.72,)|

BDBM158735

CC(O)(C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O)c1nc[nH]n1 |(4.94,1.49,;3.61,.72,;3.61,2.26,;2.27,-.05,;.94,-.82,;-.4,-1.59,;-.4,-3.13,;-1.73,-3.9,;-3.06,-3.13,;-4.27,-4.09,;-5.77,-3.75,;-6.44,-2.36,;-4.82,-2.67,;-5.77,-.97,;-6.56,.35,;-5.54,1.51,;-4.13,.91,;-4.27,-.63,;-3.06,-1.59,;-1.73,-.82,;-5.94,3,;-4.85,4.09,;-7.43,3.4,;4.94,-.05,;6.19,.86,;7.43,-.05,;6.96,-1.51,;5.42,-1.51,)|

BDBM158727

CC(O)(C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O)c1ncccn1 |(4.85,1.49,;3.52,.72,;3.52,2.26,;2.18,-.05,;.85,-.82,;-.48,-1.59,;-.48,-3.13,;-1.82,-3.9,;-3.15,-3.13,;-4.35,-4.09,;-5.86,-3.75,;-6.52,-2.36,;-4.91,-2.67,;-5.86,-.97,;-6.65,.35,;-5.63,1.51,;-4.22,.91,;-4.35,-.63,;-3.15,-1.59,;-1.82,-.82,;-6.03,3,;-4.94,4.09,;-7.52,3.4,;4.85,-.05,;4.85,-1.59,;6.19,-2.36,;7.52,-1.59,;7.52,-.05,;6.19,.72,)|

BDBM50541592

CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1

BDBM159219

CC(O)(C#Cc1ccc2OCCc3cc(nn3-c2c1)C(N)=O)C1CCCO1

BDBM159221

CC(O)(C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O)c1ncns1

BDBM158925

CC(O)(C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O)c1nnco1

BDBM158939

CC(O)(C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O)c1nncs1

BDBM50549066

CC(O)(C#Cc1ccc2nc(O)cc(-c3cn[nH]c3)c2c1)c1nccs1

BDBM50549074

CC(O)(C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1ccccn1

BDBM50549072

CC(O)(C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1cccs1

BDBM50549073

CC(O)(C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1

BDBM50527752

CC(O)(C#Cc1cccc(-c2c[nH]c3cnc(N)nc23)c1F)c1nccs1

BDBM50541593

CC(O)(C#Cc1cccc(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM50527768

CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)C(=O)N1CCCC1

BDBM50527756

CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)C1CCCCC1

BDBM50527760

CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)c1cnccn1

BDBM50527751

CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1

BDBM50527741

CC(O)(C#Cc1cccc(c1)-n1cc(Cl)c2cnc(N)nc12)c1nccs1

BDBM50527734

CC(O)(C#Cc1cccc(c1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50527749

CC(O)(C#Cc1cncc(c1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM50541617

CC(O)(C(=O)Nc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1

BDBM158670

CC(O)(CC#N)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158676

CC(O)(CF)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |(6.19,-.05,;4.85,.72,;4.85,2.26,;6.19,1.49,;6.19,3.03,;3.52,-.05,;2.18,-.82,;.85,-1.59,;-.48,-.82,;-1.82,-1.59,;-3.02,-.63,;-2.88,.91,;-4.3,1.51,;-5.31,.35,;-4.52,-.97,;-5.19,-2.36,;-4.52,-3.75,;-3.02,-4.09,;-3.58,-2.59,;-1.82,-3.13,;-.48,-3.9,;.85,-3.13,;2.18,-3.9,;-4.7,3,;-3.61,4.09,;-6.19,3.4,)|

BDBM158600

CC(O)(CF)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158642

CC(O)(CF)C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O

BDBM158700

CC(O)(CF)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |(5.52,1.49,;4.18,.72,;4.18,2.26,;5.52,-.05,;6.85,.72,;2.85,-.05,;1.52,-.82,;.18,-1.59,;.18,-3.13,;-1.15,-3.9,;-2.48,-3.13,;-3.69,-4.09,;-5.19,-3.75,;-5.86,-2.36,;-4.25,-2.59,;-5.19,-.97,;-5.98,.35,;-4.97,1.51,;-3.55,.91,;-3.69,-.63,;-2.48,-1.59,;-1.15,-.82,;-5.36,3,;-4.28,4.09,;-6.85,3.4,)|

BDBM158638

CC(O)(CF)C#Cc1ccc2OCCn3c(CN4CCOCC4)c(nc3-c2c1)C(N)=O

BDBM158721

CC(O)(CO)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)C4CC4)n3C3CC(C3)c2cc1F |(7.09,2.26,;7.09,.72,;8.42,-.05,;8.42,1.49,;9.75,.72,;5.75,-.05,;4.42,-.82,;3.09,-1.59,;1.75,-.82,;.42,-1.59,;-.78,-.63,;-.65,.91,;-2.06,1.51,;-2.46,3,;-3.95,3.4,;-1.37,4.09,;-3.08,.35,;-4.56,.75,;-5.47,2,;-6.93,1.52,;-6.93,-.02,;-5.47,-.5,;-8.27,2.29,;-8.67,3.78,;-9.75,2.69,;-2.29,-.97,;-2.95,-2.36,;-2.29,-3.75,;-.78,-4.09,;-1.34,-2.67,;.42,-3.13,;1.75,-3.9,;3.09,-3.13,;4.42,-3.9,)|

BDBM158733

CC(O)(CO)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)C4CC4)n3CCOc2cc1F

BDBM158698

CC(O)(CO)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F

BDBM158674

CC(O)(CO)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |(5.52,1.49,;4.18,.72,;3.41,2.06,;5.52,-.05,;6.85,.72,;2.85,-.05,;1.52,-.82,;.18,-1.59,;-1.15,-.82,;-2.48,-1.59,;-3.69,-.63,;-3.55,.91,;-4.97,1.51,;-5.98,.35,;-5.19,-.97,;-5.86,-2.36,;-5.19,-3.75,;-3.69,-4.09,;-4.32,-2.36,;-2.48,-3.13,;-1.15,-3.9,;.18,-3.13,;1.52,-3.9,;-5.36,3,;-6.85,3.4,;-4.28,4.09,)|

BDBM158582

CC(O)(CO)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158614

CC(O)(CO)C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O

BDBM158706

CC(O)(CO)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |(5.52,1.49,;4.18,.72,;4.18,2.26,;5.52,-.05,;6.85,.72,;2.85,-.05,;1.52,-.82,;.18,-1.59,;.18,-3.13,;-1.15,-3.9,;-2.48,-3.13,;-3.69,-4.09,;-5.19,-3.75,;-5.86,-2.36,;-4.25,-2.59,;-5.19,-.97,;-5.98,.35,;-4.97,1.51,;-3.55,.91,;-3.69,-.63,;-2.48,-1.59,;-1.15,-.82,;-5.36,3,;-4.28,4.09,;-6.85,3.4,)|

BDBM158545

CC(O)(CO)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O

BDBM50549077

CC(O)(\C=C\c1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1

BDBM158667

CC(O)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM50429618

CC(O)c1ccc(cc1)-c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1

BDBM50429617

CC(O)c1ccc(s1)-c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1

BDBM681572

CC1(C)CCC(O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C1=O

BDBM681574

CC1(C)CCC(O)(C#Cc2cccc(c2)-c2ncc3c(CN4CCCC4)cnc(N)c3n2)C1=O

BDBM527723

CC1(C)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)cc3[nH]ccc23)n1

BDBM527724

CC1(C)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(F)cc3[nH]ccc23)n1

BDBM527631

CC1(C)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cccc3CCNCc23)n1

BDBM527627

CC1(C)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cccc3CNCc23)n1

BDBM552808

CC1(C)Cc2cccnc2[C@@]1(O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552809

CC1(C)Cc2cccnc2[C@]1(O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM527629

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)cc3CCCOc23)n1

BDBM527636

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)cc3CCOc23)n1

BDBM527638

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)cc3NCCc23)n1

BDBM527721

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)cc3n(CCCN4CCOCC4)ccc23)n1

BDBM527720

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)cc3n(CCN4CCOCC4)ccc23)n1

BDBM527694

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COC(C)(C)Cn3n2)n1

BDBM527691

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COCCn3n2)n1

BDBM523532

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc[nH]n2)n1

BDBM527630

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2ccc3COC(CO)Cc3c2)n1

BDBM527641

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2ccc3NCCc3c2F)n1

BDBM527632

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2ccc3OCCC(F)(F)c3c2)n1

BDBM527625

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnc3CCOCc3c2)n1

BDBM523541

CC1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn(CC(F)F)c2)n1

BDBM523672

CC1(Cn2cc(Cl)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)COC1 |r|

BDBM158953

CC12CCC(O)(C#Cc3ccc4OCCn5cc(nc5-c4c3)C(N)=O)C1O2

BDBM50012070

CC1=CC(=O)c2c(O)cccc2C1=O |t:1|

BDBM527704

CC1CC(C)n2ncc(Nc3nccc(n3)-c3cc4c(NCC4(C)CO)c(c3)C#N)c2O1

BDBM523529

CC1CC(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)N(CC(=O)N(C)C)N1

BDBM527713

CC1CCCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2O1 |r|

BDBM527626

CC1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2O1 |r|

BDBM159205

CC1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1ccccn1 |r|

BDBM159028

CC1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#CC(C)(O)c1nnc(C)o1

BDBM159022

CC1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@@](C)(O)c1nnc(C)o1 |r|

BDBM527667

CC1OCCn2nc(Nc3nccc(n3)-c3cc4c(NCC4(C)C)c(c3)C#N)cc12

BDBM523506

CCC(C)(C)c1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n(C)n1

BDBM50527763

CCC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1nccs1

BDBM527661

CCCCCc1cc2CCN(C)CCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM471697

CCN1CCC(C1)n1cc(-c2nc(N)nc3cn(C)nc23)c2cc(C#CC(C)(C)O)c(F)cc12

BDBM471698

CCN1CCC(C1)n1cc(-c2nc(N)nc3cn(CC)nc23)c2cc(C#CC(C)(C)O)c(F)cc12

BDBM50541604

CCN1CCN(CC1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM681668

CCNc1ncnc2ccc(nc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM523555

CCOCCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM50322999

CCO\C=C1\C(=O)NC(=O)c2ccccc12

BDBM50457813

CCOc1ccn2c(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50502744

CCOc1nc2ccc(cc2n1-c1ccnc(N)n1)C#C[C@@](C)(O)c1ncc(C)o1 |r|

BDBM50502747

CCOc1nc2ccc(cc2n1-c1ccnc(N)n1)C#C[C@](C)(O)c1ncc(C)o1 |r|

BDBM681465

CCOc1ncnc2ccc(nc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM50541606

CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM50609159

CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r|

BDBM50609151

CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1ccnc(N)n1 |r|

BDBM50609146

CC[C@](C)(O)C#Cc1cc2n(ncc2cn1)-c1ccnc(N)n1 |r|

BDBM527684

CCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)ccc2CN(CCc12)C(C)CO |r|

BDBM681748

CCc1cc(nc2c(N)ncnc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50601625

CCc1ccc2ncn(-c3ccnc(N)n3)c2c1

BDBM681570

CCc1cnc(N)c2nc(ncc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM681651

CCc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50527730

CCc1nc(N)nc2n(ccc12)-c1ccnc(c1)C#CC1(O)CCN(C)C1=O

BDBM471704

CCn1cc2nc(N)nc(-c3cn(C4CN(C4)C4CC4)c4cnc(cc34)C#CC(C)(C)O)c2n1

BDBM471702

CCn1cc2nc(N)nc(-c3cn(C4CN(C4)C4CC4)c4cnc(cc34)C#CC(C)(O)C3CC3)c2n1

BDBM471699

CCn1cc2nc(N)nc(-c3cn(C4CN(CC5CC5)C4)c4cc(F)c(cc34)C#CC(C)(C)O)c2n1

BDBM471703

CCn1cc2nc(N)nc(-c3cn(C4CN(CC5CC5)C4)c4cnc(cc34)C#CC(C)(C)O)c2n1

BDBM471696

CCn1cc2nc(N)nc(-c3cn(CCCOC)c4cc(F)c(cc34)C#CC(C)(C)O)c2n1

BDBM471695

CCn1cc2nc(N)nc(-c3cn(CCCOC)c4cc(F)c(cc34)C#CC(C)(O)C3CC3)c2n1

BDBM471701

CCn1cc2nc(N)nc(-c3cn(CCCOC)c4cnc(cc34)C#CC(C)(O)C3CC3)c2n1

BDBM523708

CCn1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1N1CCOCC1 |r|

BDBM527651

CN(C)C(=O)C(=O)N1CCc2c1cc(Cl)cc2Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM158576

CN(C)C(=O)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM50527758

CN(C)C(=O)C(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12

BDBM527639

CN(C)C(=O)C1COc2c(C1)cc(Cl)cc2Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527647

CN(C)C(=O)C1Cc2cc(Nc3nccc(n3)-c3cc4c(NCC4(C)C)c(c3)C#N)ccc2N1

BDBM159116

CN(C)C(=O)C1Cn2cc(nc2-c2cc(ccc2O1)C#CC1(O)CCCC1)C(N)=O

BDBM158568

CN(C)C(=O)CC1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#CC(C)(C)O

BDBM523646

CN(C)C(=O)CN1CCC(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)CC1

BDBM523528

CN(C)C(=O)Cn1ccc(Cc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM523715

CN(C)C(=O)Cn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523626

CN(C)C(=O)Cn1nc(Cl)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM159115

CN(C)C(=O)[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC1(O)CCCC1)C(N)=O |r|

BDBM158575

CN(C)C(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158737

CN(C)C(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r,wU:22.27,wD:22.26,(-9.69,.06,;-8.21,-.34,;-7.81,-1.83,;-7.12,.75,;-7.52,2.24,;-5.63,.35,;-4.62,1.51,;-3.2,.91,;-3.34,-.63,;-2.13,-1.59,;-.8,-.82,;.53,-1.59,;.53,-3.13,;-.8,-3.9,;-2.13,-3.13,;-3.34,-4.09,;-4.84,-3.75,;-5.51,-2.36,;-3.89,-2.67,;-4.84,-.97,;1.87,-.82,;3.2,-.05,;4.53,.72,;5.87,1.49,;4.53,2.26,;5.87,-.05,;7.11,.86,;8.36,-.05,;9.69,.72,;7.88,-1.51,;6.34,-1.51,;-5.01,3,;-6.5,3.4,;-3.93,4.09,)|

BDBM523597

CN(C)C(=O)c1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n(C)n1

BDBM523556

CN(C)C(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1C |r|

BDBM527728

CN(C)C(=O)c1cc2cc(Nc3nccc(n3)-c3cc4c(NCC4(C)C)c(c3)C#N)ccc2[nH]1

BDBM50527771

CN(C)C(=O)c1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12

BDBM523659

CN(C)C(=O)c1sc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nc1C |r|

BDBM527649

CN(C)C1COc2c(C1)cc(Cl)cc2Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM158710

CN(C)C1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#CC(C)(C)O

BDBM158793

CN(C)C1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#CC(C)(O)c1ccccn1

BDBM158535

CN(C)C1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#CC(C)(C)O

BDBM527648

CN(C)CC(=O)N1CCc2c1c(Cl)cc(Nc1nccc(n1)-c1cc3c(NC[C@]3(C)CO)c(c1)C#N)c2C |r|

BDBM527642

CN(C)CC(=O)N1CCc2c1cc(Cl)cc2Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527652

CN(C)CC(=O)N1CCc2c1ccc(Nc1nccc(n1)-c1cc3c(NCC3(C)CO)c(c1)C#N)c2F

BDBM527646

CN(C)CC(=O)N1CCc2c1ccc(Nc1nccc(n1)-c1cc3c(NC[C@]3(C)CO)c(c1)C#N)c2C |r|

BDBM50549069

CN(C)CCN(C)c1cc(-c2cn[nH]c2)c2cc(ccc2n1)C#CC(C)(O)c1nccs1

BDBM50541596

CN(C)CCN(C)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM158591

CN(C)CCNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM50527740

CN(C)CCOc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12

BDBM523522

CN(C)CCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM158739

CN(C)Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-7.78,.06,;-6.29,-.34,;-5.89,-1.83,;-5.2,.75,;-3.72,.35,;-2.7,1.51,;-1.29,.91,;-1.43,-.63,;-.22,-1.59,;1.11,-.82,;2.45,-1.59,;3.78,-.82,;5.11,-.05,;6.45,.72,;6.45,2.26,;7.78,-.05,;7.78,1.49,;2.45,-3.13,;3.78,-3.9,;1.11,-3.9,;-.22,-3.13,;-1.43,-4.09,;-2.93,-3.75,;-3.6,-2.36,;-1.98,-2.67,;-2.93,-.97,;-3.1,3,;-2.01,4.09,;-4.59,3.4,)|

BDBM158897

CN(C)Cc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM681613

CN(C)Cc1cnc(N)c2nc(ccc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681576

CN(C)Cc1cnc(N)c2nc(ncc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM158755

CN(C)[C@@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#CC(C)(C)O |r|

BDBM158779

CN(C)[C@@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM158781

CN(C)[C@@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1noc(C)n1 |r|

BDBM158757

CN(C)[C@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#CC(C)(C)O |r|

BDBM158782

CN(C)[C@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM158783

CN(C)[C@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1noc(C)n1 |r|

BDBM681735

CN(C)c1cc(nc2c(N)ncnc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50541594

CN(C)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM681499

CN(C)c1nc(nc2c(N)nccc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM681466

CN(C)c1ncnc2ccc(nc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM523600

CN(C1CC1)C(=O)Cn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523628

CN(C1CC1)C(=O)Cn1nc(Cl)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523684

CN(CCO)C[C@@]1(C)CNc2c1cc(cc2C#N)-c1ccnc(Nc2ccn(C)n2)n1 |r|

BDBM552865

CN1C(=O)[C@@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552864

CN1C(=O)[C@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM158555

CN1C2CCC1CC(O)(C2)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |TLB:10:7:3.4:1,THB:8:7:3.4:1|

BDBM681758

CN1C2C[C@@H]2[C@@](O)(C#Cc2ccc(C)c(c2)-c2nc3c(N)ncnc3s2)C1=O |r|

BDBM681716

CN1C2C[C@H]2[C@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C1=O |r|

BDBM158608

CN1CC(C1)NC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM50457314

CN1CC(F)C(C1)Oc1ccc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N |r|

BDBM158607

CN1CCC(C1)NC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158597

CN1CCC(CC1)NC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM50541611

CN1CCC(CC1)Oc1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM50464606

CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|

BDBM50549078

CN1CCC(CC1)n1cc(-c2c[nH]nc2Cl)c2cc(C#CC(C)(C)O)c(F)cc12

BDBM523523

CN1CCC(CC1)n1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cn1

BDBM523632

CN1CCC(CC1)n1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(C)n1 |r|

BDBM523548

CN1CCC(CC1)n1ccc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523573

CN1CCC(CC1)n1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523633

CN1CCC(CC1)n1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1C |r|

BDBM523549

CN1CCC(CC1)n1nccc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM158593

CN1CCC(CNC(=O)c2c(nc3-c4cc(C#CC(C)(C)O)c(F)cc4OCCn23)C(N)=O)C1

BDBM523594

CN1CCC(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM523681

CN1CCC(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1=O |r|

BDBM523687

CN1CCC(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)COC(C)=O)c(c2)C#N)CC1 |r|

BDBM523634

CN1CCC(Cn2nc(Cl)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM523641

CN1CCC(F)(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM523670

CN1CCC(F)(Cn2nc(Cl)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM158831

CN1CCC(O)(C#Cc2c(nc3-c4cc(ccc4C4CC(C4)n23)C#CC2(O)CCN(C)C2=O)C(N)=O)C1=O |(-8.08,-2.63,;-8.08,-1.09,;-9.33,-.19,;-8.85,1.28,;-7.31,1.28,;-7.71,2.76,;-5.83,.88,;-4.34,.48,;-2.85,.08,;-1.84,1.24,;-.42,.63,;-.56,-.9,;.64,-1.86,;1.98,-1.09,;3.31,-1.86,;3.31,-3.4,;1.98,-4.17,;.64,-3.4,;-.56,-4.36,;-2.06,-4.02,;-2.73,-2.63,;-1.2,-2.89,;-2.06,-1.24,;4.65,-1.09,;5.98,-.32,;7.31,.45,;7.31,-1.09,;8.85,.45,;9.33,1.91,;8.08,2.82,;8.08,4.36,;6.84,1.91,;5.5,2.68,;-2.24,2.73,;-3.72,3.13,;-1.15,3.82,;-6.84,-.19,;-5.5,-.96,)|

BDBM681517

CN1CCC(O)(C#Cc2cc(C)cc(c2)-c2ncc3c(C)cnc(N)c3n2)C1=O

BDBM681481

CN1CCC(O)(C#Cc2cc(ccc2C)-c2ncc3ccnc(N)c3n2)C1=O

BDBM50527764

CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3c(C)nc(N)nc23)C1=O

BDBM50527750

CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3ccc(N)nc23)C1=O

BDBM50527744

CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O

BDBM158828

CN1CCC(O)(C#Cc2cc3-c4nc(C(N)=O)c(Cc5ccnn5C)n4C4CC(C4)c3cc2F)C1=O |(6.89,4.33,;7.29,2.85,;8.53,1.94,;8.06,.48,;6.52,.48,;7.29,-.86,;5.18,-.29,;3.85,-1.06,;2.52,-1.83,;1.18,-1.06,;-.15,-1.83,;-1.36,-.87,;-1.22,.66,;-2.63,1.27,;-3.03,2.75,;-4.52,3.15,;-1.94,3.84,;-3.65,.11,;-5.13,.5,;-6.22,-.58,;-5.75,-2.05,;-6.99,-2.95,;-8.24,-2.05,;-7.76,-.58,;-8.53,.75,;-2.86,-1.22,;-3.52,-2.6,;-2.86,-3.99,;-1.36,-4.33,;-1.98,-2.6,;-.15,-3.37,;1.18,-4.14,;2.52,-3.37,;3.85,-4.14,;6.04,1.94,;4.71,2.71,)|

BDBM158753

CN1CCC(O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O

BDBM158751

CN1CCC(O)(C#Cc2cc3-c4nc(sc4CCOc3cc2F)C(N)=O)C1=O

BDBM681512

CN1CCC(O)(C#Cc2ccc(C)c(c2)-c2ccc3ccnc(N)c3c2)C1=O

BDBM681444

CN1CCC(O)(C#Cc2ccc(C)c(c2)-c2ccc3ncnc(N)c3n2)C1=O

BDBM681451

CN1CCC(O)(C#Cc2ccc(C)c(c2)-c2nc3c(N)ncnc3s2)C1=O

BDBM681506

CN1CCC(O)(C#Cc2ccc(C)c(c2)-c2ncc3c(C)cnc(N)c3n2)C1=O

BDBM50527759

CN1CCC(O)(C#Cc2ccc(F)c(c2)-c2c[nH]c3cnc(N)nc23)C1=O

BDBM681470

CN1CCC(O)(C#Cc2ccc(OC(F)(F)F)c(c2)-c2ccc3ncnc(N)c3n2)C1=O

BDBM681497

CN1CCC(O)(C#Cc2ccc(OC(F)(F)F)c(c2)-c2ncc3ccnc(N)c3n2)C1=O

BDBM158752

CN1CCC(O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O

BDBM158791

CN1CCC(O)(C#Cc2ccc3OCCn4cc(nc4-c3c2)C(N)=O)C1=O

BDBM50527757

CN1CCC(O)(C#Cc2cccc(c2)-c2c[nH]c3cnc(N)nc23)C1=O

BDBM681567

CN1CCC(O)(C#Cc2cccc(c2)-c2cc(C#N)c3ncnc(N)c3c2)C1=O

BDBM681551

CN1CCC(O)(C#Cc2cccc(c2)-c2cc(C)c3ncnc(N)c3c2)C1=O

BDBM681469

CN1CCC(O)(C#Cc2cccc(c2)-c2cc(C)c3ncnc(N)c3n2)C1=O

BDBM681556

CN1CCC(O)(C#Cc2cccc(c2)-c2cc(c3ncnc(N)c3c2)C(F)(F)F)C1=O

BDBM681560

CN1CCC(O)(C#Cc2cccc(c2)-c2cc3c(N)nccc3cn2)C1=O

BDBM681577

CN1CCC(O)(C#Cc2cccc(c2)-c2cc3c(N)ncnc3c(C)n2)C1=O

BDBM681615

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3[nH]nc(N)c3c2)C1=O

BDBM681463

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3[nH]nc(N)c3n2)C1=O

BDBM681561

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3c(C)cnc(N)c3n2)C1=O

BDBM681559

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3c(cnc(N)c3n2)C#N)C1=O

BDBM681460

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3ccnc(N)c3n2)C1=O

BDBM681537

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3cnnc(N)c3c2)C1=O

BDBM681462

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3n(C)nc(N)c3n2)C1=O

BDBM681447

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O

BDBM681662

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3nc[nH]c(=O)c3n2)C1=O

BDBM681464

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3ncnc(C)c3n2)C1=O

BDBM681457

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3c2)C1=O

BDBM681449

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C1=O

BDBM681467

CN1CCC(O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CCC4)c3n2)C1=O

BDBM681550

CN1CCC(O)(C#Cc2cccc(c2)-c2cnc3ncnc(N)c3c2)C1=O

BDBM681456

CN1CCC(O)(C#Cc2cccc(c2)-c2cnc3ncnc(N)c3n2)C1=O

BDBM681579

CN1CCC(O)(C#Cc2cccc(c2)-c2nc(C)c3c(C)cnc(N)c3n2)C1=O

BDBM681478

CN1CCC(O)(C#Cc2cccc(c2)-c2nc(C)c3ccnc(N)c3n2)C1=O

BDBM681445

CN1CCC(O)(C#Cc2cccc(c2)-c2nc(C)c3ncnc(N)c3n2)C1=O

BDBM681498

CN1CCC(O)(C#Cc2cccc(c2)-c2nc(N3CCOCC3)c3ccnc(N)c3n2)C1=O

BDBM681479

CN1CCC(O)(C#Cc2cccc(c2)-c2nc(c3ccnc(N)c3n2)C(F)(F)F)C1=O

BDBM681557

CN1CCC(O)(C#Cc2cccc(c2)-c2nc3c(N)nccc3s2)C1=O

BDBM681542

CN1CCC(O)(C#Cc2cccc(c2)-c2nc3c(N)ncnc3s2)C1=O

BDBM681480

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(C)cnc(N)c3n2)C1=O

BDBM681543

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(I)cnc(N)c3n2)C1=O

BDBM681566

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2c(C)n[nH]c2C)C1=O |(-8.94,3.27,;-7.41,3.11,;-6.64,1.77,;-5.14,2.09,;-4.98,3.62,;-4.21,4.96,;-3.44,3.62,;-1.9,3.62,;-.36,3.62,;.41,4.96,;1.95,4.96,;2.72,3.62,;1.95,2.29,;.41,2.29,;2.72,.96,;4.26,.96,;5.03,-.38,;4.26,-1.71,;5.03,-3.05,;4.26,-4.38,;2.72,-4.38,;1.95,-3.05,;.41,-3.05,;2.72,-1.71,;1.95,-.38,;6.57,-3.05,;7.48,-1.8,;7,-.33,;8.94,-2.28,;8.94,-3.82,;7.48,-4.29,;7,-5.76,;-6.38,4.25,;-6.7,5.76,)|

BDBM681562

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2ccccc2)C1=O

BDBM681565

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2cn[nH]c2)C1=O

BDBM681568

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2cn[nH]c2C)C1=O

BDBM681563

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2cnn(C)c2)C1=O

BDBM681564

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2cnn(CC(C)(C)O)c2)C1=O

BDBM681575

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2cnn(CCN)c2)C1=O

BDBM681541

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)C#N)C1=O

BDBM681569

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)C(=O)Oc2ccccc2)C1=O

BDBM681540

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)C(F)(F)F)C1=O

BDBM681471

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3cc[nH]c(=O)c3n2)C1=O

BDBM681436

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3ccnc(N)c3n2)C1=O

BDBM681455

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3nc(C)nc(N)c3n2)C1=O

BDBM681454

CN1CCC(O)(C#Cc2cccc(c2)-c2ncc3ncnc(N)c3n2)C1=O

BDBM681461

CN1CCC(O)(C#Cc2cccc(c2)N2CCc3ccnc(N)c3C2)C1=O

BDBM158548

CN1CCC(O)(C1)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O

BDBM158603

CN1CCCC(C1)NC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM523650

CN1CCCC(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)C1 |r|

BDBM50527745

CN1CCCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O

BDBM158666

CN1CCCC(O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O

BDBM158665

CN1CCCC(O)(C#Cc2cc3-c4nc(sc4CCOc3cc2F)C(N)=O)C1=O

BDBM158682

CN1CCCC(O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O

BDBM158683

CN1CCCC(O)(C#Cc2ccc3OCCn4cc(nc4-c3c2)C(N)=O)C1=O

BDBM158598

CN1CCCC1CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM50541609

CN1CCCN(CC1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM159034

CN1CCC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159163

CN1CCC[C@@](O)(C#Cc2ccc3OCCn4c(nc(C(N)=O)c4C(=O)NC4CCOCC4)-c3c2)C1=O |r|

BDBM681628

CN1CCC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O |r|

BDBM552828

CN1CCC[C@@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM681627

CN1CCC[C@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O |r|

BDBM681640

CN1CCC[C@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C1=O |r|

BDBM523693

CN1CCN(CC1)C(=O)c1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM50549070

CN1CCN(CC1)c1cc(-c2cn[nH]c2)c2cc(ccc2n1)C#CC(C)(O)c1nccs1

BDBM50541603

CN1CCN(CC1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM50463484

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

BDBM158596

CN1CCN(CCNC(=O)c2c(nc3-c4cc(C#CC(C)(C)O)c(F)cc4OCCn23)C(N)=O)CC1

BDBM523718

CN1CCN(Cc2c(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cnn2C)CC1 |r|

BDBM523677

CN1CCN(Cc2c(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cnn2CCC2CC2)CC1 |r|

BDBM158740

CN1CCN(Cc2c(nc3-c4cc(C#CC(C)(C)O)c(F)cc4C4CC(C4)n23)C(N)=O)CC1 |(-8.67,-3.61,;-7.58,-2.52,;-7.98,-1.03,;-6.89,.06,;-5.4,-.34,;-4.31,.75,;-2.83,.35,;-1.81,1.51,;-.4,.91,;-.54,-.63,;.67,-1.59,;2,-.82,;3.34,-1.59,;4.67,-.82,;6,-.05,;7.34,.72,;7.34,2.26,;8.67,-.05,;8.67,1.49,;3.34,-3.13,;4.67,-3.9,;2,-3.9,;.67,-3.13,;-.54,-4.09,;-2.04,-3.75,;-2.71,-2.36,;-1.09,-2.67,;-2.04,-.97,;-2.21,3,;-1.12,4.09,;-3.7,3.4,;-5,-1.83,;-6.09,-2.92,)|

BDBM158819

CN1CCN(Cc2c(nc3-c4cc(ccc4OCCn23)C#CC(C)(C)O)C(N)=O)CC1

BDBM523676

CN1CCN(Cc2nn(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM523694

CN1CCN(Cc2nn(CC(F)F)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM523724

CN1CCOCC1c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1C |r|

BDBM523667

CN1CCO[C@@H](Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)C1 |r|

BDBM523649

CN1CCO[C@H](Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)C1 |r|

BDBM523671

CN1CC[C@@H](Cn2nc(Cl)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)C1 |r|

BDBM681646

CN1CC[C@@](C#Cc2cccc(c2)C2=NC3C(C=C2)N=CN=C3N)(C(F)F)C1=O |r,c:18,21,23,t:14|

BDBM681594

CN1CC[C@@](O)(C#Cc2cc(C)cc(c2)-c2nc3c(N)ncnc3s2)C1=O |r|

BDBM681483

CN1CC[C@@](O)(C#Cc2cc(C)cc(c2)-c2ncc3ccnc(N)c3n2)C1=O |r|

BDBM681593

CN1CC[C@@](O)(C#Cc2cc(ccc2C)-c2nc3c(N)ncnc3s2)C1=O |r|

BDBM158856

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c(C)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.5,wD:4.4,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;-.18,-.99,;-1.51,-1.76,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-4.22,-1.14,;-4.88,-2.53,;-4.22,-3.91,;-2.71,-4.26,;-3.83,-2.83,;-1.51,-3.3,;-.18,-4.07,;1.16,-3.3,;2.49,-4.07,;3.91,1.46,;2.58,.69,)|

BDBM158858

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c(C5CC5)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.5,wD:4.4,(4.36,4.26,;5.13,2.92,;6.67,2.92,;7.15,1.46,;5.9,.55,;7.24,-.22,;4.57,-.22,;3.24,-.99,;1.9,-1.76,;.57,-.99,;-.77,-1.76,;-1.97,-.8,;-1.83,.74,;-3.25,1.34,;-3.65,2.83,;-2.56,3.92,;-5.13,3.23,;-4.26,.18,;-5.75,.58,;-6.84,1.67,;-7.24,.18,;-3.47,-1.14,;-4.14,-2.53,;-3.47,-3.91,;-1.97,-4.26,;-2.64,-2.86,;-.77,-3.3,;.57,-4.07,;1.9,-3.3,;3.24,-4.07,;4.66,1.46,;3.32,.69,)|

BDBM158943

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c(C5CC5)n4CCOc3cc2F)C1=O |r|

BDBM158923

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c(CN5CCCC5)n4CCOc3cc2F)C1=O |r|

BDBM158847

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c([C@@H](O)c5ccnn5C)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.5,wD:4.4,18.18,(5.32,4.26,;6.09,2.92,;7.63,2.92,;8.1,1.46,;6.86,.55,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;1.52,-.99,;.19,-1.76,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;-2.52,-1.14,;-3.18,-2.53,;-2.52,-3.91,;-1.01,-4.26,;-1.64,-2.53,;.19,-3.3,;1.52,-4.07,;2.86,-3.3,;4.19,-4.07,;5.61,1.46,;4.28,.69,)|

BDBM158844

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c([C@H](O)c5ccnn5C)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.5,18.18,wD:4.4,(5.32,4.26,;6.09,2.92,;7.63,2.92,;8.1,1.46,;6.86,.55,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;1.52,-.99,;.19,-1.76,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;-2.52,-1.14,;-3.18,-2.53,;-2.52,-3.91,;-1.01,-4.26,;-1.64,-2.53,;.19,-3.3,;1.52,-4.07,;2.86,-3.3,;4.19,-4.07,;5.61,1.46,;4.28,.69,)|

BDBM158852

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)c(n4C4CC(C4)c3cc2F)C(C)(C)O)C1=O |r,wU:4.5,wD:4.4,(4.05,4.9,;4.82,3.57,;6.36,3.57,;6.83,2.11,;5.59,1.2,;7.07,.8,;4.5,.11,;3.41,-.98,;2.32,-2.07,;.92,-1.42,;-.34,-2.31,;-1.62,-1.46,;-1.62,.08,;-3.09,.56,;-3.49,2.05,;-4.97,2.44,;-2.4,3.14,;-3.99,-.69,;-3.09,-1.93,;-3.63,-3.37,;-2.84,-4.7,;-1.31,-4.9,;-2.02,-3.16,;-.2,-3.84,;1.2,-4.49,;2.46,-3.6,;3.79,-4.37,;-5.53,-.69,;-6.3,-2.02,;-7.07,-.69,;-6.3,.65,;4.34,2.11,;3.01,1.34,)|

BDBM158906

CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)n(C)c4C4CC(C4)c3cc2F)C1=O |r,wU:4.5,wD:4.4,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;-.18,-.99,;-1.51,-1.76,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-4.22,-1.14,;-4.88,-2.53,;-4.22,-3.91,;-2.71,-4.26,;-3.33,-2.82,;-1.51,-3.3,;-.18,-4.07,;1.16,-3.3,;2.49,-4.07,;3.91,1.46,;2.58,.69,)|

BDBM158825

CN1CC[C@@](O)(C#Cc2cc3-c4nc(cn4C4CC(C4)c3cc2F)C(N)=O)C1=O |r,wU:4.5,wD:4.4,(3.44,4.43,;4.21,3.09,;5.75,3.09,;6.23,1.63,;4.98,.72,;6.31,-.05,;3.65,-.05,;2.31,-.82,;.98,-1.59,;-.42,-.94,;-1.68,-1.83,;-2.96,-.98,;-2.96,.56,;-4.43,1.04,;-5.33,-.21,;-4.43,-1.45,;-4.97,-2.9,;-4.18,-4.22,;-2.65,-4.43,;-3.43,-2.9,;-1.54,-3.36,;-.14,-4.01,;1.12,-3.12,;2.45,-3.89,;-4.83,2.52,;-3.74,3.61,;-6.31,2.92,;3.73,1.63,;2.4,.86,)|

BDBM158788

CN1CC[C@@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O |r|

BDBM159078

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4C(C)(O)COc3cc2F)C(N)=O)C1=O |r|

BDBM159164

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4C(F)(F)COc3cc2F)C(N)=O)C1=O |r|

BDBM159052

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4C(F)COc3cc2F)C(N)=O)C1=O |r|

BDBM158960

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@@H](F)COc3cc2F)C(N)=O)C1=O |r|

BDBM159179

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@@H](O)COc3cc2F)C(N)=O)C1=O |r|

BDBM159173

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@@](C)(F)COc3cc2F)C(N)=O)C1=O |r|

BDBM158964

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@@](C)(O)COc3cc2F)C(N)=O)C1=O |r|

BDBM158963

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@H](F)COc3cc2F)C(N)=O)C1=O |r|

BDBM159180

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@H](O)COc3cc2F)C(N)=O)C1=O |r|

BDBM159174

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@](C)(F)COc3cc2F)C(N)=O)C1=O |r|

BDBM158962

CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4[C@](C)(O)COc3cc2F)C(N)=O)C1=O |r|

BDBM158955

CN1CC[C@@](O)(C#Cc2cc3-c4sc(cc4CCOc3cc2F)C(N)=O)C1=O |r|

BDBM681511

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2ccc3ccnc(N)c3c2)C1=O

BDBM681591

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O |r|

BDBM681590

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2ccc3ncnc(N)c3n2)C1=O |r|

BDBM681741

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2nc(C)c3ncnc(N)c3n2)C1=O |r|

BDBM681623

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2nc3c(N)nc(C)nc3s2)C1=O |r|

BDBM681657

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2nc3c(N)ncnc3s2)C1=O |r|

BDBM681484

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2ncc3ccnc(N)c3n2)C1=O |r|

BDBM681629

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)-c2ncc3ncnc(N)c3n2)C1=O |r|

BDBM681661

CN1CC[C@@](O)(C#Cc2ccc(C)c(c2)N2CCc3ncnc(N)c3C2)C1=O |r|

BDBM681678

CN1CC[C@@](O)(C#Cc2ccc(OC(F)(F)F)c(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O |r|

BDBM681712

CN1CC[C@@](O)(C#Cc2ccc(OC(F)(F)F)c(c2)-c2ccc3ncnc(N)c3n2)C1=O |r|

BDBM159190

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)c4c(nc(C(N)=O)n4C)-c3c2)C1=O |r,wU:4.5,wD:4.4,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;1.16,-3.3,;-.18,-4.07,;-1.51,-3.3,;-2.71,-4.26,;-4.22,-3.91,;-4.88,-2.53,;-3.27,-2.84,;-4.22,-1.14,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-1.51,-1.76,;-.18,-.99,;3.91,1.46,;2.58,.69,)|

BDBM159193

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)c4c(nc(C(N)=O)n4Cc4nn(C)c5ccccc45)-c3c2)C1=O |r,wU:4.5,wD:4.4,(8.35,2.84,;8.35,1.3,;9.59,.4,;9.12,-1.07,;7.58,-1.07,;6.81,-2.4,;6.09,-1.46,;4.6,-1.86,;3.11,-2.26,;2.77,-3.76,;1.3,-4.22,;.17,-3.17,;-1.22,-3.84,;-2.6,-3.17,;-2.95,-1.67,;-1.62,-2.35,;-1.99,-.46,;-.45,-.46,;.03,1,;-1.22,1.91,;-1.22,3.45,;.12,4.22,;-2.55,4.22,;-2.46,1,;-3.95,1.4,;-5.04,.31,;-4.56,-1.15,;-5.81,-2.06,;-6.21,-3.55,;-7.06,-1.15,;-8.56,-1.47,;-9.59,-.33,;-9.12,1.14,;-7.61,1.46,;-6.58,.31,;.51,-1.67,;1.98,-1.21,;7.1,.4,;5.77,1.17,)|

BDBM159132

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)c4sc(nc4-c3c2)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(7.07,-2.02,;6.17,-.78,;6.62,.72,;5.37,1.63,;4.13,.72,;3.36,2.06,;2.79,-.05,;1.46,-.82,;.12,-1.59,;.12,-3.13,;-1.21,-3.9,;-2.54,-3.13,;-3.75,-4.09,;-5.25,-3.75,;-5.92,-2.36,;-4.36,-2.66,;-5.25,-.97,;-6.04,.35,;-5.03,1.51,;-3.61,.91,;-3.75,-.63,;-2.54,-1.59,;-1.21,-.82,;-5.42,3,;-4.33,4.09,;-6.91,3.4,;4.6,-.74,;3.83,-2.08,)|

BDBM158930

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(CN5CCCC5)c(nc4-c3c2)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(9.33,1.49,;7.79,1.49,;6.89,2.74,;5.42,2.26,;5.42,.72,;4.09,1.49,;4.09,-.05,;2.76,-.82,;1.42,-1.59,;1.42,-3.13,;.09,-3.9,;-1.25,-3.13,;-2.45,-4.09,;-3.95,-3.75,;-4.62,-2.36,;-3.06,-2.65,;-3.95,-.97,;-4.74,.35,;-6.23,.75,;-7.32,-.34,;-8.86,-.34,;-9.33,-1.8,;-8.09,-2.71,;-6.84,-1.8,;-3.73,1.51,;-2.31,.91,;-2.45,-.63,;-1.25,-1.59,;.09,-.82,;-4.13,3,;-3.04,4.09,;-5.61,3.4,;6.89,.25,;7.66,-1.09,)|

BDBM158948

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(COc5ccccc5Cl)c(nc4-c3c2)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(10.23,1.33,;8.69,1.33,;7.78,2.58,;6.32,2.1,;6.32,.56,;4.99,1.33,;4.99,-.21,;3.65,-.98,;2.32,-1.75,;2.32,-3.29,;.99,-4.06,;-.35,-3.29,;-1.55,-4.25,;-3.05,-3.91,;-3.72,-2.52,;-2.16,-2.81,;-3.05,-1.13,;-3.84,.19,;-5.33,.59,;-5.73,2.08,;-7.23,2.43,;-7.68,3.9,;-9.18,4.25,;-10.23,3.12,;-9.78,1.65,;-8.28,1.3,;-7.83,-.17,;-2.83,1.35,;-1.41,.75,;-1.55,-.79,;-.35,-1.75,;.99,-.98,;-3.23,2.84,;-2.14,3.93,;-4.72,3.24,;7.78,.09,;8.55,-1.25,)|

BDBM158833

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(Cc5ccccc5Cl)c(nc4-c3c2)C(N)=O)C1=O |r,wU:4.5,wD:4.4,(5.32,4.26,;6.09,2.92,;7.63,2.92,;8.1,1.46,;6.86,.55,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.62,-2.86,;-2.52,-1.14,;-3.31,.18,;-4.79,.58,;-5.88,-.51,;-5.11,-1.84,;-5.88,-3.17,;-7.42,-3.17,;-8.19,-1.84,;-7.42,-.51,;-8.19,.83,;-2.29,1.34,;-.88,.74,;-1.01,-.8,;.19,-1.76,;1.52,-.99,;-2.69,2.83,;-1.6,3.92,;-4.18,3.23,;5.61,1.46,;4.28,.69,)|

BDBM158924

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(Cn5c(C)nc6ccccc56)c(nc4-c3c2)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(9.48,1.88,;7.94,1.88,;7.03,3.13,;5.57,2.65,;5.57,1.11,;4.24,1.88,;4.24,.34,;2.9,-.43,;1.57,-1.2,;1.57,-2.74,;.24,-3.51,;-1.1,-2.74,;-2.3,-3.7,;-3.8,-3.36,;-4.47,-1.97,;-2.91,-2.27,;-3.8,-.58,;-4.59,.74,;-6.08,1.14,;-7.17,.05,;-8.71,.05,;-9.48,1.38,;-9.19,-1.41,;-7.94,-2.32,;-7.78,-3.85,;-6.37,-4.48,;-5.13,-3.57,;-5.29,-2.04,;-6.69,-1.41,;-3.58,1.9,;-2.16,1.3,;-2.3,-.24,;-1.1,-1.2,;.24,-.43,;-3.98,3.39,;-2.89,4.48,;-5.47,3.79,;7.03,.64,;7.8,-.7,)|

BDBM159175

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(nc(C(N)=O)c4C(=O)NC4CC4)-c3c2)C1=O |r,wU:4.4,wD:4.5,(9.87,1.5,;8.33,1.5,;7.43,2.74,;5.96,2.27,;5.96,.73,;4.63,1.5,;4.63,-.04,;3.29,-.81,;1.96,-1.58,;1.96,-3.12,;.63,-3.89,;-.71,-3.12,;-1.91,-4.08,;-3.41,-3.74,;-4.08,-2.35,;-2.47,-2.67,;-3.41,-.98,;-1.95,-.51,;-1.95,1.03,;-3.41,1.51,;-3.81,3,;-5.3,3.39,;-2.72,4.08,;-4.32,.26,;-5.81,.66,;-6.2,2.15,;-6.9,-.43,;-8.38,-.03,;-9.47,1.06,;-9.87,-.43,;-.71,-1.58,;.63,-.81,;7.43,.25,;8.2,-1.08,)|

BDBM159187

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(nc(C(N)=O)c4C(F)F)-c3c2)C1=O |r,wU:4.5,wD:4.4,(4.22,4.26,;4.99,2.92,;6.53,2.92,;7.01,1.46,;5.76,.55,;7.09,-.22,;4.43,-.22,;3.09,-.99,;1.76,-1.76,;1.76,-3.3,;.43,-4.07,;-.91,-3.3,;-2.11,-4.26,;-3.61,-3.91,;-4.28,-2.53,;-2.67,-2.84,;-3.61,-1.16,;-2.15,-.68,;-2.15,.86,;-3.61,1.33,;-4.01,2.82,;-5.5,3.22,;-2.92,3.91,;-4.52,.09,;-6.01,.49,;-7.09,-.6,;-6.4,1.97,;-.91,-1.76,;.43,-.99,;4.52,1.46,;3.18,.69,)|

BDBM158832

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4c(nc(C(N)=O)c4C4CN(C4)C(=O)C4CC4)-c3c2)C1=O |r,wU:4.5,wD:4.4,(4.93,4.44,;6.26,3.67,;7.73,4.15,;8.63,2.9,;7.73,1.66,;9.21,1.26,;6.64,.57,;5.55,-.52,;4.46,-1.61,;4.6,-3.14,;3.34,-4.03,;1.94,-3.38,;.83,-4.44,;-.7,-4.24,;-1.49,-2.92,;.05,-2.92,;-.95,-1.47,;.52,-1,;.52,.54,;-.95,1.02,;-1.35,2.5,;-.26,3.59,;-2.83,2.9,;-1.85,-.23,;-3.39,-.23,;-4.48,.86,;-5.57,-.23,;-4.48,-1.32,;-7.11,-.23,;-7.88,1.11,;-7.88,-1.56,;-9.21,-2.33,;-7.88,-3.1,;1.8,-1.85,;3.06,-.96,;6.26,2.13,;4.93,1.36,)|

BDBM158824

CN1CC[C@@](O)(C#Cc2ccc3C4CC(C4)n4cc(nc4-c3c2)C(N)=O)C1=O |r,wU:4.5,wD:4.4,(3,4.9,;3.77,3.57,;5.31,3.57,;5.78,2.11,;4.54,1.2,;6.02,.8,;3.45,.11,;2.36,-.98,;1.27,-2.07,;1.41,-3.6,;.15,-4.49,;-1.25,-3.84,;-2.36,-4.9,;-3.89,-4.7,;-4.68,-3.37,;-3.14,-3.37,;-4.14,-1.93,;-5.04,-.69,;-4.14,.56,;-2.67,.08,;-2.67,-1.46,;-1.39,-2.31,;-.13,-1.42,;-4.54,2.05,;-3.45,3.14,;-6.02,2.44,;3.29,2.11,;1.96,1.34,)|

BDBM159242

CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4c(Cl)c(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159220

CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4c(c(nn4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159203

CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM158931

CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158985

CN1CC[C@@](O)(C#Cc2ccc3OCC4(CC4)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159240

CN1CC[C@@](O)(C#Cc2ccc3OCC4(CCC4)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159237

CN1CC[C@@](O)(C#Cc2ccc3OCC4(COC4)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159093

CN1CC[C@@](O)(C#Cc2ccc3OCC4(OCCO4)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159241

CN1CC[C@@](O)(C#Cc2ccc3OCCc4c(C(F)F)c(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159243

CN1CC[C@@](O)(C#Cc2ccc3OCCc4c(CO)c(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159209

CN1CC[C@@](O)(C#Cc2ccc3OCCc4c(Cl)c(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159025

CN1CC[C@@](O)(C#Cc2ccc3OCCc4c(c(nn4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159200

CN1CC[C@@](O)(C#Cc2ccc3OCCc4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM158801

CN1CC[C@@](O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159229

CN1CC[C@@](O)(C#Cc2ccc3OCCn4c(COc5ccccc5Cl)c(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158941

CN1CC[C@@](O)(C#Cc2ccc3OCCn4c(Cn5c(C)nc6ccccc56)c(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158947

CN1CC[C@@](O)(C#Cc2ccc3OCCn4c(nc(C(N)=O)c4C(=O)NC4CCOCC4)-c3c2)C1=O |r|

BDBM158945

CN1CC[C@@](O)(C#Cc2ccc3OCCn4c(nc(C(N)=O)c4C(F)(F)F)-c3c2)C1=O |r|

BDBM158996

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](C#N)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159144

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](CO)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159064

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](F)c4c(c(nn4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159001

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159003

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](O)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159171

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](O)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159062

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](C)(F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159090

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](C)(O)c4c(c(nn4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159168

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](C)(O)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159212

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](F)(CF)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159059

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](F)(CO)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159040

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](O)(CC#N)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158990

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](O)(CF)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158983

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@](O)(c4sc(nc4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159097

CN1CC[C@@](O)(C#Cc2ccc3OC[C@@]4(CC4(F)F)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158997

CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](C#N)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159145

CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](CO)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159058

CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](F)c4c(c(nn4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159011

CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159012

CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](O)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159170

CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](O)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159054

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](C)(F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159084

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](C)(O)c4c(c(nn4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159167

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](C)(O)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159211

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](F)(CF)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159016

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](F)(CO)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM159031

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](O)(CC#N)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158987

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](O)(CF)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM158977

CN1CC[C@@](O)(C#Cc2ccc3OC[C@](O)(c4sc(nc4-c3c2)C(N)=O)C(F)(F)F)C1=O |r|

BDBM159092

CN1CC[C@@](O)(C#Cc2ccc3OC[C@]4(CC4(F)F)c4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM681595

CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(N)ncnc4s3)c2C)C1=O |r|

BDBM681750

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(-c3ccccc3)c3ncnc(N)c3n2)C1=O |r|

BDBM681752

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(-c3ccco3)c3ncnc(N)c3n2)C1=O |r|

BDBM681751

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(-c3cccs3)c3ncnc(N)c3n2)C1=O |r|

BDBM681743

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(-n3cccn3)c3ncnc(N)c3n2)C1=O |r|

BDBM681694

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(Br)c3ncnc(N)c3n2)C1=O |r|

BDBM681730

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C(F)F)c3ncnc(N)c3n2)C1=O |r|

BDBM681726

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C)c3nc(C)nc(N)c3n2)C1=O |r|

BDBM681691

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C)c3ncnc(C)c3n2)C1=O |r|

BDBM681727

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C)c3ncnc(N)c3n2)C1=O |r|

BDBM681742

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C3CC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681749

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C3CCC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681718

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C3CCCC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681753

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C3CCN3)c3ncnc(N)c3n2)C1=O |r|

BDBM681728

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C3CCNCC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681696

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C3CCOCC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681754

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(C=C)c3ncnc(N)c3n2)C1=O |r|

BDBM681723

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(CN)c3ncnc(N)c3n2)C1=O |r|

BDBM681558

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(Cl)c3ncnc(N)c3c2)C1=O |r|

BDBM681554

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(F)c3ncnc(N)c3c2)C1=O |r|

BDBM681755

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(N3CC(C3)C(F)(F)F)c3ncnc(N)c3n2)C1=O |r|

BDBM681740

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(N3CC(F)(F)C3)c3ncnc(N)c3n2)C1=O |r|

BDBM681747

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(N3CC4(CC4(F)F)C3)c3ncnc(N)c3n2)C1=O |r|

BDBM681756

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(N3CCC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681738

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(NC3CC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681757

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(NCC(F)(F)F)c3ncnc(N)c3n2)C1=O |r|

BDBM681739

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(OC(F)F)c3ncnc(N)c3n2)C1=O |r|

BDBM681744

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(OC3CC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681746

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(OCCC(F)(F)F)c3ncnc(N)c3n2)C1=O |r|

BDBM681745

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(Oc3cnn(c3)C(F)F)c3ncnc(N)c3n2)C1=O |r|

BDBM681725

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc(c3ncnc(N)c3n2)C(F)(F)F)C1=O |r|

BDBM681552

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3c(N)ncnc3cn2)C1=O |r|

BDBM681582

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3c(N)ncnc3s2)C1=O |r|

BDBM50457816

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O |r|

BDBM50457820

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc(N)c(n2)C(N)=O)C1=O |r|

BDBM681690

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3c(Br)cnc(C)c3n2)C1=O |r|

BDBM681553

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3c(Br)cnc(N)c3n2)C1=O |r|

BDBM681693

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3c(C)cnc(C)c3n2)C1=O |r|

BDBM681612

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3c(CN4CCCC4)cnc(N)c3n2)C1=O |r|

BDBM681692

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3c(cnc(C)c3n2)C#N)C1=O |r|

BDBM681721

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ccnc(C)c3n2)C1=O |r|

BDBM681477

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ccnc(N)c3c2)C1=O |r|

BDBM681675

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ccnc(N4CCC4)c3c2)C1=O |r|

BDBM681674

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ccnc(N4CCC4)c3n2)C1=O |r|

BDBM681610

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3n(nc(N)c3c2)C(=O)OC(C)(C)C)C1=O |r|

BDBM681699

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(NC(C)=O)c3n2)C1=O |r|

BDBM681649

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(CF)nc(N)c3n2)C1=O

BDBM681611

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(CF)nc(N)c3n2)C1=O |r|

BDBM681614

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(CO)nc(N)c3n2)C1=O |r|

BDBM681729

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(F)nc(N)c3n2)C1=O |r|

BDBM681644

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(N)nc(N)c3n2)C1=O |r|

BDBM681652

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(O)nc(N)c3n2)C1=O |r|

BDBM681617

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(nc(N)c3n2)C(F)(F)F)C1=O |r|

BDBM681616

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(nc(N)c3n2)C2CC2)C1=O |r|

BDBM681660

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nccc(N)c3n2)C1=O |r|

BDBM681676

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3nccc(N4CCC4)c3c2)C1=O |r|

BDBM681698

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(-c4ccccc4)c3n2)C1=O |r|

BDBM681720

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(C#N)c3n2)C1=O |r|

BDBM681711

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(C4CC4)c3n2)C1=O |r|

BDBM681667

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(C)(C)C4)c3n2)C1=O |r|

BDBM681683

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(C4)C#N)c3n2)C1=O |r|

BDBM681686

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(C4)S(C)(=O)=O)c3n2)C1=O |r|

BDBM681685

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(Cl)C4)c3n2)C1=O |r|

BDBM681673

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(F)(F)C4)c3n2)C1=O |r|

BDBM681680

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(F)C4)c3n2)C1=O |r|

BDBM681669

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CC(O)C4)c3n2)C1=O |r|

BDBM681684

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CCC4)c3c2)C1=O |r|

BDBM681663

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CCCC4)c3n2)C1=O |r|

BDBM681666

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CCCCC4)c3n2)C1=O |r|

BDBM681679

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(NC(C)=O)c3n2)C1=O |r|

BDBM681677

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(NC4CCC4)c3n2)C1=O |r|

BDBM681670

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(NC4COC4)c3n2)C1=O |r|

BDBM681681

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(NCC#N)c3n2)C1=O |r|

BDBM681682

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(NCC(F)F)c3n2)C1=O |r|

BDBM681710

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(NS(C)(=O)=O)c3n2)C1=O |r|

BDBM681719

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(c3n2)C(F)(F)F)C1=O |r|

BDBM681664

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncncc3n2)C1=O |r|

BDBM50457814

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cccc(c2)C(N)=O)C1=O |r|

BDBM50457818

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cccc(n2)C(N)=O)C1=O |r|

BDBM50457811

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccnc(n2)C(N)=O)C1=O |r|

BDBM681659

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cn3cncc3c(=O)[nH]2)C1=O |r|

BDBM681589

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cnc3nc(C)nc(N)c3n2)C1=O |r|

BDBM50457812

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cncc(n2)C(N)=O)C1=O |r|

BDBM312905

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c(N)s2)C1=O |r|

BDBM312799

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c3ccccn23)C1=O |r|

BDBM312788

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O |r|

BDBM681524

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C)c3ccnc(N)c3n2)C1=O

BDBM681597

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C)c3nc(C)nc(N)c3n2)C1=O |r|

BDBM681609

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C)c3ncnc(N)c3n2)C1=O |r|

BDBM681619

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3c(N)nc(C)nc3cc2C)C1=O |r|

BDBM681500

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3c(N)nccc3[nH]2)C1=O |r|

BDBM681496

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3c(N)nccc3c(=O)[nH]2)C1=O |r|

BDBM681630

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3c(N)ncnc3cc2C)C1=O |r|

BDBM681584

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3c(N)ncnc3n2C)C1=O |r|

BDBM681583

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3c(N)ncnc3o2)C1=O |r|

BDBM681655

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc3ncnc(N)c3s2)C1=O |r|

BDBM681535

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3c(Br)cnc(N)c3n2)C1=O |r|

BDBM681592

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3c(CC(C)(C)C)cnc(N)c3n2)C1=O |r|

BDBM681586

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3c(CN4CCCCC4)cnc(N)c3n2)C1=O |r|

BDBM681544

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3c(Cl)cnc(N)c3n2)C1=O |r|

BDBM681588

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2ccc(nc2)C(F)(F)F)C1=O |r|

BDBM681581

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3c(cnc(N)c3n2)-c2cnn(CCCC#N)c2)C1=O |r|

BDBM681485

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3cc(C)nc(N)c3n2)C1=O |r|

BDBM681688

CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ncc3ccnc(N4CCC4)c3n2)C1=O |r|

BDBM50457819

CN1CC[C@@](O)(C#Cc2cccc(c2)-n2cc(C(N)=O)c3cccnc23)C1=O |r|

BDBM681620

CN1CC[C@@](O)(C#Cc2cccc(c2)-n2cc3c(N)ncnc3n2)C1=O |r|

BDBM312723

CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r|

BDBM312711

CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r|

BDBM312764

CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r|

BDBM681665

CN1CC[C@@](O)(C#Cc2cccc(c2)N2CCCc3ncnc(N)c3C2)C1=O |r|

BDBM681656

CN1CC[C@@](O)(C#Cc2cccc(c2)N2CCc3nc(C)nc(N)c3C2)C1=O |r|

BDBM681600

CN1CC[C@@](O)(C#Cc2cccc(c2)N2CCc3ncnc(N)c3C2)C1=O |r|

BDBM681482

CN1CC[C@@](O)(C#Cc2cccc(c2C)-c2ncc3ccnc(N)c3n2)C1=O |r|

BDBM312766

CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2ccc(n2)C(N)=O)C1=O |r|

BDBM312762

CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3CCCCc23)C1=O |r|

BDBM312765

CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r|

BDBM312763

CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r|

BDBM312792

CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2C2CC2)C(N)=O)C1=O |r|

BDBM312794

CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2N)C(N)=O)C1=O |r|

BDBM552843

CN1CC[C@@](O)(C1=O)c1cc(ccc1C)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552777

CN1CC[C@@](O)(C1=O)c1cccc(c1)-c1cnc(s1)-c1c[nH]c2ncccc12 |r|

BDBM552812

CN1CC[C@@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552825

CN1CC[C@@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncncc12 |r|

BDBM523666

CN1CC[C@H](Cn2nc(Cl)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)C1 |r|

BDBM681645

CN1CC[C@](C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)(C(F)F)C1=O |r|

BDBM158855

CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)c(C)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.4,wD:4.5,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;-.18,-.99,;-1.51,-1.76,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-4.22,-1.14,;-4.88,-2.53,;-4.22,-3.91,;-2.71,-4.26,;-3.83,-2.83,;-1.51,-3.3,;-.18,-4.07,;1.16,-3.3,;2.49,-4.07,;3.91,1.46,;2.58,.69,)|

BDBM158857

CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)c(C5CC5)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.4,wD:4.5,(4.36,4.26,;5.13,2.92,;6.67,2.92,;7.15,1.46,;5.9,.55,;7.24,-.22,;4.57,-.22,;3.24,-.99,;1.9,-1.76,;.57,-.99,;-.77,-1.76,;-1.97,-.8,;-1.83,.74,;-3.25,1.34,;-3.65,2.83,;-2.56,3.92,;-5.13,3.23,;-4.26,.18,;-5.75,.58,;-6.84,1.67,;-7.24,.18,;-3.47,-1.14,;-4.14,-2.53,;-3.47,-3.91,;-1.97,-4.26,;-2.64,-2.86,;-.77,-3.3,;.57,-4.07,;1.9,-3.3,;3.24,-4.07,;4.66,1.46,;3.32,.69,)|

BDBM158854

CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)c([C@@H](O)c5ccnn5C)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.4,wD:4.5,18.18,(5.32,4.26,;6.09,2.92,;7.63,2.92,;8.1,1.46,;6.86,.55,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;1.52,-.99,;.19,-1.76,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;-2.52,-1.14,;-3.18,-2.53,;-2.52,-3.91,;-1.01,-4.26,;-1.64,-2.53,;.19,-3.3,;1.52,-4.07,;2.86,-3.3,;4.19,-4.07,;5.61,1.46,;4.28,.69,)|

BDBM158853

CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)c([C@H](O)c5ccnn5C)n4C4CC(C4)c3cc2F)C1=O |r,wU:4.4,18.18,wD:4.5,(5.32,4.26,;6.09,2.92,;7.63,2.92,;8.1,1.46,;6.86,.55,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;1.52,-.99,;.19,-1.76,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;-2.52,-1.14,;-3.18,-2.53,;-2.52,-3.91,;-1.01,-4.26,;-1.64,-2.53,;.19,-3.3,;1.52,-4.07,;2.86,-3.3,;4.19,-4.07,;5.61,1.46,;4.28,.69,)|

BDBM158850

CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)c(n4C4CC(C4)c3cc2F)C(C)(C)O)C1=O |r,wU:4.4,wD:4.5,(4.05,4.9,;4.82,3.57,;6.36,3.57,;6.83,2.11,;5.59,1.2,;7.07,.8,;4.5,.11,;3.41,-.98,;2.32,-2.07,;.92,-1.42,;-.34,-2.31,;-1.62,-1.46,;-1.62,.08,;-3.09,.56,;-3.49,2.05,;-4.97,2.44,;-2.4,3.14,;-3.99,-.69,;-3.09,-1.93,;-3.63,-3.37,;-2.84,-4.7,;-1.31,-4.9,;-2.02,-3.16,;-.2,-3.84,;1.2,-4.49,;2.46,-3.6,;3.79,-4.37,;-5.53,-.69,;-6.3,-2.02,;-7.07,-.69,;-6.3,.65,;4.34,2.11,;3.01,1.34,)|

BDBM158907

CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)n(C)c4C4CC(C4)c3cc2F)C1=O |r,wU:4.4,wD:4.5,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;-.18,-.99,;-1.51,-1.76,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-4.22,-1.14,;-4.88,-2.53,;-4.22,-3.91,;-2.71,-4.26,;-3.33,-2.82,;-1.51,-3.3,;-.18,-4.07,;1.16,-3.3,;2.49,-4.07,;3.91,1.46,;2.58,.69,)|

BDBM158823

CN1CC[C@](O)(C#Cc2cc3-c4nc(cn4C4CC(C4)c3cc2F)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(3,4.9,;3.77,3.57,;5.31,3.57,;5.78,2.11,;4.54,1.2,;6.02,.8,;3.45,.11,;2.36,-.98,;1.27,-2.07,;-.13,-1.42,;-1.39,-2.31,;-2.67,-1.46,;-2.67,.08,;-4.14,.56,;-5.04,-.69,;-4.14,-1.93,;-4.68,-3.37,;-3.89,-4.7,;-2.36,-4.9,;-3.14,-3.37,;-1.25,-3.84,;.15,-4.49,;1.41,-3.6,;2.74,-4.37,;-4.54,2.05,;-3.45,3.14,;-6.02,2.44,;3.29,2.11,;1.96,1.34,)|

BDBM158789

CN1CC[C@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O |r|

BDBM681701

CN1CC[C@](O)(C#Cc2ccc(C)c(c2)-c2ccc3ncnc(N)c3n2)C1=O |r|

BDBM159191

CN1CC[C@](O)(C#Cc2ccc3C4CC(C4)c4c(nc(C(N)=O)n4C)-c3c2)C1=O |r,wU:4.4,wD:4.5,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;1.16,-3.3,;-.18,-4.07,;-1.51,-3.3,;-2.71,-4.26,;-4.22,-3.91,;-4.88,-2.53,;-3.27,-2.84,;-4.22,-1.14,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-1.51,-1.76,;-.18,-.99,;3.91,1.46,;2.58,.69,)|

BDBM159194

CN1CC[C@](O)(C#Cc2ccc3C4CC(C4)c4c(nc(C(N)=O)n4Cc4nn(C)c5ccccc45)-c3c2)C1=O |r,wU:4.4,wD:4.5,(8.35,2.84,;8.35,1.3,;9.59,.4,;9.12,-1.07,;7.58,-1.07,;6.81,-2.4,;6.09,-1.46,;4.6,-1.86,;3.11,-2.26,;2.77,-3.76,;1.3,-4.22,;.17,-3.17,;-1.22,-3.84,;-2.6,-3.17,;-2.95,-1.67,;-1.62,-2.35,;-1.99,-.46,;-.45,-.46,;.03,1,;-1.22,1.91,;-1.22,3.45,;.12,4.22,;-2.55,4.22,;-2.46,1,;-3.95,1.4,;-5.04,.31,;-4.56,-1.15,;-5.81,-2.06,;-6.21,-3.55,;-7.06,-1.15,;-8.56,-1.47,;-9.59,-.33,;-9.12,1.14,;-7.61,1.46,;-6.58,.31,;.51,-1.67,;1.98,-1.21,;7.1,.4,;5.77,1.17,)|

BDBM158821

CN1CC[C@](O)(C#Cc2ccc3C4CC(C4)n4c(Cc5ccccc5Cl)c(nc4-c3c2)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(5.32,4.26,;6.09,2.92,;7.63,2.92,;8.1,1.46,;6.86,.55,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.59,-2.86,;-2.52,-1.14,;-3.31,.18,;-4.79,.58,;-5.88,-.51,;-5.11,-1.84,;-5.88,-3.17,;-7.42,-3.17,;-8.19,-1.84,;-7.42,-.51,;-8.19,.83,;-2.29,1.34,;-.88,.74,;-1.01,-.8,;.19,-1.76,;1.52,-.99,;-2.69,2.83,;-1.6,3.92,;-4.18,3.23,;5.61,1.46,;4.28,.69,)|

BDBM158830

CN1CC[C@](O)(C#Cc2ccc3C4CC(C4)n4c(nc(C(N)=O)c4C4CN(C4)C(=O)C4CC4)-c3c2)C1=O |r,wU:4.4,wD:4.5,(4.93,4.44,;6.26,3.67,;7.73,4.15,;8.63,2.9,;7.73,1.66,;9.21,1.26,;6.64,.57,;5.55,-.52,;4.46,-1.61,;4.6,-3.14,;3.34,-4.03,;1.94,-3.38,;.83,-4.44,;-.7,-4.24,;-1.49,-2.92,;.05,-2.92,;-.95,-1.47,;.52,-1,;.52,.54,;-.95,1.02,;-1.35,2.5,;-.26,3.59,;-2.83,2.9,;-1.85,-.23,;-3.39,-.23,;-4.48,.86,;-5.57,-.23,;-4.48,-1.32,;-7.11,-.23,;-7.88,1.11,;-7.88,-1.56,;-9.21,-2.33,;-7.88,-3.1,;1.8,-1.85,;3.06,-.96,;6.26,2.13,;4.93,1.36,)|

BDBM158822

CN1CC[C@](O)(C#Cc2ccc3C4CC(C4)n4cc(nc4-c3c2)C(N)=O)C1=O |r,wU:4.4,wD:4.5,(3,4.9,;3.77,3.57,;5.31,3.57,;5.78,2.11,;4.54,1.2,;6.02,.8,;3.45,.11,;2.36,-.98,;1.27,-2.07,;1.41,-3.6,;.15,-4.49,;-1.25,-3.84,;-2.36,-4.9,;-3.89,-4.7,;-4.68,-3.37,;-3.14,-3.37,;-4.14,-1.93,;-5.04,-.69,;-4.14,.56,;-2.67,.08,;-2.67,-1.46,;-1.39,-2.31,;-.13,-1.42,;-4.54,2.05,;-3.45,3.14,;-6.02,2.44,;3.29,2.11,;1.96,1.34,)|

BDBM159204

CN1CC[C@](O)(C#Cc2ccc3OCC(F)(F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM159201

CN1CC[C@](O)(C#Cc2ccc3OCCc4cc(nn4-c3c2)C(N)=O)C1=O |r|

BDBM158800

CN1CC[C@](O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O |r|

BDBM681695

CN1CC[C@](O)(C#Cc2cccc(c2)-c2cc(Br)c3ncnc(N)c3n2)C1=O |r|

BDBM681697

CN1CC[C@](O)(C#Cc2cccc(c2)-c2cc(C3CCOCC3)c3ncnc(N)c3n2)C1=O |r|

BDBM681672

CN1CC[C@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N4CCC4)c3n2)C1=O |r|

BDBM552841

CN1CC[C@](O)(C1=O)c1cc(C)cc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552842

CN1CC[C@](O)(C1=O)c1cc(ccc1C)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552840

CN1CC[C@](O)(C1=O)c1ccc(C)c(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552892

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1[nH]nc(c1C)-c1c[nH]c2ncccc12

BDBM552890

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1cc([nH]n1)-c1c[nH]c2ncccc12

BDBM552888

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1cc(co1)-c1c[nH]c2ncccc12

BDBM552891

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1cc(nn1C)-c1c[nH]c2ncccc12

BDBM552887

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1ccc(o1)-c1c[nH]c2ncccc12

BDBM552893

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1cnc(-c2c[nH]c3ncccc23)n1C

BDBM552776

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1cnc(s1)-c1c[nH]c2ncccc12 |r|

BDBM552866

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1coc(c1)-c1c[nH]c2ncccc12

BDBM552889

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1coc(n1)-c1c[nH]c2ncccc12

BDBM552847

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c(C)[nH]c2cc(C)cnc12

BDBM552844

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c(C)[nH]c2cccnc12

BDBM552883

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c(F)[nH]c2ncc(F)cc12

BDBM552830

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c(F)[nH]c2nccnc12

BDBM552845

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2cc(cnc12)C#N

BDBM552846

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ccc(C)nc12

BDBM552780

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(C)cc12 |r|

BDBM552868

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(Cl)c(F)c12

BDBM552867

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(F)c(F)c12

BDBM552824

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(cc12)C(O)=O |r|

BDBM552813

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552827

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552826

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncncc12 |r|

BDBM552873

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1n[nH]c2ncccc12

BDBM552885

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-n1ccc2nc(N)ccc12

BDBM552884

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-n1ccc2ncccc12

BDBM552903

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1c(Cl)cnc2[nH]ccc12

BDBM552829

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1c(F)[nH]c2nccnc12

BDBM552781

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2ncccc12 |r|

BDBM552902

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1cc(N)nc2[nH]ccc12

BDBM552905

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1cccc2[nH]ccc12

BDBM552904

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1cccc2[nH]ncc12

BDBM552901

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1cccc2n(C)ncc12

BDBM552900

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(cs1)-c1ccnc2[nH]ccc12

BDBM552871

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(sc1C#N)-c1c[nH]c2ncccc12

BDBM552839

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(sc1C)-c1c[nH]c2nccnc12

BDBM552823

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(sc1CO)-c1c[nH]c2ncccc12 |r|

BDBM552872

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1nc(sc1F)-c1c[nH]c2ncccc12

BDBM552898

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1ncc(-c2c[nH]c3ncccc23)n1C

BDBM552782

CN1CC[C@](O)(C1=O)c1cccc(c1)-c1ncc(s1)-c1c[nH]c2ncccc12 |r|

BDBM552896

CN1CC[C@](O)(C1=O)c1cccc(c1)-n1cc(nn1)-c1c[nH]c2ncccc12

BDBM552895

CN1CC[C@](O)(C1=O)c1cccc(c1)-n1ccc(n1)-c1c[nH]c2ncccc12

BDBM552897

CN1CC[C@](O)(C1=O)c1cccc(c1)-n1cnc(c1)-c1c[nH]c2ncccc12

BDBM552894

CN1CC[C@](O)(C1=O)c1cccc(c1)-n1cnc(n1)-c1c[nH]c2ncccc12

BDBM552882

CN1CC[C@](O)(C1=O)c1cccc(c1)-n1ncc(n1)-c1c[nH]c2ncccc12

BDBM527682

CN1CCc2[nH]c(=O)c(Nc3nccc(n3)-c3cc4c(NCC4(C)CC(F)F)c(c3)C#N)cc2C1

BDBM527657

CN1CCc2cc(C)c(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2CC1 |r|

BDBM527660

CN1CCc2cc(CCC3CC3)c(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2CC1 |r|

BDBM527664

CN1CCc2cc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)ccc2C1 |r|

BDBM527628

CN1CCc2ccc(Nc3nccc(n3)-c3cc4c(NCC4(C)CO)c(c3)C#N)cc2CC1

BDBM527666

CN1CCc2ccc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2C1 |r|

BDBM527671

CN1CCc2nc(OCC3CC3)c(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2C1 |r|

BDBM527678

CN1CCc2ncc(Nc3ncc(F)c(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2C1 |r|

BDBM527663

CN1CCc2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2C1 |r|

BDBM527693

CN1CCn2nc(Nc3nccc(n3)-c3cc4c(NCC4(C)CO)c(c3)C#N)cc2C1

BDBM527697

CN1CCn2nc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)cc2C1=O |r|

BDBM527699

CN1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2C1 |r|

BDBM527687

CN1CCn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2C1=O |r|

BDBM552819

CN1C[C@@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552818

CN1C[C@](O)(C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM527692

CN1Cc2cc(Nc3nccc(n3)-c3cc4c(NCC4(C)CO)c(c3)C#N)nn2CC1=O

BDBM681722

CN1[C@@H]2CC2[C@@](O)(C#Cc2cccc(c2)-c2cc(C)c3ncnc(N)c3n2)C1=O |r|

BDBM681714

CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O |r|

BDBM681717

CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C1=O |r|

BDBM431890

CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c(N)s2)C1=O |r|

BDBM431889

CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c3ccccn23)C1=O |r|

BDBM431887

CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O |r|

BDBM431871

CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r|

BDBM431872

CN1[C@H]2C[C@H]2[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r|

BDBM681715

CN1[C@H]2C[C@H]2[C@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C1=O |r|

BDBM158617

CNC(=O)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM681687

CNC(=O)C1CN(C1)c1ncnc2ccc(nc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM527717

CNC(=O)CCn1ccc2c(Nc3nccc(n3)-c3cc4c(NCC4(C)C)c(c3)C#N)cc(Cl)cc12

BDBM527727

CNC(=O)CCn1ccc2c(Nc3nccc(n3)-c3cc4c(NCC4(C)CO)c(c3)C#N)cc(Cl)cc12

BDBM527719

CNC(=O)CN1C=CC2C1C=C(Cl)C=C2Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N |c:6,14,t:11|

BDBM527643

CNC(=O)CN1CCc2c1cc(Cl)cc2Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM159128

CNC(=O)[C@@H]1Cn2cc(nc2-c2cc(ccc2O1)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM159127

CNC(=O)[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM523699

CNC(=O)c1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1C |r|

BDBM158787

CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-7.72,-.7,;-6.24,-1.1,;-5.47,.23,;-6.24,1.57,;-3.93,.23,;-3.02,1.48,;-1.56,1,;-1.56,-.54,;-.28,-1.56,;1.05,-.79,;2.39,-1.56,;3.72,-.79,;5.06,-.02,;6.39,.75,;7.72,1.52,;7.72,-.02,;6.39,2.29,;2.39,-3.1,;3.72,-3.87,;1.05,-3.87,;-.28,-3.1,;-1.48,-4.06,;-2.98,-3.71,;-3.65,-2.33,;-2.04,-2.64,;-3.02,-1.01,;-3.42,2.97,;-4.91,3.37,;-2.33,4.06,)|

BDBM158566

CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158634

CNC(=O)c1c(nc2-c3cc(C#CC(C)(O)CF)c(F)cc3OCCn12)C(N)=O

BDBM158664

CNC(=O)c1c(nc2-c3cc(C#CC(C)(O)CO)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.45,.06,;-6.96,-.34,;-5.87,.75,;-6.27,2.24,;-4.38,.35,;-3.37,1.51,;-1.95,.91,;-2.09,-.63,;-.89,-1.59,;.45,-.82,;1.78,-1.59,;3.11,-.82,;4.45,-.05,;5.78,.72,;7.11,1.49,;5.01,2.06,;7.11,-.05,;8.45,.72,;1.78,-3.13,;3.11,-3.9,;.45,-3.9,;-.89,-3.13,;-2.09,-4.09,;-3.59,-3.75,;-4.26,-2.36,;-2.65,-2.59,;-3.59,-.97,;-3.77,3,;-5.26,3.4,;-2.68,4.09,)|

BDBM158647

CNC(=O)c1c(nc2-c3cc(C#CC(C)(O)CO)c(F)cc3OCCn12)C(N)=O

BDBM158633

CNC(=O)c1c(nc2-c3cc(C#CC(C)(O)COC)c(F)cc3OCCn12)C(N)=O

BDBM158705

CNC(=O)c1c(nc2-c3cc(C#CC(C)(O)c4ccccn4)c(F)cc3OCCn12)C(N)=O

BDBM158893

CNC(=O)c1c(nc2-c3cc(C#CC4(O)CCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.06,.06,;-6.57,-.34,;-5.48,.75,;-5.88,2.24,;-3.99,.35,;-2.98,1.51,;-1.56,.91,;-1.7,-.63,;-.5,-1.59,;.84,-.82,;2.17,-1.59,;3.5,-.82,;4.84,-.05,;6.17,.72,;4.84,1.49,;7.66,.32,;8.06,1.81,;6.57,2.21,;2.17,-3.13,;3.5,-3.9,;.84,-3.9,;-.5,-3.13,;-1.7,-4.09,;-3.2,-3.75,;-3.87,-2.36,;-2.26,-2.36,;-3.2,-.97,;-3.38,3,;-2.29,4.09,;-4.87,3.4,)|

BDBM158887

CNC(=O)c1c(nc2-c3cc(C#CC4(O)CCC4)c(F)cc3OCCn12)C(N)=O

BDBM158798

CNC(=O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.37,-.05,;-6.88,-.45,;-5.79,.64,;-6.19,2.13,;-4.3,.24,;-3.4,1.49,;-1.93,1.01,;-1.93,-.53,;-.67,-1.57,;.66,-.8,;1.99,-1.57,;3.33,-.8,;4.66,-.03,;6,.74,;4.66,1.51,;7.46,.27,;8.37,1.51,;7.46,2.76,;6,2.28,;1.99,-3.11,;3.33,-3.88,;.66,-3.88,;-.67,-3.11,;-1.88,-4.07,;-3.38,-3.72,;-4.05,-2.34,;-2.54,-2.6,;-3.4,-1,;-3.79,2.98,;-5.28,3.38,;-2.71,4.07,)|

BDBM158662

CNC(=O)c1c(nc2-c3cc(C#C[C@@](C)(O)c4cc(C)on4)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:13.14,wD:13.13,(-9.69,.06,;-8.21,-.34,;-7.12,.75,;-7.52,2.24,;-5.63,.35,;-4.62,1.51,;-3.2,.91,;-3.34,-.63,;-2.13,-1.59,;-.8,-.82,;.53,-1.59,;1.87,-.82,;3.2,-.05,;4.53,.72,;5.3,2.06,;3.76,2.06,;5.87,-.05,;7.11,.86,;8.36,-.05,;9.69,.72,;7.88,-1.51,;6.34,-1.51,;.53,-3.13,;1.87,-3.9,;-.8,-3.9,;-2.13,-3.13,;-3.34,-4.09,;-4.84,-3.75,;-5.51,-2.36,;-3.9,-2.59,;-4.84,-.97,;-5.01,3,;-6.5,3.4,;-3.93,4.09,)|

BDBM158624

CNC(=O)c1c(nc2-c3cc(C#C[C@@](C)(O)c4cc(C)on4)c(F)cc3OCCn12)C(N)=O |r|

BDBM158767

CNC(=O)c1c(nc2-c3cc(C#C[C@@](C)(O)c4ccccn4)c(F)cc3OCCn12)C(N)=O |r|

BDBM158663

CNC(=O)c1c(nc2-c3cc(C#C[C@@](C)(O)c4noc(C)n4)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:13.14,wD:13.13,(-9.69,.06,;-8.21,-.34,;-7.12,.75,;-7.52,2.24,;-5.63,.35,;-4.62,1.51,;-3.2,.91,;-3.34,-.63,;-2.13,-1.59,;-.8,-.82,;.53,-1.59,;1.87,-.82,;3.2,-.05,;4.53,.72,;5.3,2.06,;3.76,2.06,;5.87,-.05,;6.34,-1.51,;7.88,-1.51,;8.36,-.05,;9.69,.72,;7.11,.86,;.53,-3.13,;1.87,-3.9,;-.8,-3.9,;-2.13,-3.13,;-3.34,-4.09,;-4.84,-3.75,;-5.51,-2.36,;-3.9,-2.59,;-4.84,-.97,;-5.01,3,;-6.5,3.4,;-3.93,4.09,)|

BDBM158622

CNC(=O)c1c(nc2-c3cc(C#C[C@@](C)(O)c4noc(C)n4)c(F)cc3OCCn12)C(N)=O |r|

BDBM158766

CNC(=O)c1c(nc2-c3cc(C#C[C@](C)(O)c4ccccn4)c(F)cc3OCCn12)C(N)=O |r|

BDBM158775

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)O)C(N)=O |(-7.71,-.66,;-6.22,-1.06,;-5.45,.27,;-6.22,1.6,;-3.91,.27,;-3,1.52,;-1.54,1.04,;-1.54,-.5,;-.3,-1.59,;1.04,-.82,;2.37,-1.59,;2.37,-3.13,;1.04,-3.9,;-.3,-3.13,;-1.5,-4.09,;-3,-3.75,;-3.67,-2.36,;-2.06,-2.68,;-3,-.98,;3.7,-.82,;5.04,-.05,;6.37,.72,;7.71,-.05,;7.71,1.49,;6.37,2.26,;-3.4,3,;-4.89,3.4,;-2.31,4.09,)|

BDBM50502745

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)c1ncc(C)o1)C(N)=O |(28.83,-24.05,;30.36,-23.87,;30.97,-22.45,;30.05,-21.22,;32.5,-22.27,;33.25,-20.94,;34.75,-21.24,;34.93,-22.75,;36.3,-23.44,;37.43,-22.39,;38.89,-22.84,;39.24,-24.35,;38.11,-25.4,;36.64,-24.94,;35.67,-26.13,;34.13,-26.12,;33.18,-24.9,;34.81,-24.68,;33.54,-23.39,;40.02,-21.79,;41.15,-20.74,;42.28,-19.69,;41.49,-18.39,;43.1,-18.38,;43.57,-20.51,;43.67,-22.04,;45.15,-22.42,;45.97,-21.13,;47.51,-21.04,;45,-19.95,;32.6,-19.54,;33.49,-18.28,;31.07,-19.4,)|

BDBM158886

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC1(O)CCC1)C(N)=O |(-8.06,.06,;-6.57,-.34,;-5.48,.75,;-5.88,2.24,;-3.99,.35,;-2.98,1.51,;-1.56,.91,;-1.7,-.63,;-.5,-1.59,;.84,-.82,;2.17,-1.59,;2.17,-3.13,;.84,-3.9,;-.5,-3.13,;-1.7,-4.09,;-3.2,-3.75,;-3.87,-2.36,;-2.31,-2.65,;-3.2,-.97,;3.5,-.82,;4.84,-.05,;6.17,.72,;4.84,1.49,;7.66,.32,;8.06,1.81,;6.57,2.21,;-3.38,3,;-2.29,4.09,;-4.87,3.4,)|

BDBM158776

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC1(O)CCCC1)C(N)=O |(-8.22,-.66,;-6.74,-1.06,;-5.97,.27,;-6.74,1.6,;-4.43,.27,;-3.52,1.52,;-2.06,1.04,;-2.06,-.5,;-.81,-1.59,;.52,-.82,;1.85,-1.59,;1.85,-3.13,;.52,-3.9,;-.81,-3.13,;-2.02,-4.09,;-3.52,-3.75,;-4.19,-2.36,;-2.57,-2.68,;-3.52,-.98,;3.19,-.82,;4.52,-.05,;5.85,.72,;4.52,1.49,;7.32,.24,;8.22,1.49,;7.32,2.73,;5.85,2.26,;-3.92,3,;-5.41,3.4,;-2.83,4.09,)|

BDBM158734

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r,wU:21.26,wD:21.25,(-9.69,.06,;-8.21,-.34,;-7.12,.75,;-7.52,2.24,;-5.63,.35,;-4.62,1.51,;-3.2,.91,;-3.34,-.63,;-2.13,-1.59,;-.8,-.82,;.53,-1.59,;.53,-3.13,;-.8,-3.9,;-2.13,-3.13,;-3.34,-4.09,;-4.84,-3.75,;-5.51,-2.36,;-3.89,-2.67,;-4.84,-.97,;1.87,-.82,;3.2,-.05,;4.53,.72,;5.87,1.49,;4.53,2.26,;5.87,-.05,;7.11,.86,;8.36,-.05,;9.69,.72,;7.88,-1.51,;6.34,-1.51,;-5.01,3,;-6.5,3.4,;-3.93,4.09,)|

BDBM158811

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@@](C)(O)c1ccccn1)C(N)=O |r,wU:21.26,wD:21.25,(-9.11,.06,;-7.63,-.34,;-6.54,.75,;-6.94,2.24,;-5.05,.35,;-4.04,1.51,;-2.62,.91,;-2.76,-.63,;-1.56,-1.59,;-.22,-.82,;1.11,-1.59,;1.11,-3.13,;-.22,-3.9,;-1.56,-3.13,;-2.76,-4.09,;-4.26,-3.75,;-4.93,-2.36,;-3.43,-2.69,;-4.26,-.97,;2.45,-.82,;3.78,-.05,;5.11,.72,;5.88,2.06,;4.34,2.06,;6.45,-.05,;6.45,-1.59,;7.78,-2.36,;9.11,-1.59,;9.11,-.05,;7.78,.72,;-4.44,3,;-3.35,4.09,;-5.92,3.4,)|

BDBM158736

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@@](C)(O)c1noc(C)n1)C(N)=O |r,wU:21.26,wD:21.25,(-9.69,.06,;-8.21,-.34,;-7.12,.75,;-7.52,2.24,;-5.63,.35,;-4.62,1.51,;-3.2,.91,;-3.34,-.63,;-2.13,-1.59,;-.8,-.82,;.53,-1.59,;.53,-3.13,;-.8,-3.9,;-2.13,-3.13,;-3.34,-4.09,;-4.84,-3.75,;-5.51,-2.36,;-3.89,-2.67,;-4.84,-.97,;1.87,-.82,;3.2,-.05,;4.53,.72,;5.87,1.49,;4.53,2.26,;5.87,-.05,;6.34,-1.51,;7.88,-1.51,;8.36,-.05,;9.69,.72,;7.11,.86,;-5.01,3,;-6.5,3.4,;-3.93,4.09,)|

BDBM159177

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r,wU:21.25,wD:21.24,(-9.13,-.03,;-7.64,-.43,;-6.55,.66,;-6.95,2.15,;-5.06,.26,;-4.16,1.51,;-2.69,1.03,;-2.69,-.51,;-1.45,-1.58,;-.12,-.81,;1.22,-1.58,;1.22,-3.12,;-.12,-3.89,;-1.45,-3.12,;-2.66,-4.08,;-4.16,-3.74,;-4.83,-2.35,;-3.21,-2.67,;-4.16,-.98,;2.55,-.81,;3.88,-.04,;5.22,.73,;3.88,1.5,;5.22,2.27,;6.68,2.74,;7.59,1.5,;9.13,1.5,;6.68,.25,;7.45,-1.08,;-4.56,3,;-6.04,3.39,;-3.47,4.08,)|

BDBM158637

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(O)CF)C(N)=O

BDBM158648

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(O)CO)C(N)=O

BDBM158636

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(O)COC)C(N)=O

BDBM158701

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(O)c1ccccn1)C(N)=O

BDBM158895

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#CC1(O)CCC1)C(N)=O

BDBM158760

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#CC1(O)CCCCC1)C(N)=O

BDBM158621

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM158623

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1noc(C)n1)C(N)=O |r|

BDBM158810

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@](C)(O)c1ccccn1)C(N)=O |r|

BDBM158944

CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM159088

CNC(=O)c1c(nn-2c1[C@@H](C)COc1ccc(cc-21)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM159095

CNC(=O)c1c(nn-2c1[C@@H](C)COc1ccc(cc-21)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM159072

CNC(=O)c1c(nn-2c1[C@@H](F)COc1ccc(cc-21)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM159074

CNC(=O)c1c(nn-2c1[C@@H](F)COc1ccc(cc-21)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM159080

CNC(=O)c1c(nn-2c1[C@H](C)COc1ccc(cc-21)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM159098

CNC(=O)c1c(nn-2c1[C@H](C)COc1ccc(cc-21)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM159075

CNC(=O)c1c(nn-2c1[C@H](F)COc1ccc(cc-21)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|

BDBM159070

CNC(=O)c1c(nn-2c1[C@H](F)COc1ccc(cc-21)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM159073

CNC(=O)c1c2CCOc3ccc(cc3-n2nc1C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM159039

CNC(=O)c1c2CCOc3ccc(cc3-n2nc1C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM527665

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(=O)n2CCCc12 |r|

BDBM523567

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(C)n1 |r|

BDBM523728

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(C)C)n1 |r|

BDBM523707

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CCC2CC2)n1 |r|

BDBM523692

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(n1)C(C)C |r|

BDBM523705

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(n1)C1CCCC1 |r|

BDBM523614

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1C(C)C |r|

BDBM523704

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1C1CCCC1 |r|

BDBM523706

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CC(F)F |r|

BDBM523710

CNC(=O)c1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CCC1CC1 |r|

BDBM50457310

CNC(=O)c1ccc(C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1 |r|

BDBM50457305

CNC(=O)c1ccc(OC(C)C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1 |r|

BDBM523564

CNC(=O)c1nn(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523696

CNC(=O)c1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM50059889

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50549067

CNc1cc(-c2cn[nH]c2)c2cc(ccc2n1)C#CC(C)(O)c1nccs1

BDBM681736

CNc1cc(nc2c(N)ncnc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50527739

CNc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12

BDBM681526

CNc1nc(nc2c(N)nccc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681468

CNc1ncnc2ccc(nc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM523570

COC(C)(C)CCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523569

COC(C)(C)CCn1nc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cc1C |r|

BDBM158611

COC(C)(C)CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM523588

COC(C)Cn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM681671

COC1CN(C1)c1ncnc2ccc(nc12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM158738

COCC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)C4CC4)n3CCOc2cc1F

BDBM158719

COCC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |(7.78,-1.93,;6.29,-1.54,;6.69,-.05,;5.36,.72,;5.36,2.26,;6.69,1.49,;4.02,-.05,;2.69,-.82,;1.36,-1.59,;.02,-.82,;-1.31,-1.59,;-2.51,-.63,;-2.38,.91,;-3.79,1.51,;-4.19,3,;-3.1,4.09,;-5.68,3.4,;-4.81,.35,;-6.29,.75,;-7.38,1.84,;-7.78,.35,;-4.02,-.97,;-4.68,-2.36,;-4.02,-3.75,;-2.51,-4.09,;-3.07,-2.59,;-1.31,-3.13,;.02,-3.9,;1.36,-3.13,;2.69,-3.9,)|

BDBM158613

COCC(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158702

COCC(C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |(7.52,-.05,;6.19,.72,;4.85,-.05,;3.52,.72,;4.85,1.49,;3.52,2.26,;2.18,-.05,;.85,-.82,;-.48,-1.59,;-.48,-3.13,;-1.82,-3.9,;-3.15,-3.13,;-4.35,-4.09,;-5.86,-3.75,;-6.52,-2.36,;-4.91,-2.59,;-5.86,-.97,;-6.65,.35,;-5.63,1.51,;-4.22,.91,;-4.35,-.63,;-3.15,-1.59,;-1.82,-.82,;-6.03,3,;-4.94,4.09,;-7.52,3.4,)|

BDBM158639

COCC(C)(O)C#Cc1ccc2OCCn3c(CN4CCOCC4)c(nc3-c2c1)C(N)=O

BDBM158594

COCC1(CNC(=O)c2c(nc3-c4cc(C#CC(C)(C)O)c(F)cc4OCCn23)C(N)=O)CC1

BDBM527654

COCCCc1cc2CCN(C)CCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527668

COCCCc1nc2CCOCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM471693

COCCCn1cc(-c2nc(C)nc3cn(C)nc23)c2cc(ncc12)C#CC(C)(C)O

BDBM471694

COCCCn1cc(-c2nc(N)nc3cn(C)nc23)c2cc(ncc12)C#CC(C)(O)C1CC1

BDBM471700

COCCCn1cc(-c2nc(N)nc3cn(nc23)C2CC2)c2cc(C#CC(C)(O)C3CC3)c(F)cc12

BDBM523616

COCCCn1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(CCC(C)C)n1 |r|

BDBM523534

COCCCn1ccc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM527722

COCCCn1ccc2c(Nc3nccc(n3)-c3cc4c(NCC4(C)CO)c(c3)C#N)cc(Cl)cc12

BDBM523565

COCCCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@@]2(C)CO)c(c1)C#N |r|

BDBM523560

COCCCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523622

COCCCn1nc(Cl)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523615

COCCCn1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1CCC(C)C |r|

BDBM523538

COCCCn1nccc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM523558

COCCCn1nccc1Nc1nccc(n1)-c1cc2c(NC[C@@]2(C)CO)c(c1)C#N |r|

BDBM523557

COCCCn1nccc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM158764

COCCN(C)Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-9.61,-1.72,;-8.52,-.63,;-7.04,-1.03,;-5.95,.06,;-4.46,-.34,;-4.06,-1.83,;-3.37,.75,;-1.88,.35,;-.87,1.51,;.55,.91,;.41,-.63,;1.61,-1.59,;2.95,-.82,;4.28,-1.59,;5.61,-.82,;6.95,-.05,;8.28,.72,;9.61,1.49,;9.61,-.05,;8.28,2.26,;4.28,-3.13,;5.61,-3.9,;2.95,-3.9,;1.61,-3.13,;.41,-4.09,;-1.09,-3.75,;-1.76,-2.36,;-.15,-2.67,;-1.09,-.97,;-1.27,3,;-.18,4.09,;-2.76,3.4,)|

BDBM158867

COCCN(C)Cc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM50549068

COCCN(C)c1cc(-c2cn[nH]c2)c2cc(ccc2n1)C#CC(C)(O)c1nccs1

BDBM50541595

COCCN(C)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1

BDBM523665

COCCN1CCC(Cn2nc(C)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM523648

COCCN1CCC(Cn2nc(Cl)cc2Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)CC1 |r|

BDBM158761

COCCNCc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-9.61,-1.72,;-8.52,-.63,;-7.04,-1.03,;-5.95,.06,;-4.46,-.34,;-3.37,.75,;-1.88,.35,;-.87,1.51,;.55,.91,;.41,-.63,;1.61,-1.59,;2.95,-.82,;4.28,-1.59,;5.61,-.82,;6.95,-.05,;8.28,.72,;9.61,-.05,;9.61,1.49,;8.28,2.26,;4.28,-3.13,;5.61,-3.9,;2.95,-3.9,;1.61,-3.13,;.41,-4.09,;-1.09,-3.75,;-1.76,-2.36,;-.15,-2.67,;-1.09,-.97,;-1.27,3,;-.18,4.09,;-2.76,3.4,)|

BDBM158898

COCCNCc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM50527728

COCCOc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12

BDBM50429614

COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O

BDBM523726

COCCOc1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523690

COCCc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CC(F)F |r|

BDBM523689

COCCc1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523527

COCCn1ccc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM527730

COCCn1ccc2cc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c(OC)nc12 |r|

BDBM523525

COCCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM523568

COCCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@@]2(C)CO)c(c1)C#N |r|

BDBM523553

COCCn1nc(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523663

COCCn1nc(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523577

COCCn1nc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C1CCOCC1 |r|

BDBM527695

COCCn1nc2CCCc2c1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM159049

COC[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM527703

COC[C@@H]1Cn2ncc(Nc3nccc(n3)-c3cc4c(NC[C@]4(C)CO)c(c3)C#N)c2O1 |r|

BDBM158838

COC[C@@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccnn4C)n3C3CC(C3)c2cc1F |r,wU:3.4,wD:3.3,(6.01,4.41,;6.78,3.07,;6.01,1.74,;6.78,.4,;8.27,.8,;8.11,-.37,;5.45,-.37,;4.11,-1.14,;2.78,-1.91,;1.45,-1.14,;.11,-1.91,;-1.09,-.95,;-.95,.59,;-2.37,1.19,;-2.77,2.68,;-4.26,3.08,;-1.68,3.77,;-3.38,.03,;-4.87,.43,;-5.96,-.66,;-5.48,-2.12,;-6.73,-3.03,;-7.97,-2.12,;-7.5,-.66,;-8.27,.68,;-2.59,-1.29,;-3.26,-2.68,;-2.59,-4.06,;-1.09,-4.41,;-1.72,-2.68,;.11,-3.45,;1.45,-4.22,;2.78,-3.45,;4.11,-4.22,)|

BDBM158860

COC[C@@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c([C@@H](O)c4ccnn4C)n3C3CC(C3)c2cc1F |r,wU:3.4,wD:18.18,3.3,(6.09,4.41,;6.86,3.07,;6.09,1.74,;6.86,.4,;8.19,1.17,;7.63,-.93,;5.52,-.37,;4.19,-1.14,;2.86,-1.91,;1.52,-1.14,;.19,-1.91,;-1.01,-.95,;-.88,.59,;-2.29,1.19,;-2.69,2.68,;-4.18,3.08,;-1.6,3.77,;-3.31,.03,;-4.79,.43,;-5.19,1.92,;-5.88,-.66,;-5.41,-2.12,;-6.65,-3.03,;-7.9,-2.12,;-7.42,-.66,;-8.19,.68,;-2.52,-1.29,;-3.18,-2.68,;-2.52,-4.06,;-1.01,-4.41,;-1.64,-2.68,;.19,-3.45,;1.52,-4.22,;2.86,-3.45,;4.19,-4.22,)|

BDBM158841

COC[C@@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c([C@H](O)c4ccnn4C)n3C3CC(C3)c2cc1F |r,wU:3.4,18.18,wD:3.3,(6.09,4.41,;6.86,3.07,;6.09,1.74,;6.86,.4,;8.19,1.17,;7.63,-.93,;5.52,-.37,;4.19,-1.14,;2.86,-1.91,;1.52,-1.14,;.19,-1.91,;-1.01,-.95,;-.88,.59,;-2.29,1.19,;-2.69,2.68,;-4.18,3.08,;-1.6,3.77,;-3.31,.03,;-4.79,.43,;-5.19,1.92,;-5.88,-.66,;-5.41,-2.12,;-6.65,-3.03,;-7.9,-2.12,;-7.42,-.66,;-8.19,.68,;-2.52,-1.29,;-3.18,-2.68,;-2.52,-4.06,;-1.01,-4.41,;-1.64,-2.68,;.19,-3.45,;1.52,-4.22,;2.86,-3.45,;4.19,-4.22,)|

BDBM158693

COC[C@@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:3.4,wD:3.3,(3.44,4.33,;3.44,2.79,;4.77,2.02,;4.77,.48,;5.54,-.85,;6.26,.88,;3.44,-.29,;2.11,-1.06,;.77,-1.83,;-.56,-1.06,;-1.89,-1.83,;-3.1,-.87,;-2.96,.66,;-4.38,1.27,;-5.39,.11,;-4.6,-1.21,;-5.27,-2.6,;-4.6,-3.99,;-3.1,-4.33,;-3.66,-2.83,;-1.89,-3.37,;-.56,-4.14,;.77,-3.37,;2.11,-4.14,;-4.77,2.76,;-6.26,3.16,;-3.69,3.85,)|

BDBM158984

COC[C@@](C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159009

COC[C@@](C)(O)C#Cc1ccc2OC[C@@H](F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM158999

COC[C@@](C)(O)C#Cc1ccc2OC[C@H](F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM523730

COC[C@H](O)Cn1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1OC |r|

BDBM159060

COC[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM158837

COC[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccnn4C)n3C3CC(C3)c2cc1F |r,wU:3.3,wD:3.4,(6.01,4.41,;6.78,3.07,;6.01,1.74,;6.78,.4,;8.27,.8,;8.11,-.37,;5.45,-.37,;4.11,-1.14,;2.78,-1.91,;1.45,-1.14,;.11,-1.91,;-1.09,-.95,;-.95,.59,;-2.37,1.19,;-2.77,2.68,;-4.26,3.08,;-1.68,3.77,;-3.38,.03,;-4.87,.43,;-5.96,-.66,;-5.48,-2.12,;-6.73,-3.03,;-7.97,-2.12,;-7.5,-.66,;-8.27,.68,;-2.59,-1.29,;-3.26,-2.68,;-2.59,-4.06,;-1.09,-4.41,;-1.72,-2.68,;.11,-3.45,;1.45,-4.22,;2.78,-3.45,;4.11,-4.22,)|

BDBM158859

COC[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c([C@@H](O)c4ccnn4C)n3C3CC(C3)c2cc1F |r,wU:3.3,wD:3.4,18.18,(6.09,4.41,;6.86,3.07,;6.09,1.74,;6.86,.4,;8.19,1.17,;7.63,-.93,;5.52,-.37,;4.19,-1.14,;2.86,-1.91,;1.52,-1.14,;.19,-1.91,;-1.01,-.95,;-.88,.59,;-2.29,1.19,;-2.69,2.68,;-4.18,3.08,;-1.6,3.77,;-3.31,.03,;-4.79,.43,;-5.19,1.92,;-5.88,-.66,;-5.41,-2.12,;-6.65,-3.03,;-7.9,-2.12,;-7.42,-.66,;-8.19,.68,;-2.52,-1.29,;-3.18,-2.68,;-2.52,-4.06,;-1.01,-4.41,;-1.64,-2.68,;.19,-3.45,;1.52,-4.22,;2.86,-3.45,;4.19,-4.22,)|

BDBM158842

COC[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c([C@H](O)c4ccnn4C)n3C3CC(C3)c2cc1F |r,wU:3.3,18.18,wD:3.4,(6.09,4.41,;6.86,3.07,;6.09,1.74,;6.86,.4,;8.19,1.17,;7.63,-.93,;5.52,-.37,;4.19,-1.14,;2.86,-1.91,;1.52,-1.14,;.19,-1.91,;-1.01,-.95,;-.88,.59,;-2.29,1.19,;-2.69,2.68,;-4.18,3.08,;-1.6,3.77,;-3.31,.03,;-4.79,.43,;-5.19,1.92,;-5.88,-.66,;-5.41,-2.12,;-6.65,-3.03,;-7.9,-2.12,;-7.42,-.66,;-8.19,.68,;-2.52,-1.29,;-3.18,-2.68,;-2.52,-4.06,;-1.01,-4.41,;-1.64,-2.68,;.19,-3.45,;1.52,-4.22,;2.86,-3.45,;4.19,-4.22,)|

BDBM158689

COC[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:3.3,wD:3.4,(3.44,4.33,;3.44,2.79,;4.77,2.02,;4.77,.48,;5.54,-.85,;6.26,.88,;3.44,-.29,;2.11,-1.06,;.77,-1.83,;-.56,-1.06,;-1.89,-1.83,;-3.1,-.87,;-2.96,.66,;-4.38,1.27,;-5.39,.11,;-4.6,-1.21,;-5.27,-2.6,;-4.6,-3.99,;-3.1,-4.33,;-3.66,-2.83,;-1.89,-3.37,;-.56,-4.14,;.77,-3.37,;2.11,-4.14,;-4.77,2.76,;-6.26,3.16,;-3.69,3.85,)|

BDBM158981

COC[C@](C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159008

COC[C@](C)(O)C#Cc1ccc2OC[C@@H](F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159010

COC[C@](C)(O)C#Cc1ccc2OC[C@H](F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM681647

COCc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159147

CO[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159148

CO[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681648

CO[C@]1(CCN(C)C1=O)C#Cc1cccc(c1)-c1ccc2ncnc(N)c2n1 |r|

BDBM50527731

COc1cc(cc(c1)-c1c[nH]c2cnc(N)nc12)C#CC(C)(O)c1nccs1

BDBM681555

COc1cc(cc2c(N)ncnc12)-c1cccc(c1)C#CC1(O)CCN(C)C1=O

BDBM50457815

COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM50457817

COc1cc(nc(n1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|

BDBM527653

COc1cc2CCC(=O)Nc2cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM527658

COc1cc2CCN(C)CCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527644

COc1cc2N(CCc2cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N)C(=O)CN(C)C

BDBM527634

COc1cc2N(CCc2cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N)C(C)=O

BDBM527729

COc1cc2[nH]ccc2cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM50527753

COc1ccc(cc1-c1c[nH]c2cnc(N)nc12)C#CC(C)(O)c1nccs1

BDBM681602

COc1ccc(cc1-c1ccc2nc(C)nc(N)c2n1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681580

COc1ccc(cc1-c1ccc2ncnc(N)c2n1)C#CC1(O)CCN(C)C1=O

BDBM681601

COc1ccc(cc1-c1ccc2ncnc(N)c2n1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681635

COc1ccc(cc1-c1nc2c(N)ncnc2s1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681494

COc1ccc(cc1-c1ncc2ccnc(N)c2n1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681618

COc1ccc(cc1-c1ncc2ncnc(N)c2n1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50527737

COc1ccc(cc1-n1ccc2cnc(N)nc12)C#CC(C)(O)c1nccs1

BDBM50527727

COc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12

BDBM50429631

COc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1

BDBM312809

COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50574093

COc1cccc(OC)c1-c1ccc(s1)-c1cnc2cc(ccn12)-c1cnn(C)c1

BDBM50527725

COc1cccc(n1)C(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12

BDBM312808

COc1ccn2c(nc(-c3cccc(c3)C#C[C@]3(O)CCN(C)C3=O)c2c1)C(N)=O |r|

BDBM431888

COc1ccn2c(nc(-c3cccc(c3)C#C[C@]3(O)[C@H]4C[C@H]4N(C)C3=O)c2c1)C(N)=O |r|

BDBM552822

COc1cnc2[nH]cc(-c3nc(cs3)-c3cccc(c3)[C@]3(O)CCN(C)C3=O)c2c1 |r|

BDBM312785

COc1cnc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM50527742

COc1nc(N)nc2n(ccc12)-c1cccc(c1)C#CC(C)(O)c1nccs1

BDBM527681

COc1nc2CCN(C)Cc2cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CC(F)F)c(c1)C#N

BDBM527679

COc1nc2CCN(Cc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C1CC1 |r|

BDBM527659

COc1nc2CCOCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527683

COc1nc2CCOCc2cc1Nc1ncnc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527675

COc1nc2CN(C)CCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527726

COc1nc2n(CC(=O)N(C)C)ccc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM158870

COc1ncc(F)cc1[C@@H](O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:9.10,(-8.94,1.55,;-7.4,1.55,;-6.63,.22,;-7.71,-.87,;-7.32,-2.36,;-5.83,-2.76,;-5.43,-4.25,;-4.74,-1.67,;-5.14,-.18,;-4.05,.91,;-4.45,2.4,;-2.56,.51,;-1.55,1.67,;-.13,1.06,;-.27,-.47,;.93,-1.43,;2.27,-.66,;3.6,-1.43,;4.93,-.66,;6.27,.11,;7.6,.88,;7.6,2.42,;8.94,1.65,;8.94,.11,;3.6,-2.97,;4.93,-3.74,;2.27,-3.74,;.93,-2.97,;-.27,-3.93,;-1.77,-3.59,;-2.44,-2.2,;-.95,-2.52,;-1.77,-.81,;-1.95,3.16,;-3.43,3.55,;-.86,4.25,)|

BDBM158873

COc1ncc(F)cc1[C@@H](O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:9.10,(-8.72,2.1,;-7.24,1.7,;-6.84,.22,;-7.93,-.87,;-7.53,-2.36,;-6.04,-2.76,;-5.64,-4.25,;-4.95,-1.67,;-5.35,-.18,;-4.26,.91,;-4.66,2.4,;-2.77,.51,;-1.76,1.67,;-.34,1.06,;-.48,-.47,;.72,-1.43,;2.06,-.66,;3.39,-1.43,;4.72,-.66,;6.06,.11,;7.39,.88,;8.72,.11,;8.64,1.78,;8.16,3.25,;6.62,3.25,;6.14,1.78,;3.39,-2.97,;4.72,-3.74,;2.06,-3.74,;.72,-2.97,;-.48,-3.93,;-1.98,-3.59,;-2.65,-2.2,;-1.09,-2.5,;-1.98,-.81,;-2.16,3.16,;-3.65,3.55,;-1.07,4.25,)|

BDBM158871

COc1ncc(F)cc1[C@H](O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |r,wD:9.10,(-8.75,1.7,;-7.21,1.7,;-6.81,.22,;-7.9,-.87,;-7.5,-2.36,;-6.01,-2.76,;-5.62,-4.25,;-4.93,-1.67,;-5.32,-.18,;-4.23,.91,;-4.63,2.4,;-2.75,.51,;-1.73,1.67,;-.32,1.06,;-.46,-.47,;.75,-1.43,;2.08,-.66,;3.42,-1.43,;4.75,-.66,;6.08,.11,;7.42,.88,;7.42,2.42,;8.75,1.65,;8.75,.11,;3.42,-2.97,;4.75,-3.74,;2.08,-3.74,;.75,-2.97,;-.46,-3.93,;-1.96,-3.59,;-2.63,-2.2,;-1.07,-2.5,;-1.96,-.81,;-2.13,3.16,;-3.62,3.55,;-1.04,4.25,)|

BDBM158874

COc1ncc(F)cc1[C@H](O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |r,wD:9.10,(-6.89,2.79,;-7.98,1.7,;-7.58,.22,;-8.67,-.87,;-8.27,-2.36,;-6.78,-2.76,;-6.38,-4.25,;-5.69,-1.67,;-6.09,-.18,;-5,.91,;-5.4,2.4,;-3.51,.51,;-2.5,1.67,;-1.08,1.06,;-1.22,-.47,;-.02,-1.43,;1.32,-.66,;2.65,-1.43,;3.98,-.66,;5.32,.11,;6.65,.88,;7.42,-.45,;8.19,.88,;8.67,2.34,;7.42,3.25,;6.17,2.34,;2.65,-2.97,;3.98,-3.74,;1.32,-3.74,;-.02,-2.97,;-1.22,-3.93,;-2.72,-3.59,;-3.39,-2.2,;-1.78,-2.2,;-2.72,-.81,;-2.9,3.16,;-4.39,3.55,;-1.81,4.25,)|

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM552801

CS(=O)(=O)c1cnc2[nH]cc(-c3nc(cs3)-c3cccc(c3)[C@]3(O)Cc4nccn4C3)c2c1 |r|

BDBM681759

C[C@@H]1CC(O)(C#Cc2ccc(C)c(c2)-c2nc3c(N)ncnc3s2)C(=O)N1C |r|

BDBM681734

C[C@@H]1CN(C)C(=O)[C@@]1(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681732

C[C@@H]1CN(C)C(=O)[C@]1(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM50541600

C[C@@H]1CN(CCN1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1 |r|

BDBM159051

C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM159086

C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1ncccn1 |r|

BDBM159036

C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1noc(C)n1 |r|

BDBM159018

C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCCN(C)C1=O |r|

BDBM158966

C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159087

C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCNC1=O |r|

BDBM159082

C[C@@H]1COc2ccc(cc2-n2nc(C(N)=O)c(c12)C(F)(F)F)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159214

C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@@](C)(O)c1ncccn1 |r|

BDBM159029

C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@@](C)(O)c1noc(C)n1 |r|

BDBM159038

C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1 |r|

BDBM159021

C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681706

C[C@@H]1C[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C(=O)N1C |r|

BDBM681702

C[C@@H]1C[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C(=O)N1C |r|

BDBM681708

C[C@@H]1C[C@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C(=O)N1C |r|

BDBM681705

C[C@@H]1C[C@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C(=O)N1C |r|

BDBM158770

C[C@@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O |r|

BDBM158802

C[C@@](O)(C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)C4CC4)n3CCOc2cc1F)c1ncccn1 |r|

BDBM158796

C[C@@](O)(C#Cc1cc2-c3nc([nH]c3C3CC(C3)c2cc1F)C(N)=O)c1ncccn1 |r,wU:1.0,wD:1.1,(5.62,-1.24,;4.85,.1,;6.19,-.67,;3.52,-.67,;2.18,-1.44,;.85,-2.21,;-.48,-1.44,;-1.82,-2.21,;-3.02,-1.25,;-2.88,.28,;-4.3,.88,;-5.31,-.28,;-4.52,-1.6,;-5.19,-2.98,;-4.52,-4.37,;-3.02,-4.72,;-3.69,-3.25,;-1.82,-3.75,;-.48,-4.52,;.85,-3.75,;2.18,-4.52,;-4.7,2.37,;-3.61,3.46,;-6.19,2.77,;4.85,1.64,;6.19,2.41,;6.19,3.95,;4.85,4.72,;3.52,3.95,;3.52,2.41,)|

BDBM158759

C[C@@](O)(C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O)c1ccccn1 |r,wU:1.1,wD:1.2,(3.42,1.58,;4.19,.25,;5.52,-.52,;2.86,-.52,;1.52,-1.29,;.19,-2.06,;-1.14,-1.29,;-2.48,-2.06,;-3.68,-1.1,;-3.54,.43,;-4.96,1.04,;-5.97,-.12,;-5.18,-1.44,;-5.85,-2.83,;-5.18,-4.22,;-3.68,-4.56,;-4.24,-3.15,;-2.48,-3.6,;-1.14,-4.37,;.19,-3.6,;1.52,-4.37,;-5.36,2.53,;-4.27,3.62,;-6.85,2.93,;4.96,1.58,;3.87,2.67,;4.27,4.16,;5.76,4.56,;6.85,3.47,;6.45,1.98,)|

BDBM50527726

C[C@@](O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 |r|

BDBM50541624

C[C@@](O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1 |r|

BDBM50527733

C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r|

BDBM159208

C[C@@](O)(C#Cc1ccc2OCC(F)(F)c3cc(nn3-c2c1)C(N)=O)c1cccnn1 |r|

BDBM159160

C[C@@](O)(C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O)c1ncccn1 |r|

BDBM158804

C[C@@](O)(C#Cc1ccc2OCCn3c(nc(C(N)=O)c3-c3nc(n[nH]3)C3CC3)-c2c1)c1ncccn1 |r|

BDBM159222

C[C@@](O)(C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O)c1ncns1 |r|

BDBM159085

C[C@@](O)(C#Cc1ccc2OC[C@@](C)(F)c3sc(nc3-c2c1)C(N)=O)c1ncccn1 |r|

BDBM159066

C[C@@](O)(C#Cc1ccc2OC[C@](C)(F)c3sc(nc3-c2c1)C(N)=O)c1ncccn1 |r|

BDBM681531

C[C@@](O)(C#Cc1cccc(c1)-c1ccc2ccnc(N)c2n1)c1nccs1 |r|

BDBM681546

C[C@@](O)(C#Cc1cccc(c1)-c1ccc2ncnc(N)c2c1)c1nccs1 |r|

BDBM681534

C[C@@](O)(C#Cc1cccc(c1)-c1ccc2ncnc(N)c2n1)c1nccs1 |r|

BDBM681549

C[C@@](O)(C#Cc1cccc(c1)-c1cnc2ncnc(N)c2c1)c1nccs1 |r|

BDBM681490

C[C@@](O)(C#Cc1cccc(c1)-c1nc(c2ccnc(N)c2n1)C(F)(F)F)c1nccs1 |r|

BDBM681473

C[C@@](O)(C#Cc1cccc(c1)-c1ncc2ccnc(N)c2n1)c1nccs1 |r|

BDBM159047

C[C@@](O)(CF)C#Cc1ccc2OCC(F)(F)c3cc(nn3-c2c1)C(N)=O |r|

BDBM552833

C[C@@](O)(c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12)c1ccccn1

BDBM552851

C[C@@](O)(c1ncc[nH]1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552837

C[C@@](O)(c1nccs1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM523669

C[C@@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn(CCC3CC3)c2CN2CCOCC2)n1 |r|

BDBM159158

C[C@@]1(O)COc2ccc(cc2-c2nc(sc12)C(N)=O)C#CC1(O)CCCC1 |r|

BDBM552880

C[C@@]1(O)C[C@@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552879

C[C@@]1(O)C[C@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM681733

C[C@H]1CN(C)C(=O)[C@@]1(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681731

C[C@H]1CN(C)C(=O)[C@]1(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM50541601

C[C@H]1CN(CCN1)c1ccc(cc1Nc1ncnc2[nH]ccc12)C#CC(C)(O)c1nccs1 |r|

BDBM159061

C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM159068

C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1ncccn1 |r|

BDBM159043

C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1noc(C)n1 |r|

BDBM159026

C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCCN(C)C1=O |r|

BDBM158967

C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159077

C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCNC1=O |r|

BDBM159089

C[C@H]1COc2ccc(cc2-n2nc(C(N)=O)c(c12)C(F)(F)F)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM159215

C[C@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@@](C)(O)c1ncccn1 |r|

BDBM159024

C[C@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@@](C)(O)c1noc(C)n1 |r|

BDBM159044

C[C@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1 |r|

BDBM159027

C[C@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|

BDBM681709

C[C@H]1C[C@@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C(=O)N1C |r|

BDBM681703

C[C@H]1C[C@@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C(=O)N1C |r|

BDBM681707

C[C@H]1C[C@](O)(C#Cc2cccc(c2)-c2ccc3nc(C)nc(N)c3n2)C(=O)N1C |r|

BDBM681704

C[C@H]1C[C@](O)(C#Cc2cccc(c2)-c2ccc3ncnc(N)c3n2)C(=O)N1C |r|

BDBM158769

C[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O |r|

BDBM50527773

C[C@](O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 |r|

BDBM50541625

C[C@](O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1 |r|

BDBM159223

C[C@](O)(C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O)c1ncns1 |r|

BDBM159046

C[C@](O)(CF)C#Cc1ccc2OCC(F)(F)c3cc(nn3-c2c1)C(N)=O |r|

BDBM681578

C[C@](O)(Cc1nccs1)C#Cc1cccc(c1)-c1ncc2ncnc(N)c2n1 |r|

BDBM552834

C[C@](O)(c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12)c1ccccn1

BDBM552853

C[C@](O)(c1ncc[nH]1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552850

C[C@](O)(c1ncc[nH]1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552838

C[C@](O)(c1nccs1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM523729

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1cc(Nc2cn(CC(F)F)nc2C2CCOCC2)ncn1 |r|

BDBM523722

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(C(=O)N3CCCC3)n(n2)C2CCCC2)n1 |r|

BDBM523662

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2CC2CCN(CC(F)(F)F)CC2)n1 |r|

BDBM523644

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2CC2CCN(CCF)CC2)n1 |r|

BDBM523625

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2CCC2CC2)n1 |r|

BDBM523623

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2C[C@@H]2CCCO2)n1 |r|

BDBM523639

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2C[C@@H]2CCOC2)n1 |r|

BDBM523636

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2C[C@@H]2COCCO2)n1 |r|

BDBM523624

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2C[C@H]2CCCO2)n1 |r|

BDBM523643

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(Cl)nn2C[C@H]2COCCO2)n1 |r|

BDBM50457313

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(ccc2CO)C#N)n1 |r|

BDBM50457309

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(ccc2OC2CC2)C#N)n1 |r|

BDBM523638

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(nn2CCC2CC2)C#N)n1 |r|

BDBM527680

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COCCc3n(CCC3CC3)c2=O)n1 |r|

BDBM527656

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COCCc3nc2C#CC2CC2)n1 |r|

BDBM527655

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COCCc3nc2CCC2CC2)n1 |r|

BDBM527676

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COCCc3nc2OC2CCCC2)n1 |r|

BDBM527669

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc3COCCc3nc2OCC2CC2)n1 |r|

BDBM523551

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2ccn(CC3CC3)n2)n1 |r|

BDBM523698

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cn(CC(F)F)nc2C(=O)N2CCCC2)n1 |r|

BDBM523714

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cn(CC(F)F)nc2C2CC2)n1 |r|

BDBM523727

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cn(CC(F)F)nc2OC2CC2)n1 |r|

BDBM527674

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnc3CCN(Cc3c2)C2CC2)n1 |r|

BDBM523668

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn(CCC3CC3)c2CN2CCOCC2)n1 |r|

BDBM523709

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn(CCN3CC4COCC4C3)c2N2CCOCC2)n1 |r|

BDBM523717

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2Cl)n1 |r|

BDBM527715

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn3CC(C)(CO)COc23)n1 |r|

BDBM527709

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn3CCC(C)(C)Oc23)n1 |r|

BDBM527698

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn3CCCOc23)n1 |r|

BDBM527710

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn3CCN(Cc4ccccc4)C(=O)c23)n1 |r|

BDBM527696

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn3CCOCc23)n1 |r|

BDBM527708

C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cnn3c2OCCC3(C)C)n1 |r|

BDBM159159

C[C@]1(O)COc2ccc(cc2-c2nc(sc12)C(N)=O)C#CC1(O)CCCC1 |r|

BDBM552878

C[C@]1(O)C[C@@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552881

C[C@]1(O)C[C@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM50429638

Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(N)n1

BDBM50429625

Cc1[nH]c2ccc(Cl)cc2c1-c1nc(N)ncc1C |(22.74,-11.68,;23.97,-10.75,;25.45,-11.2,;26.32,-9.94,;27.85,-9.75,;28.45,-8.33,;27.51,-7.1,;28.11,-5.68,;25.99,-7.29,;25.4,-8.71,;23.94,-9.21,;22.68,-8.33,;22.68,-6.78,;21.34,-6.01,;21.33,-4.47,;20.01,-6.78,;20.01,-8.33,;21.34,-9.1,;21.34,-10.64,)|

BDBM50527766

Cc1[nH]c2cnc(N)nc2c1-c1cccc(c1)C#CC(C)(O)c1nccs1

BDBM523547

Cc1c(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cnn1C

BDBM523583

Cc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1C1CCOCC1 |r|

BDBM523587

Cc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CC1CCOCC1 |r|

BDBM523680

Cc1c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cnn1CCN1CCOCC1 |r|

BDBM158559

Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158846

Cc1c(nc2-c3cc(C#C[C@@](C)(O)c4ncccn4)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:10.11,wD:10.10,(-7.83,.75,;-6.34,.35,;-5.33,1.51,;-3.91,.91,;-4.05,-.63,;-2.84,-1.59,;-1.51,-.82,;-.18,-1.59,;1.16,-.82,;2.49,-.05,;3.82,.72,;5.16,1.49,;3.82,2.26,;5.16,-.05,;5.16,-1.59,;6.49,-2.36,;7.83,-1.59,;7.83,-.05,;6.49,.72,;-.18,-3.13,;1.16,-3.9,;-1.51,-3.9,;-2.84,-3.13,;-4.05,-4.09,;-5.55,-3.75,;-6.22,-2.36,;-5.18,-2.59,;-5.55,-.97,;-5.72,3,;-4.63,4.09,;-7.21,3.4,)|

BDBM527645

Cc1c2CC(=O)Nc2ccc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM50457311

Cc1cc(CCN2CCOCC2)c(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N |r|

BDBM50457303

Cc1cc(F)c(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM50457308

Cc1cc(F)c(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N |r|

BDBM523350

Cc1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n(C)n1

BDBM523524

Cc1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)nn1C

BDBM523683

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@@]3(C)CO)c(c2)C#N)n(CC2CCN(CCF)CC2)n1 |r|

BDBM523591

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(=O)N(C2CC2)C2CC2)n1 |r|

BDBM523598

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(=O)N2CC(F)(F)C2)n1 |r|

BDBM523599

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(=O)N2CCCC2)n1 |r|

BDBM523688

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(=O)N2CCCCC2)n1 |r|

BDBM523695

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(F)F)n1 |r|

BDBM523645

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC(O)=O)n1 |r|

BDBM523621

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2(C)COC2)n1 |r|

BDBM523579

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCCCO2)n1 |r|

BDBM523562

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCCO2)n1 |r|

BDBM523605

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCCOC2)n1 |r|

BDBM523647

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCN(CC(F)(F)F)CC2)n1 |r|

BDBM523723

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCN(CC(O)=O)CC2)n1 |r|

BDBM523682

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCN(CCF)CC2)n1 |r|

BDBM523592

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCOC2)n1 |r|

BDBM523572

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCOCC2)n1 |r|

BDBM523711

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2CCn3ccnc3C2)n1 |r|

BDBM523595

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC2COCCO2)n1 |r|

BDBM523584

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CC=C)n1 |r|

BDBM523618

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CCC(C)(C)O)n1 |r|

BDBM523664

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CCC2(C)COC2)n1 |r|

BDBM523607

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CCC2CC2)n1 |r|

BDBM523603

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CCCO)n1 |r|

BDBM523675

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(CCN2CCOCC2)n1 |r|

BDBM523574

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(n1)C1CCOCC1 |r|

BDBM523544

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n(n1)C1CCS(=O)(=O)C1 |r|

BDBM523581

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CC1CCCCO1 |r|

BDBM523571

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CC1CCOCC1 |r|

BDBM523619

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CCC(C)(C)O |r|

BDBM523606

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CCC1CC1 |r|

BDBM523691

Cc1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)nn1CCN1CCOCC1 |r|

BDBM158813

Cc1cc([nH]n1)-c1c(nc2-c3cc(C#C[C@@](C)(O)c4noc(C)n4)c(F)cc3OCCn12)C(N)=O |r|

BDBM681493

Cc1cc(cc(c1)-c1ncc2ccnc(N)c2n1)C#C[C@]1(O)CCc2cccnc12 |r|

BDBM50527729

Cc1cc(no1)C(C)(O)C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12

BDBM158729

Cc1cc(no1)C(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C(F)(F)F |(9.15,.72,;7.82,-.05,;6.57,.86,;5.32,-.05,;5.8,-1.51,;7.34,-1.51,;3.99,.72,;5.32,1.49,;3.99,2.26,;2.66,-.05,;1.32,-.82,;-.01,-1.59,;-1.34,-.82,;-2.68,-1.59,;-3.88,-.63,;-3.74,.91,;-5.16,1.51,;-5.56,3,;-4.47,4.09,;-7.05,3.4,;-6.17,.35,;-5.38,-.97,;-6.05,-2.36,;-5.38,-3.75,;-3.88,-4.09,;-4.44,-2.67,;-2.68,-3.13,;-1.34,-3.9,;-.01,-3.13,;1.32,-3.9,;-7.66,.75,;-8.75,-.34,;-8.06,2.24,;-9.15,1.15,)|

BDBM158715

Cc1cc(no1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1Cl)C(N)=O

BDBM158928

Cc1cc(no1)C(C)(O)C#Cc1ccc2OC(CO)Cn3cc(nc3-c2c1)C(N)=O

BDBM50527755

Cc1cc(no1)C(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12

BDBM158590

Cc1cc(no1)[C@@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F |r|

BDBM158875

Cc1cc(no1)[C@@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.8,wD:6.7,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.63,-3.59,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)|

BDBM158645

Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |r|

BDBM158971

Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2O[C@@H](CO)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM158972

Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2O[C@H](CO)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM158762

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cnn(CC(C)(C)O)c4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.7,(11.45,.72,;10.11,-.05,;8.87,.86,;7.62,-.05,;8.1,-1.51,;9.64,-1.51,;6.29,.72,;7.62,1.49,;6.29,2.26,;4.95,-.05,;3.62,-.82,;2.28,-1.59,;.95,-.82,;-.38,-1.59,;-1.59,-.63,;-1.45,.91,;-2.86,1.51,;-3.26,3,;-2.17,4.09,;-4.75,3.4,;-3.88,.35,;-5.37,.75,;-6.61,-.15,;-7.86,.75,;-7.38,2.21,;-8.47,3.3,;-9.96,2.91,;-11.05,3.99,;-10.36,1.42,;-11.45,2.51,;-5.84,2.21,;-3.09,-.97,;-3.76,-2.36,;-3.09,-3.75,;-1.59,-4.09,;-2.68,-2.67,;-.38,-3.13,;.95,-3.9,;2.28,-3.13,;3.62,-3.9,)|

BDBM158746

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cnn(CC(C)(C)O)c4)n3CCOc2cc1F |r|

BDBM158632

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCC#N)n3CCOc2cc1F |r|

BDBM158799

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.7,(8.41,.72,;7.07,-.05,;5.83,.86,;4.58,-.05,;5.06,-1.51,;6.6,-1.51,;3.25,.72,;4.58,1.49,;3.25,2.26,;1.91,-.05,;.58,-.82,;-.76,-1.59,;-2.09,-.82,;-3.42,-1.59,;-4.63,-.63,;-4.49,.91,;-5.9,1.51,;-6.3,3,;-5.21,4.09,;-7.79,3.4,;-6.92,.35,;-8.41,.75,;-6.13,-.97,;-6.8,-2.36,;-6.13,-3.75,;-4.63,-4.09,;-5.59,-2.57,;-3.42,-3.13,;-2.09,-3.9,;-.76,-3.13,;.58,-3.9,)|

BDBM158743

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)|

BDBM158922

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CN4CCCC4)n3CCOc2cc1F |r|

BDBM158888

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CNC(=O)C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.7,(10.85,.72,;9.51,-.05,;8.27,.86,;7.02,-.05,;7.5,-1.51,;9.04,-1.51,;5.69,.72,;7.02,1.49,;5.69,2.26,;4.36,-.05,;3.02,-.82,;1.69,-1.59,;.35,-.82,;-.98,-1.59,;-2.18,-.63,;-2.05,.91,;-3.46,1.51,;-3.86,3,;-2.77,4.09,;-5.35,3.4,;-4.47,.35,;-5.96,.75,;-7.05,-.34,;-8.59,-.34,;-9.36,1,;-9.36,-1.67,;-10.85,-2.07,;-9.76,-3.16,;-3.68,-.97,;-4.35,-2.36,;-3.68,-3.75,;-2.18,-4.09,;-2.79,-2.65,;-.98,-3.13,;.35,-3.9,;1.69,-3.13,;3.02,-3.9,)|

BDBM158851

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C(C)(C)O |r,wU:6.8,wD:6.7,(9.28,1.13,;7.94,.36,;6.7,1.26,;5.45,.36,;5.93,-1.11,;7.47,-1.11,;4.12,1.13,;5.45,1.9,;3.72,2.62,;2.78,.36,;1.45,-.41,;.12,-1.18,;-1.28,-.53,;-2.54,-1.42,;-3.83,-.57,;-3.83,.97,;-5.29,1.44,;-5.69,2.93,;-7.18,3.33,;-4.6,4.02,;-6.2,.2,;-5.29,-1.05,;-5.83,-2.49,;-5.04,-3.81,;-3.52,-4.02,;-4.23,-2.28,;-2.4,-2.96,;-1.01,-3.6,;.25,-2.72,;1.59,-3.49,;-7.74,.2,;-8.51,-1.14,;-9.28,.2,;-8.51,1.53,)|

BDBM158649

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3CCOc2cc1F)C(F)(F)F |r|

BDBM158794

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc([nH]c3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(6.29,5.03,;5.52,3.69,;5.99,2.23,;4.75,1.32,;3.5,2.23,;3.98,3.69,;4.75,-.22,;5.15,-1.7,;6.08,-.99,;3.41,-.99,;2.08,-1.76,;.75,-2.53,;-.59,-1.76,;-1.92,-2.53,;-3.12,-1.57,;-2.99,-.03,;-4.4,.57,;-5.42,-.59,;-4.63,-1.91,;-5.29,-3.3,;-4.63,-4.68,;-3.12,-5.03,;-3.68,-3.61,;-1.92,-4.07,;-.59,-4.84,;.75,-4.07,;2.08,-4.84,;-4.8,2.06,;-3.71,3.15,;-6.29,2.46,)|

BDBM158654

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)|

BDBM158563

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1C)C(N)=O |r|

BDBM158531

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r|

BDBM158564

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O |r|

BDBM158954

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3sc(cc3CCOc2cc1F)C(N)=O |r|

BDBM681520

Cc1cc(no1)[C@](C)(O)C#Cc1ccc(C)c(c1)-c1ccc2ccnc(N)c2c1 |r|

BDBM681658

Cc1cc(no1)[C@](C)(O)C#Cc1ccc(C)c(c1)-c1nc2c(N)ncnc2s1 |r|

BDBM681523

Cc1cc(no1)[C@](C)(O)C#Cc1ccc(C)c(c1)-c1ncc2ccnc(N)c2n1 |r|

BDBM159133

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)c3sc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.1,.72,;6.76,-.05,;5.52,.86,;4.27,-.05,;4.75,-1.51,;6.29,-1.51,;2.94,.72,;3.71,2.06,;2.17,2.06,;1.6,-.05,;.27,-.82,;-1.06,-1.59,;-1.06,-3.13,;-2.4,-3.9,;-3.73,-3.13,;-4.93,-4.09,;-6.44,-3.75,;-7.1,-2.36,;-5.55,-2.66,;-6.44,-.97,;-7.22,.35,;-6.21,1.51,;-4.8,.91,;-4.93,-.63,;-3.73,-1.59,;-2.4,-.82,;-6.61,3,;-5.52,4.09,;-8.1,3.4,)|

BDBM158744

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(CC4(C)COC4)c(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.9,(8.47,4.46,;7.7,3.13,;6.24,2.66,;6.24,1.12,;7.7,.64,;8.61,1.89,;4.9,.35,;3.57,1.12,;5.67,-.99,;3.57,-.42,;2.24,-1.19,;.9,-1.96,;.9,-3.5,;-.43,-4.27,;-1.77,-3.5,;-2.97,-4.46,;-4.47,-4.12,;-5.14,-2.73,;-3.52,-3.05,;-4.47,-1.35,;-5.26,-.03,;-6.75,.37,;-7.52,-.96,;-8.29,.37,;-8.61,-2.05,;-7.52,-3.14,;-6.43,-2.05,;-4.25,1.13,;-2.83,.53,;-2.97,-1,;-1.77,-1.96,;-.43,-1.19,;-4.65,2.62,;-3.56,3.71,;-6.13,3.02,)|

BDBM158949

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(CN4CCCC4)c(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(9.96,.72,;8.62,-.05,;7.38,.86,;6.13,-.05,;6.61,-1.51,;8.15,-1.51,;4.8,.72,;6.13,1.49,;4.8,2.26,;3.46,-.05,;2.13,-.82,;.8,-1.59,;.8,-3.13,;-.54,-3.9,;-1.87,-3.13,;-3.07,-4.09,;-4.58,-3.75,;-5.24,-2.36,;-3.69,-2.65,;-4.58,-.97,;-5.37,.35,;-6.85,.75,;-7.94,-.34,;-9.48,-.34,;-9.96,-1.8,;-8.71,-2.71,;-7.47,-1.8,;-4.35,1.51,;-2.94,.91,;-3.07,-.63,;-1.87,-1.59,;-.54,-.82,;-4.75,3,;-3.66,4.09,;-6.24,3.4,)|

BDBM158904

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(Cc4ccnn4C)c(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.57,-2.53,;-2.52,-1.14,;-3.31,.18,;-4.79,.58,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;-2.29,1.34,;-.88,.74,;-1.01,-.8,;.19,-1.76,;1.52,-.99,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,)|

BDBM158790

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3-c3cnn(CC(C)(C)O)c3)-c2c1 |r,wU:6.8,wD:6.7,(11.45,.72,;10.11,-.05,;8.87,.86,;7.62,-.05,;8.1,-1.51,;9.64,-1.51,;6.29,.72,;7.62,1.49,;6.29,2.26,;4.95,-.05,;3.62,-.82,;2.28,-1.59,;2.28,-3.13,;.95,-3.9,;-.38,-3.13,;-1.59,-4.09,;-3.09,-3.75,;-3.76,-2.36,;-2.56,-2.6,;-3.09,-.97,;-1.59,-.63,;-1.45,.91,;-2.86,1.51,;-3.26,3,;-2.17,4.09,;-4.75,3.4,;-3.88,.35,;-5.37,.75,;-6.61,-.15,;-7.86,.75,;-7.38,2.21,;-8.47,3.3,;-9.96,2.91,;-11.05,3.99,;-10.36,1.42,;-11.45,2.51,;-5.84,2.21,;-.38,-1.59,;.95,-.82,)|

BDBM158741

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C(=O)NC3CCOCC3)-c2c1 |r,wU:6.8,wD:6.7,(11.18,.72,;9.85,-.05,;8.6,.86,;7.36,-.05,;7.83,-1.51,;9.37,-1.51,;6.02,.72,;7.36,1.49,;6.02,2.26,;4.69,-.05,;3.35,-.82,;2.02,-1.59,;2.02,-3.13,;.69,-3.9,;-.65,-3.13,;-1.85,-4.09,;-3.35,-3.75,;-4.02,-2.36,;-2.41,-2.67,;-3.35,-.97,;-1.85,-.63,;-1.71,.91,;-3.13,1.51,;-3.53,3,;-5.01,3.4,;-2.44,4.09,;-4.14,.35,;-5.63,.75,;-6.03,2.24,;-6.72,-.34,;-8.21,.06,;-8.6,1.55,;-10.09,1.95,;-11.18,.86,;-10.78,-.63,;-9.29,-1.03,;-.65,-1.59,;.69,-.82,)|

BDBM158724

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C(F)(F)F)-c2c1 |r,wU:6.8,wD:6.7,(9.15,.72,;7.82,-.05,;6.57,.86,;5.32,-.05,;5.8,-1.51,;7.34,-1.51,;3.99,.72,;5.32,1.49,;3.99,2.26,;2.66,-.05,;1.32,-.82,;-.01,-1.59,;-.01,-3.13,;-1.34,-3.9,;-2.68,-3.13,;-3.88,-4.09,;-5.38,-3.75,;-6.05,-2.36,;-4.44,-2.67,;-5.38,-.97,;-3.88,-.63,;-3.74,.91,;-5.16,1.51,;-5.56,3,;-4.47,4.09,;-7.05,3.4,;-6.17,.35,;-7.66,.75,;-8.75,-.34,;-8.06,2.24,;-9.15,1.15,;-2.68,-1.59,;-1.34,-.82,)|

BDBM158884

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,wD:6.8,27.30,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|

BDBM158883

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,27.30,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|

BDBM158675

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.1,.72,;6.76,-.05,;5.52,.86,;4.27,-.05,;4.75,-1.51,;6.29,-1.51,;2.94,.72,;4.27,1.49,;2.94,2.26,;1.6,-.05,;.27,-.82,;-1.06,-1.59,;-1.06,-3.13,;-2.4,-3.9,;-3.73,-3.13,;-4.93,-4.09,;-6.44,-3.75,;-7.1,-2.36,;-5.49,-2.59,;-6.44,-.97,;-7.22,.35,;-6.21,1.51,;-4.8,.91,;-4.93,-.63,;-3.73,-1.59,;-2.4,-.82,;-6.61,3,;-5.52,4.09,;-8.1,3.4,)|

BDBM159120

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC(CN3CCOCC3)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM159197

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCC(F)(F)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159239

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCC3(CCC3)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159198

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCc3cc(nn3-c2c1)C(N)=O |r|

BDBM158910

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCc3nc(cn3-c2n1)C(N)=O |r|

BDBM158532

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O |r|

BDBM158758

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(C4CC4)c(nc3-c2c1)C(N)=O |r|

BDBM158628

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(CN4CCOCC4)c(nc3-c2c1)C(N)=O |r|

BDBM159228

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(COc4ccccc4Cl)c(nc3-c2c1)C(N)=O |r|

BDBM158940

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(Cn4c(C)nc5ccccc45)c(nc3-c2c1)C(N)=O |r|

BDBM159113

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NC(C)(C)CN3CCOCC3)-c2c1 |r|

BDBM159106

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NC3CCC(F)(F)CC3)-c2c1 |r|

BDBM159235

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NC3CCOCC3)-c2c1 |r|

BDBM159105

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NCC3CCOCC3)-c2c1 |r|

BDBM159103

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NCC3COC3)-c2c1 |r|

BDBM159112

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NC[C@@H]3CCOC3)-c2c1 |r|

BDBM159111

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NC[C@H]3CCOC3)-c2c1 |r|

BDBM159236

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NCc3cccc(F)c3)-c2c1 |r|

BDBM159104

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)NCc3cccnc3)-c2c1 |r|

BDBM159109

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)N[C@@H]3CCOC3)-c2c1 |r|

BDBM159108

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(=O)N[C@H]3CCOC3)-c2c1 |r|

BDBM158726

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3c(nc(C(N)=O)c3C(F)(F)F)-c2c1 |r|

BDBM158533

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |r|

BDBM159005

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@H](F)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159007

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@H](O)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159135

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@H](O)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159056

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@](C)(O)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159013

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@H](F)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159014

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@H](O)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159136

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@H](O)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159063

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OC[C@](C)(O)c3cc(nn3-c2c1)C(N)=O |r|

BDBM159130

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2O[C@@H](CF)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM158974

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2O[C@@H](CO)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM159125

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2O[C@@H](Cn3cc(nc3-c2c1)C(N)=O)C(C)(C)O |r|

BDBM159131

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2O[C@H](CF)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM158973

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2O[C@H](CO)Cn3cc(nc3-c2c1)C(N)=O |r|

BDBM159124

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2O[C@H](Cn3cc(nc3-c2c1)C(N)=O)C(C)(C)O |r|

BDBM681530

Cc1cc(no1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2ccnc(N)c2n1 |r|

BDBM681545

Cc1cc(no1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2ncnc(N)c2c1 |r|

BDBM681536

Cc1cc(no1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2ncnc(N)c2n1 |r|

BDBM681475

Cc1cc(no1)[C@](C)(O)C#Cc1cccc(c1)-c1ncc2ccnc(N)c2n1 |r|

BDBM158815

Cc1cc(on1)[C@@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.8,wD:6.7,(.42,4.77,;1.75,4,;2.23,2.53,;3.77,2.53,;4.24,4,;3,4.9,;4.54,1.2,;5.31,2.53,;6.02,.8,;3.45,.11,;2.36,-.98,;1.27,-2.07,;-.13,-1.42,;-1.39,-2.31,;-2.67,-1.46,;-2.67,.08,;-4.14,.56,;-5.04,-.69,;-4.14,-1.93,;-4.68,-3.37,;-3.89,-4.7,;-2.36,-4.9,;-3.13,-3.57,;-1.25,-3.84,;.15,-4.49,;1.41,-3.6,;2.74,-4.37,;-4.54,2.05,;-3.45,3.14,;-6.02,2.44,)|

BDBM158812

Cc1cc(on1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(.42,4.77,;1.75,4,;2.23,2.53,;3.77,2.53,;4.24,4,;3,4.9,;4.54,1.2,;5.31,2.53,;6.02,.8,;3.45,.11,;2.36,-.98,;1.27,-2.07,;-.13,-1.42,;-1.39,-2.31,;-2.67,-1.46,;-2.67,.08,;-4.14,.56,;-5.04,-.69,;-4.14,-1.93,;-4.68,-3.37,;-3.89,-4.7,;-2.36,-4.9,;-3.13,-3.57,;-1.25,-3.84,;.15,-4.49,;1.41,-3.6,;2.74,-4.37,;-4.54,2.05,;-3.45,3.14,;-6.02,2.44,)|

BDBM681504

Cc1cc2cnc(nc2c(N)n1)-c1cccc(c1)C#CC1(O)CCc2cccnc12

BDBM681492

Cc1cc2cnc(nc2c(N)n1)-c1cccc(c1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM681518

Cc1ccc(cc1-c1ccc2ccnc(N)c2c1)C#CC1(O)CCN(CC(F)(F)F)C1=O

BDBM681509

Cc1ccc(cc1-c1ccc2ccnc(N)c2c1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM681521

Cc1ccc(cc1-c1ccc2ccnc(N)c2c1)C#C[C@]1(O)CCc2cccnc12 |r|

BDBM681522

Cc1ccc(cc1-c1ccc2ccnc(N)c2c1)C#C[C@]1(O)CCn2ccnc12 |r|

BDBM681626

Cc1ccc(cc1-c1nc2c(N)ncnc2s1)C#CC1(O)CCCC1

BDBM681625

Cc1ccc(cc1-c1nc2c(N)ncnc2s1)C#C[C@]1(O)CCc2cccnc12 |r|

BDBM681624

Cc1ccc(cc1-c1nc2c(N)ncnc2s1)C#C[C@]1(O)CCn2ccnc12 |r|

BDBM681510

Cc1ccc(cc1-c1ncc2ccnc(N)c2n1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM681516

Cc1ccc(cc1-c1ncc2ccnc(N)c2n1)C#C[C@]1(O)CCc2cccnc12 |r|

BDBM50527770

Cc1ccc(cc1-n1ccc2cnc(N)nc12)C#CC(C)(O)c1nccs1

BDBM50527723

Cc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12

BDBM50457304

Cc1ccc(cc1Nc1ncc(F)c(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N |r|

BDBM158587

Cc1cccnc1C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158643

Cc1ccnc(c1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM50601641

Cc1ccnc(n1)C#Cc1ccc2ncn(-c3ccnc(N)n3)c2c1

BDBM552860

Cc1ccnc2[nH]cc(-c3nc(cs3)-c3cccc(c3)[C@]3(O)CCn4ccnc34)c12

BDBM681503

Cc1cnc(N)c2nc(ncc12)-c1cccc(c1)C#CC1(O)CCc2cccnc12

BDBM681527

Cc1cnc(N)c2nc(ncc12)-c1cccc(c1)C#CC1(O)CCn2ccnc12

BDBM681491

Cc1cnc(N)c2nc(ncc12)-c1cccc(c1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM50429626

Cc1cnc(N)nc1-c1c[nH]c2ccc(Cl)cc12

BDBM50502741

Cc1cnc(o1)C(C)(C)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C3CC3)-c2c1 |(46.46,-35.32,;44.92,-35.41,;44.1,-36.7,;42.62,-36.32,;42.52,-34.79,;43.95,-34.23,;41.23,-33.97,;40.44,-32.67,;42.05,-32.66,;40.1,-35.02,;38.97,-36.07,;37.85,-37.12,;38.19,-38.63,;37.06,-39.68,;35.59,-39.22,;34.62,-40.41,;33.08,-40.4,;32.13,-39.18,;33.76,-38.96,;32.49,-37.68,;33.88,-37.04,;33.7,-35.52,;32.2,-35.22,;31.55,-33.82,;32.44,-32.56,;30.02,-33.68,;31.45,-36.55,;29.92,-36.74,;28.51,-36.13,;28.69,-37.66,;35.25,-37.72,;36.38,-36.67,)|

BDBM159182

Cc1cnc(o1)[C@@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;2.65,2.21,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|

BDBM159183

Cc1cnc(o1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;3.05,2.27,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|

BDBM681607

Cc1cnc(s1)[C@@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681608

Cc1cnc(s1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM552854

Cc1cnc2[nH]cc(-c3nc(cs3)-c3cccc(c3)[C@@]3(O)CCn4ccnc34)c2n1

BDBM552855

Cc1cnc2[nH]cc(-c3nc(cs3)-c3cccc(c3)[C@]3(O)CCn4ccnc34)c2n1

BDBM552856

Cc1cnc2c(c[nH]c2n1)-c1nc(cs1)-c1cccc(c1)[C@]1(O)CCn2ccnc12

BDBM523657

Cc1coc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523655

Cc1csc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n1 |r|

BDBM681622

Cc1csc(n1)[C@@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681621

Cc1csc(n1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM158655

Cc1nc(-c2c(nc3-c4cc(C#CC(C)(C)O)c(F)cc4OCCn23)C(N)=O)n(CC(F)(F)F)n1 |(-8.34,2.53,;-7.01,1.76,;-5.55,2.23,;-4.64,.99,;-3.15,.59,;-2.14,1.75,;-.72,1.14,;-.86,-.39,;.34,-1.35,;1.68,-.58,;3.01,-1.35,;4.34,-.58,;5.68,.19,;7.01,.96,;7.01,2.5,;8.34,1.73,;8.34,.19,;3.01,-2.89,;4.34,-3.66,;1.68,-3.66,;.34,-2.89,;-.86,-3.85,;-2.36,-3.51,;-3.03,-2.12,;-2.36,-.73,;-2.54,3.23,;-4.03,3.63,;-1.45,4.32,;-5.55,-.26,;-5.15,-1.75,;-6.24,-2.84,;-5.84,-4.32,;-7.72,-2.44,;-6.63,-1.35,;-7.01,.22,)|

BDBM681643

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#CC(C)(O)c1c[nH]cn1

BDBM681606

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#CC1(O)CCCc2cccnc12

BDBM681636

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#CC1(O)CCN(CC=C)C1=O

BDBM681631

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@@](C)(O)c1ccccn1 |r|

BDBM681641

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@@](C)(O)c1cnccn1 |r|

BDBM681653

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@@](C)(O)c1cscn1 |r|

BDBM681633

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@@](C)(O)c1nc(cs1)C(F)(F)F |r|

BDBM681638

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@@](C)(O)c1ncccn1 |r|

BDBM681605

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM681632

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@](C)(O)c1ccccn1 |r|

BDBM681642

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@](C)(O)c1cnccn1 |r|

BDBM681650

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@](C)(O)c1cscn1 |r|

BDBM681634

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@](C)(O)c1nc(cs1)C(F)(F)F |r|

BDBM681639

Cc1nc(N)c2nc(ccc2n1)-c1cccc(c1)C#C[C@](C)(O)c1ncccn1 |r|

BDBM523658

Cc1nc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)sc1C |r|

BDBM158754

Cc1nc(c[nH]1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158657

Cc1nc(cn1C)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158679

Cc1nc(n[nH]1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM681501

Cc1nc(nc2c(N)nccc12)-c1cccc(c1)C#CC1(O)CCc2cccnc12

BDBM681489

Cc1nc(nc2c(N)nccc12)-c1cccc(c1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM681533

Cc1nc(nc2c(N)nccc12)-c1cccc(c1)C#C[C@]1(O)CCN(CC(F)(F)F)C1=O |r|

BDBM681525

Cc1nc(nc2c(N)nccc12)-c1cccc(c1)C#C[C@]1(O)CCn2ccnc12 |r|

BDBM681548

Cc1nc(nc2c(N)nccc12)-c1cccc(c1)C#Cc1ccn[nH]1

BDBM158756

Cc1nc(no1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1Cl)C(N)=O

BDBM158599

Cc1nc(no1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158942

Cc1nc(no1)[C@@](O)(CF)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r|

BDBM158797

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.7,(8.41,.72,;7.07,-.05,;5.83,.86,;4.58,-.05,;5.06,-1.51,;6.6,-1.51,;3.25,.72,;4.58,1.49,;3.25,2.26,;1.91,-.05,;.58,-.82,;-.76,-1.59,;-2.09,-.82,;-3.42,-1.59,;-4.63,-.63,;-4.49,.91,;-5.9,1.51,;-6.3,3,;-5.21,4.09,;-7.79,3.4,;-6.92,.35,;-8.41,.75,;-6.13,-.97,;-6.8,-2.36,;-6.13,-3.75,;-4.63,-4.09,;-5.59,-2.57,;-3.42,-3.13,;-2.09,-3.9,;-.76,-3.13,;.58,-3.9,)|

BDBM158708

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F |r|

BDBM158921

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(CN4CCCC4)n3CCOc2cc1F |r|

BDBM158730

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C(F)(F)F |r,wU:6.8,wD:6.7,(9.15,.72,;7.82,-.05,;6.57,.86,;5.32,-.05,;5.8,-1.51,;7.34,-1.51,;3.99,.72,;5.32,1.49,;3.99,2.26,;2.66,-.05,;1.32,-.82,;-.01,-1.59,;-1.34,-.82,;-2.68,-1.59,;-3.88,-.63,;-3.74,.91,;-5.16,1.51,;-5.56,3,;-4.47,4.09,;-7.05,3.4,;-6.17,.35,;-5.38,-.97,;-6.05,-2.36,;-5.38,-3.75,;-3.88,-4.09,;-4.44,-2.67,;-2.68,-3.13,;-1.34,-3.9,;-.01,-3.13,;1.32,-3.9,;-7.66,.75,;-8.75,-.34,;-8.06,2.24,;-9.15,1.15,)|

BDBM158806

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)n(C)c3C3CC(C3)c2cc1F |r,wU:6.7,wD:6.8,(6.6,5.03,;5.83,3.69,;6.3,2.23,;5.06,1.32,;3.81,2.23,;4.29,3.69,;5.06,-.22,;5.83,-1.55,;6.39,-.99,;3.72,-.99,;2.39,-1.76,;1.05,-2.53,;-.28,-1.76,;-1.61,-2.53,;-2.82,-1.57,;-2.68,-.03,;-4.09,.57,;-4.49,2.06,;-3.4,3.15,;-5.98,2.46,;-5.11,-.59,;-6.6,-.19,;-4.32,-1.91,;-4.99,-3.3,;-4.32,-4.68,;-2.82,-5.03,;-3.49,-3.63,;-1.61,-4.07,;-.28,-4.84,;1.05,-4.07,;2.39,-4.84,)|

BDBM158653

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(6.29,5.03,;5.52,3.69,;5.99,2.23,;4.75,1.32,;3.5,2.23,;3.98,3.69,;4.75,-.22,;6.08,.55,;6.08,-.99,;3.41,-.99,;2.08,-1.76,;.75,-2.53,;-.59,-1.76,;-1.92,-2.53,;-3.12,-1.57,;-2.99,-.03,;-4.4,.57,;-5.42,-.59,;-4.63,-1.91,;-5.29,-3.3,;-4.63,-4.68,;-3.12,-5.03,;-3.68,-3.53,;-1.92,-4.07,;-.59,-4.84,;.75,-4.07,;2.08,-4.84,;-4.8,2.06,;-6.29,2.46,;-3.71,3.15,)|

BDBM158646

Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O |r|

BDBM158951

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)c3c(nc(C(N)=O)n3C)-c2c1 |r,wU:6.7,wD:6.8,(6.6,5.03,;5.83,3.69,;6.3,2.23,;5.06,1.32,;3.81,2.23,;4.29,3.69,;5.06,-.22,;5.83,-1.55,;6.39,-.99,;3.72,-.99,;2.39,-1.76,;1.05,-2.53,;1.05,-4.07,;-.28,-4.84,;-1.61,-4.07,;-2.82,-5.03,;-4.32,-4.68,;-4.99,-3.3,;-3.43,-3.59,;-4.32,-1.91,;-2.82,-1.57,;-2.68,-.03,;-4.09,.57,;-4.49,2.06,;-3.4,3.15,;-5.98,2.46,;-5.11,-.59,;-6.6,-.19,;-1.61,-2.53,;-.28,-1.76,)|

BDBM158975

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)c3sc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(6.29,-4.3,;5.52,-2.97,;5.99,-1.51,;4.75,-.6,;3.5,-1.51,;3.98,-2.97,;4.75,.94,;6.08,1.71,;4.35,2.43,;3.41,.17,;2.08,-.6,;.75,-1.37,;.75,-2.91,;-.59,-3.68,;-1.92,-2.91,;-3.12,-3.87,;-4.63,-3.53,;-5.29,-2.14,;-3.7,-2.44,;-4.63,-.75,;-5.42,.57,;-4.4,1.73,;-2.99,1.12,;-3.12,-.41,;-1.92,-1.37,;-.59,-.6,;-4.8,3.22,;-3.71,4.3,;-6.29,3.61,)|

BDBM158785

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(Cc4ccnn4C)c(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(6.66,6.16,;5.89,4.82,;6.79,3.58,;5.89,2.33,;4.42,2.81,;4.42,4.35,;6.28,.85,;7.62,1.62,;7.62,.08,;5.2,-.24,;4.11,-1.33,;3.02,-2.42,;3.36,-3.92,;2.23,-4.97,;.76,-4.52,;-.2,-5.72,;-1.74,-5.72,;-2.7,-4.52,;-1.52,-4.52,;-2.36,-3.02,;-3.42,-1.9,;-4.91,-2.3,;-5.31,-3.79,;-4.83,-5.25,;-6.08,-6.16,;-7.32,-5.25,;-6.85,-3.79,;-7.62,-2.45,;-2.69,-.55,;-1.18,-.82,;-.97,-2.35,;.42,-3.02,;1.55,-1.97,;-3.46,.79,;-5,.79,;-2.69,2.12,)|

BDBM158725

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C(F)(F)F)-c2c1 |r,wU:6.8,wD:6.7,(9.15,.72,;7.82,-.05,;6.57,.86,;5.32,-.05,;5.8,-1.51,;7.34,-1.51,;3.99,.72,;5.32,1.49,;3.99,2.26,;2.66,-.05,;1.32,-.82,;-.01,-1.59,;-.01,-3.13,;-1.34,-3.9,;-2.68,-3.13,;-3.88,-4.09,;-5.38,-3.75,;-6.05,-2.36,;-4.44,-2.67,;-5.38,-.97,;-3.88,-.63,;-3.74,.91,;-5.16,1.51,;-5.56,3,;-4.47,4.09,;-7.05,3.4,;-6.17,.35,;-7.66,.75,;-8.75,-.34,;-8.06,2.24,;-9.15,1.15,;-2.68,-1.59,;-1.34,-.82,)|

BDBM158881

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C(O)c3ccnn3C)-c2c1 |r,wU:6.7,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.57,-2.53,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|

BDBM158673

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.1,.72,;6.76,-.05,;5.52,.86,;4.27,-.05,;4.75,-1.51,;6.29,-1.51,;2.94,.72,;4.27,1.49,;2.94,2.26,;1.6,-.05,;.27,-.82,;-1.06,-1.59,;-1.06,-3.13,;-2.4,-3.9,;-3.73,-3.13,;-4.93,-4.09,;-6.44,-3.75,;-7.1,-2.36,;-5.49,-2.59,;-6.44,-.97,;-7.22,.35,;-6.21,1.51,;-4.8,.91,;-4.93,-.63,;-3.73,-1.59,;-2.4,-.82,;-6.61,3,;-5.52,4.09,;-8.1,3.4,)|

BDBM159150

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159196

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OCCc3cc(nn3-c2c1)C(N)=O |r|

BDBM158989

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@H](F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159141

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@H](O)c3sc(nc3-c2c1)C(N)=O |r|

BDBM158994

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@](C)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159152

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@@](C)(O)c3sc(nc3-c2c1)C(N)=O |r|

BDBM158991

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@H](F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159142

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@H](O)c3sc(nc3-c2c1)C(N)=O |r|

BDBM158993

Cc1nc(no1)[C@](C)(O)C#Cc1ccc2OC[C@](C)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM158938

Cc1nc(no1)[C@](O)(CF)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r|

BDBM527662

Cc1nc2CCOCc2cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM50429627

Cc1nc2c(C)cccn2c1-c1ccnc(N)n1

BDBM50429628

Cc1nc2cc(C)ccn2c1-c1ccnc(N)n1

BDBM50429629

Cc1nc2ccc(C)cn2c1-c1ccnc(N)n1

BDBM50429640

Cc1nc2ccc(Cl)cc2n1-c1ccnc(N)n1

BDBM50429613

Cc1nc2ccc(Cl)cn2c1-c1ccnc(N)n1

BDBM158901

Cc1nc2ccccc2n1Cc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM7641

Cc1nc2ccccn2c1-c1ccnc(N)n1

BDBM681598

Cc1ncc(s1)[C@@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681599

Cc1ncc(s1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM158544

Cc1ncccc1C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158899

Cc1nccn1Cc1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM158695

Cc1ncsc1C(O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM681603

Cc1ncsc1[C@@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681604

Cc1ncsc1[C@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM158694

Cc1nn(C)cc1C(O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM523481

Cc1nn(C)cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM523490

Cc1nn(C)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523642

Cc1nn(CC(F)F)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523586

Cc1nn(CC2CCOCC2)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM523585

Cc1nn(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C1CCOCC1 |r|

BDBM523652

Cc1nnc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)o1

BDBM158553

Cc1nnc([nH]1)C(C)(CO)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O

BDBM158792

Cc1nnc(o1)C(C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O

BDBM158969

Cc1nnc(o1)[C@@](C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159099

Cc1nnc(o1)[C@@](C)(O)C#Cc1ccc2OC[C@@](C)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159042

Cc1nnc(o1)[C@@](C)(O)C#Cc1ccc2OC[C@](C)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM681519

Cc1nnc(o1)[C@](C)(O)C#Cc1ccc(C)c(c1)-c1ccc2ccnc(N)c2c1 |r|

BDBM681515

Cc1nnc(o1)[C@](C)(O)C#Cc1ccc(C)c(c1)-c1ncc2ccnc(N)c2n1 |r|

BDBM158982

Cc1nnc(o1)[C@](C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159033

Cc1nnc(o1)[C@](C)(O)C#Cc1ccc2OC[C@@](C)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM159041

Cc1nnc(o1)[C@](C)(O)C#Cc1ccc2OC[C@](C)(F)c3sc(nc3-c2c1)C(N)=O |r|

BDBM681529

Cc1nnc(o1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2ccnc(N)c2n1 |r|

BDBM681654

Cc1nnc(o1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2nc(C)nc(N)c2n1 |r|

BDBM681547

Cc1nnc(o1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2ncnc(N)c2c1 |r|

BDBM681538

Cc1nnc(o1)[C@](C)(O)C#Cc1cccc(c1)-c1ccc2ncnc(N)c2n1 |r|

BDBM681459

Cc1nnc(o1)[C@](C)(O)C#Cc1cccc(c1)-c1ncc2ccnc(N)c2n1 |r|

BDBM552899

Cc1noc2c1CC[C@@]2(O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM523656

Cc1nscc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM50323000

Clc1cc(Cl)c2c(c1)[nH]c(=O)[nH]c2=O

BDBM158807

Cn1c(nc-2c1C1CC(C1)c1cc(F)c(cc-21)C#CC(C)(C)O)C(N)=O |(-6.49,.75,;-5,.35,;-3.99,1.51,;-2.58,.91,;-2.71,-.63,;-4.22,-.97,;-4.88,-2.36,;-4.22,-3.75,;-2.71,-4.09,;-3.38,-2.69,;-1.51,-3.13,;-.18,-3.9,;1.16,-3.13,;2.49,-3.9,;1.16,-1.59,;-.18,-.82,;-1.51,-1.59,;2.49,-.82,;3.82,-.05,;5.16,.72,;4.39,2.06,;5.93,2.06,;6.49,-.05,;-4.39,3,;-3.3,4.09,;-5.88,3.4,)|

BDBM158808

Cn1c(nc-2c1C1CC(C1)c1cc(F)c(cc-21)C#C[C@@](C)(O)c1ncccn1)C(N)=O |r,wU:19.23,wD:19.24,(-6.49,.12,;-5,-.28,;-3.99,.88,;-2.58,.28,;-2.71,-1.25,;-4.22,-1.6,;-4.88,-2.98,;-4.22,-4.37,;-2.71,-4.72,;-3.38,-3.31,;-1.51,-3.75,;-.18,-4.52,;1.16,-3.75,;2.49,-4.52,;1.16,-2.21,;-.18,-1.44,;-1.51,-2.21,;2.49,-1.44,;3.82,-.67,;5.16,.1,;5.93,-1.24,;6.49,-.67,;5.16,1.64,;6.49,2.41,;6.49,3.95,;5.16,4.72,;3.82,3.95,;3.82,2.41,;-4.39,2.37,;-3.3,3.46,;-5.88,2.77,)|

BDBM158950

Cn1c(nc-2c1C1CC(C1)c1ccc(cc-21)C#CC(C)(C)O)C(N)=O |(-6.49,.75,;-5,.35,;-3.99,1.51,;-2.58,.91,;-2.71,-.63,;-4.22,-.97,;-4.88,-2.36,;-4.22,-3.75,;-2.71,-4.09,;-3.33,-2.65,;-1.51,-3.13,;-.18,-3.9,;1.16,-3.13,;1.16,-1.59,;-.18,-.82,;-1.51,-1.59,;2.49,-.82,;3.82,-.05,;5.16,.72,;4.39,2.06,;5.93,2.06,;6.49,-.05,;-4.39,3,;-3.3,4.09,;-5.88,3.4,)|

BDBM158952

Cn1c(nc-2c1C1CC(C1)c1ccc(cc-21)C#C[C@@](C)(O)c1ncccn1)C(N)=O |r,wU:18.22,wD:18.23,(-6.49,.12,;-5,-.28,;-3.99,.88,;-2.58,.28,;-2.71,-1.25,;-4.22,-1.6,;-4.88,-2.98,;-4.22,-4.37,;-2.71,-4.72,;-3.33,-3.28,;-1.51,-3.75,;-.18,-4.52,;1.16,-3.75,;1.16,-2.21,;-.18,-1.44,;-1.51,-2.21,;2.49,-1.44,;3.82,-.67,;5.16,.1,;5.93,-1.24,;6.49,-.67,;5.16,1.64,;6.49,2.41,;6.49,3.95,;5.16,4.72,;3.82,3.95,;3.82,2.41,;-4.39,2.37,;-3.3,3.46,;-5.88,2.77,)|

BDBM527670

Cn1c2CCOCc2cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1=O |r|

BDBM523543

Cn1cc(Cl)c(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM523365

Cn1cc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cn1

BDBM523601

Cn1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(CN2CCCC2=O)n1 |r|

BDBM523660

Cn1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(CN2CCOCC2)n1 |r|

BDBM523712

Cn1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(OCCN2CCOCC2)n1 |r|

BDBM523575

Cn1cc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c(n1)C(F)(F)F |r|

BDBM158631

Cn1cc(cn1)-c1c(nc2-c3cc(ccc3OCCn12)C#CC(C)(C)O)C(N)=O

BDBM50574091

Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(Cl)c1

BDBM158690

Cn1cc(cn1)C(O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158691

Cn1cc(cn1)[C@@H](O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O |r|

BDBM158692

Cn1cc(cn1)[C@H](O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O |r|

BDBM523653

Cn1ccc(Nc2ncc(F)c(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM523654

Cn1ccc(Nc2ncc(F)c(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523273

Cn1ccc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM523732

Cn1ccc(Nc2nccc(n2)-c2cc3c(NC[C@@]3(C)CN)c(c2)C#N)n1 |r|

BDBM523686

Cn1ccc(Nc2nccc(n2)-c2cc3c(NC[C@@]3(C)CN3CCN(CC3)C3CC3)c(c2)C#N)n1 |r|

BDBM523545

Cn1ccc(Nc2nccc(n2)-c2cc3c(NC[C@@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523731

Cn1ccc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CN)c(c2)C#N)n1 |r|

BDBM523685

Cn1ccc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CN3CCN(CC3)C3CC3)c(c2)C#N)n1 |r|

BDBM523530

Cn1ccc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)n1 |r|

BDBM523725

Cn1ccc(Nc2ncnc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)n1

BDBM158571

Cn1ccnc1C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM552852

Cn1ccnc1[C@@](C)(O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM158644

Cn1cnc(c1)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O

BDBM158661

Cn1cnc(c1)C(C)(O)C#Cc1cc2-c3nc(sc3CCOc2cc1F)C(N)=O

BDBM50429619

Cn1cncc1C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1

BDBM158803

Cn1cncc1C(O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-7.88,-.46,;-7.11,-1.8,;-7.59,-3.26,;-6.34,-4.17,;-5.09,-3.26,;-5.57,-1.8,;-4.8,-.46,;-5.89,.62,;-3.31,-.07,;-2.58,1.29,;-1.07,1.01,;-.86,-.51,;.53,-1.18,;1.65,-.13,;3.13,-.59,;4.22,.5,;5.3,1.59,;6.39,2.68,;5.99,4.17,;7.48,3.77,;7.88,2.28,;3.47,-2.09,;4.96,-2.49,;2.34,-3.13,;.87,-2.68,;-.09,-3.88,;-1.63,-3.88,;-2.59,-2.68,;-1.41,-2.68,;-2.25,-1.18,;-3.35,2.62,;-4.89,2.62,;-2.58,3.96,)|

BDBM158805

Cn1cncc1C(O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-7.88,-.97,;-7.11,-2.3,;-7.59,-3.77,;-6.34,-4.67,;-5.09,-3.77,;-5.57,-2.3,;-4.8,-.97,;-5.89,.12,;-3.31,-.57,;-2.58,.79,;-1.07,.51,;-.86,-1.01,;.53,-1.68,;1.65,-.63,;3.13,-1.09,;4.22,0,;5.3,1.09,;6.39,2.18,;7.88,1.78,;4.93,2.65,;4.93,4.19,;6.39,4.67,;7.3,3.42,;3.47,-2.59,;4.96,-2.99,;2.34,-3.64,;.87,-3.18,;-.09,-4.39,;-1.63,-4.39,;-2.59,-3.18,;-1.41,-3.18,;-2.25,-1.68,;-3.35,2.12,;-4.89,2.12,;-2.58,3.46,)|

BDBM523552

Cn1nc(Cl)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N |r|

BDBM527689

Cn1nc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)c2CCCc12

BDBM523533

Cn1nc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cc1C(=O)N1CCC(F)(F)CC1

BDBM523561

Cn1nc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cc1C(=O)NC1CCOCC1

BDBM523537

Cn1nc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cc1C1(C)COC1

BDBM523540

Cn1nc(Nc2nccc(n2)-c2cc3c(NCC3(C)CO)c(c2)C#N)cc1C1CC1

BDBM523550

Cn1nc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cc1CN1CCOCC1 |r|

BDBM523554

Cn1nc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)cc1Cl |r|

BDBM523539

Cn1nc(cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N)C(=O)N1CCC(F)(F)CC1

BDBM523536

Cn1nc(cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N)C(=O)NC1CCOCC1

BDBM523420

Cn1nc(cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N)C1(C)COC1

BDBM523441

Cn1nc(cc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N)C1CCCCC1

BDBM523578

Cn1nc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C1CCOCC1 |r|

BDBM158652

Cn1nc(nc1-c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O)-c1ccncc1 |(-3.61,-2.38,;-4.38,-1.04,;-5.84,-.57,;-5.84,.97,;-4.38,1.45,;-3.47,.2,;-1.99,-.2,;-.97,.96,;.44,.36,;.3,-1.18,;1.51,-2.14,;2.84,-1.37,;4.18,-2.14,;5.51,-1.37,;6.84,-.6,;8.18,.17,;8.18,1.71,;9.51,.94,;9.51,-.6,;4.18,-3.68,;5.51,-4.45,;2.84,-4.45,;1.51,-3.68,;.3,-4.64,;-1.2,-4.29,;-1.87,-2.91,;-1.2,-1.52,;-1.37,2.45,;-2.86,2.85,;-.28,3.54,;-6.93,2.06,;-6.54,3.55,;-7.62,4.64,;-9.11,4.24,;-9.51,2.75,;-8.42,1.66,)|

BDBM527688

Cn1nc2CCCc2c1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM523700

Cn1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1C(=O)N1CCCC1 |r|

BDBM523701

Cn1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1OC1CC1 |r|

BDBM523702

Cn1ncc(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1OC1COC1 |r|

BDBM158745

Cn1nccc1C(O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.19,1,;-7.42,-.34,;-7.9,-1.8,;-6.65,-2.71,;-5.41,-1.8,;-5.88,-.34,;-4.79,.75,;-5.19,2.24,;-3.31,.35,;-2.29,1.51,;-.88,.91,;-1.01,-.63,;.19,-1.59,;1.52,-.82,;2.86,-1.59,;4.19,-.82,;5.52,-.05,;6.86,.72,;6.86,2.26,;8.19,1.49,;8.19,-.05,;2.86,-3.13,;4.19,-3.9,;1.52,-3.9,;.19,-3.13,;-1.01,-4.09,;-2.52,-3.75,;-3.18,-2.36,;-1.57,-2.67,;-2.52,-.97,;-2.69,3,;-4.18,3.4,;-1.6,4.09,)|

BDBM158709

Cn1nccc1C(O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158829

Cn1nccc1C(O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.53,1,;-7.76,-.34,;-8.24,-1.8,;-6.99,-2.71,;-5.75,-1.8,;-6.22,-.34,;-5.13,.75,;-5.53,2.24,;-3.65,.35,;-2.63,1.51,;-1.22,.91,;-1.36,-.63,;-.15,-1.59,;1.18,-.82,;2.52,-1.59,;3.85,-.82,;5.18,-.05,;6.52,.72,;7.29,-.61,;8.06,.72,;8.53,2.19,;7.29,3.09,;6.04,2.19,;2.52,-3.13,;3.85,-3.9,;1.18,-3.9,;-.15,-3.13,;-1.36,-4.09,;-2.86,-3.75,;-3.52,-2.36,;-1.96,-2.57,;-2.86,-.97,;-3.03,3,;-4.52,3.4,;-1.94,4.09,)|

BDBM158784

Cn1nccc1C(O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)O)C(N)=O |(-7.7,-.54,;-6.93,-1.88,;-7.4,-3.34,;-6.16,-4.25,;-4.91,-3.34,;-5.39,-1.88,;-4.99,-.39,;-6.08,.7,;-3.5,.01,;-2.77,1.37,;-1.25,1.09,;-1.05,-.43,;.34,-1.1,;1.47,-.06,;2.94,-.51,;3.28,-2.01,;2.15,-3.06,;.68,-2.6,;-.28,-3.81,;-1.82,-3.81,;-2.78,-2.6,;-1.6,-2.6,;-2.43,-1.1,;4.03,.58,;5.12,1.67,;6.21,2.76,;5.81,4.25,;7.3,3.85,;7.7,2.36,;-3.54,2.7,;-5.08,2.7,;-2.77,4.03,)|

BDBM158880

Cn1nccc1C(O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@@](C)(O)c1ncccn1)C(N)=O |r,wU:25.30,wD:25.31,(-8.19,.45,;-7.42,-.89,;-7.9,-2.35,;-6.65,-3.26,;-5.41,-2.35,;-5.88,-.89,;-4.79,.2,;-5.19,1.69,;-3.31,-.2,;-2.29,.96,;-.88,.36,;-1.01,-1.18,;.19,-2.14,;1.52,-1.37,;2.86,-2.14,;2.86,-3.68,;1.52,-4.45,;.19,-3.68,;-1.01,-4.64,;-2.52,-4.29,;-3.18,-2.91,;-1.62,-3.08,;-2.52,-1.52,;4.19,-1.37,;5.52,-.6,;6.86,.17,;7.63,1.51,;8.19,-.6,;6.46,1.66,;7.55,2.75,;7.15,4.24,;5.66,4.64,;4.57,3.55,;4.97,2.06,;-2.69,2.45,;-4.18,2.85,;-1.6,3.54,)|

BDBM158771

Cn1nccc1Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.19,1,;-7.42,-.34,;-7.9,-1.8,;-6.65,-2.71,;-5.41,-1.8,;-5.88,-.34,;-4.79,.75,;-3.31,.35,;-2.29,1.51,;-.88,.91,;-1.01,-.63,;.19,-1.59,;1.52,-.82,;2.86,-1.59,;4.19,-.82,;5.52,-.05,;6.86,.72,;6.86,2.26,;8.19,1.49,;8.19,-.05,;2.86,-3.13,;4.19,-3.9,;1.52,-3.9,;.19,-3.13,;-1.01,-4.09,;-2.52,-3.75,;-3.18,-2.36,;-1.99,-2.6,;-2.52,-.97,;-2.69,3,;-4.18,3.4,;-1.6,4.09,)|

BDBM158795

Cn1nccc1Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O

BDBM158786

Cn1nccc1Cc1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)O)C(N)=O |(-7.7,-.54,;-6.93,-1.88,;-7.4,-3.34,;-6.16,-4.25,;-4.91,-3.34,;-5.39,-1.88,;-4.99,-.39,;-3.5,.01,;-2.77,1.37,;-1.25,1.09,;-1.05,-.43,;.34,-1.1,;1.47,-.06,;2.94,-.51,;3.28,-2.01,;2.15,-3.06,;.68,-2.6,;-.28,-3.81,;-1.82,-3.81,;-2.78,-2.6,;-1.6,-2.6,;-2.43,-1.1,;4.03,.58,;5.12,1.67,;6.21,2.76,;5.81,4.25,;7.3,3.85,;7.7,2.36,;-3.54,2.7,;-5.08,2.7,;-2.77,4.03,)|

BDBM158903

Cn1nccc1Cc1c(nc2-c3cc(ccc3C3CC(C3)n12)C#C[C@@](C)(O)c1ncccn1)C(N)=O |r,wU:24.29,wD:24.30,(-8.19,.45,;-7.42,-.89,;-7.9,-2.35,;-6.65,-3.26,;-5.41,-2.35,;-5.88,-.89,;-4.79,.2,;-3.31,-.2,;-2.29,.96,;-.88,.36,;-1.01,-1.18,;.19,-2.14,;1.52,-1.37,;2.86,-2.14,;2.86,-3.68,;1.52,-4.45,;.19,-3.68,;-1.01,-4.64,;-2.52,-4.29,;-3.18,-2.91,;-1.63,-3.2,;-2.52,-1.52,;4.19,-1.37,;5.52,-.6,;6.86,.17,;7.63,1.51,;8.19,-.6,;6.46,1.66,;7.55,2.75,;7.15,4.24,;5.66,4.64,;4.57,3.55,;4.97,2.06,;-2.69,2.45,;-4.18,2.85,;-1.6,3.54,)|

BDBM158916

Cn1nccc1Cn1c(nc-2c1C1CC(C1)c1cc(F)c(cc-21)C#CC(C)(C)O)C(N)=O |(-8.19,1,;-7.42,-.34,;-7.9,-1.8,;-6.65,-2.71,;-5.41,-1.8,;-5.88,-.34,;-4.79,.75,;-3.31,.35,;-2.29,1.51,;-.88,.91,;-1.01,-.63,;-2.52,-.97,;-3.18,-2.36,;-2.52,-3.75,;-1.01,-4.09,;-1.63,-2.65,;.19,-3.13,;1.52,-3.9,;2.86,-3.13,;4.19,-3.9,;2.86,-1.59,;1.52,-.82,;.19,-1.59,;4.19,-.82,;5.52,-.05,;6.86,.72,;7.63,2.06,;6.09,2.06,;8.19,-.05,;-2.69,3,;-1.6,4.09,;-4.18,3.4,)|

BDBM523338

Cn1nccc1Nc1nccc(n1)-c1cc2c(NCC2(C)CO)c(c1)C#N

BDBM159217

NC(=O)c1cc2CCOc3ccc(cc3-n2n1)C#CC1(O)CCCC1F

BDBM159218

NC(=O)c1cc2CCOc3ccc(cc3-n2n1)C#CC1(O)CCCC1O

BDBM159096

NC(=O)c1cc2n(n1)-c1cc(ccc1OCC2(F)F)C#C[C@]1(O)CCNC1=O |r|

BDBM159238

NC(=O)c1cc2n(n1)-c1cc(ccc1OCC21COC1)C#CC1(O)CCCC1

BDBM50266977

NC(=O)c1ccc2OCCc3ccsc3-c2n1

BDBM50266978

NC(=O)c1cccn1Cc1ccccc1Cl

BDBM158889

NC(=O)c1cn2C3CC(C3)c3cc(F)c(cc3-c2n1)C#CC1(O)CCC1 |(-3.88,4.09,;-4.97,3,;-6.46,3.4,;-4.58,1.51,;-5.59,.35,;-4.8,-.97,;-5.47,-2.36,;-4.8,-3.75,;-3.3,-4.09,;-3.85,-2.36,;-2.09,-3.13,;-.76,-3.9,;.57,-3.13,;1.91,-3.9,;.57,-1.59,;-.76,-.82,;-2.09,-1.59,;-3.3,-.63,;-3.16,.91,;1.91,-.82,;3.24,-.05,;4.58,.72,;3.24,1.49,;6.06,.32,;6.46,1.81,;4.97,2.21,)|

BDBM158894

NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1(O)CCC1 |(-3.88,4.09,;-4.97,3,;-6.46,3.4,;-4.58,1.51,;-5.59,.35,;-4.8,-.97,;-5.47,-2.36,;-4.8,-3.75,;-3.3,-4.09,;-3.85,-2.36,;-2.09,-3.13,;-.76,-3.9,;.57,-3.13,;.57,-1.59,;-.76,-.82,;-2.09,-1.59,;-3.3,-.63,;-3.16,.91,;1.91,-.82,;3.24,-.05,;4.58,.72,;3.24,1.49,;6.06,.32,;6.46,1.81,;4.97,2.21,)|

BDBM158562

NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1(O)CCCC1 |(4.13,-4.09,;5.22,-3,;6.7,-3.4,;4.82,-1.51,;5.83,-.35,;5.04,.97,;5.71,2.36,;5.04,3.75,;3.54,4.09,;4.15,2.65,;2.34,3.13,;1,3.9,;-.33,3.13,;-.33,1.59,;1,.82,;2.34,1.59,;3.54,.63,;3.4,-.91,;-1.67,.82,;-3,.05,;-4.33,-.72,;-4.33,.82,;-5.8,-.25,;-6.7,-1.49,;-5.8,-2.74,;-4.33,-2.26,)|

BDBM50502743

NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1CCCC1 |(31.97,-3.51,;31.08,-4.77,;29.55,-4.63,;31.73,-6.17,;30.98,-7.5,;32.02,-8.62,;31.66,-10.13,;32.61,-11.35,;34.15,-11.36,;33.3,-9.91,;35.12,-10.17,;36.59,-10.62,;37.72,-9.58,;37.38,-8.07,;35.91,-7.62,;34.79,-8.67,;33.41,-7.98,;33.23,-6.46,;38.5,-7.02,;39.63,-5.97,;40.76,-4.91,;42.27,-5.21,;43.02,-3.86,;41.96,-2.73,;40.56,-3.39,)|

BDBM158935

NC(=O)c1cn2CC(CO)Oc3ccc(cc3-c2n1)C#CC1(O)CCCC1

BDBM158640

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC(O)(CF)CF

BDBM158601

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CC(CO)C1 |(7.86,3.4,;6.37,3,;5.28,4.09,;5.97,1.51,;6.99,.35,;6.2,-.97,;6.86,-2.36,;6.2,-3.75,;4.69,-4.09,;3.49,-3.13,;2.16,-3.9,;.82,-3.13,;-.51,-3.9,;.82,-1.59,;2.16,-.82,;3.49,-1.59,;4.69,-.63,;4.56,.91,;-.51,-.82,;-1.84,-.05,;-3.18,.72,;-2.41,2.06,;-4.51,1.49,;-5.28,.16,;-6.77,-.24,;-7.86,.85,;-3.95,-.61,)|

BDBM158588

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CC(O)C1 |(7.31,3.4,;5.83,3,;4.74,4.09,;5.43,1.51,;6.44,.35,;5.65,-.97,;6.32,-2.36,;5.65,-3.75,;4.15,-4.09,;2.95,-3.13,;1.61,-3.9,;.28,-3.13,;-1.06,-3.9,;.28,-1.59,;1.61,-.82,;2.95,-1.59,;4.15,-.63,;4.01,.91,;-1.06,-.82,;-2.39,-.05,;-3.72,.72,;-2.95,2.06,;-5.06,1.49,;-5.83,.16,;-7.31,-.24,;-4.49,-.61,)|

BDBM158542

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCC1

BDBM158717

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCNC1=O

BDBM158572

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCOC1

BDBM158712

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCc2cccnc12

BDBM158583

NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)COC1

BDBM158556

NC(=O)c1cn2CCOc3ccc(cc3-c2n1)C#CC1(O)CC2CCC(C1)N2 |TLB:20:19:23.24:27,THB:18:19:23.24:27|

BDBM158526

NC(=O)c1cn2CCOc3ccc(cc3-c2n1)C#CC1(O)CCCC1

BDBM158554

NC(=O)c1cn2CCOc3ccc(cc3-c2n1)C#CC1(O)CCNC1

BDBM158677

NC(=O)c1cn2CCOc3ccc(cc3-c2n1)C#CC1(O)CCc2cccnc12

BDBM158934

NC(=O)c1cn2C[C@@H](CO)Oc3ccc(cc3-c2n1)C#CC1(O)CCCC1 |r|

BDBM158641

NC(=O)c1nc-2c(CCOc3cc(F)c(cc-23)C#CC(O)(CF)CF)s1

BDBM158565

NC(=O)c1nc-2c(CCOc3cc(F)c(cc-23)C#CC2(O)CCCC2)s1

BDBM158529

NC(=O)c1nc-2c(CCOc3ccc(cc-23)C#CC2(O)CCCC2)s1

BDBM159165

NC(=O)c1nc-2c(s1)C(F)(F)COc1ccc(cc-21)C#C[C@]1(O)CCNC1=O |r|

BDBM159156

NC(=O)c1nc-2c(s1)[C@@H](O)COc1ccc(cc-21)C#CC1(O)CCCC1 |r|

BDBM159155

NC(=O)c1nc-2c(s1)[C@H](O)COc1ccc(cc-21)C#CC1(O)CCCC1 |r|

BDBM158835

NC(=O)c1nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n2c1C(O)c1ccn[nH]1 |(-4.67,3.4,;-3.18,3,;-2.09,4.09,;-2.78,1.51,;-1.36,.91,;-1.5,-.63,;-.3,-1.59,;1.04,-.82,;2.37,-1.59,;3.7,-.82,;5.04,-.05,;6.37,.72,;7.14,-.61,;7.91,.72,;8.39,2.19,;7.14,3.09,;5.89,2.19,;2.37,-3.13,;3.7,-3.9,;1.04,-3.9,;-.3,-3.13,;-1.5,-4.09,;-3,-3.75,;-3.67,-2.36,;-2.13,-2.36,;-3,-.97,;-3.79,.35,;-5.28,.75,;-5.68,2.24,;-6.37,-.34,;-5.89,-1.8,;-7.14,-2.71,;-8.39,-1.8,;-7.91,-.34,)|

BDBM158839

NC(=O)c1nc2-c3cc(C#CC4(O)CCNC4=O)c(F)cc3C3CC(C3)n2c1C1CC1 |(-3.08,4.09,;-4.16,3,;-5.65,3.4,;-3.77,1.51,;-2.35,.91,;-2.49,-.63,;-1.28,-1.59,;.05,-.82,;1.38,-1.59,;2.72,-.82,;4.05,-.05,;5.38,.72,;4.05,1.49,;6.29,1.97,;7.75,1.49,;7.75,-.05,;6.29,-.52,;5.52,-1.86,;1.38,-3.13,;2.72,-3.9,;.05,-3.9,;-1.28,-3.13,;-2.49,-4.09,;-3.99,-3.75,;-4.66,-2.36,;-3.1,-2.6,;-3.99,-.97,;-4.78,.35,;-6.27,.75,;-7.36,1.84,;-7.75,.35,)|

BDBM158862

NC(=O)c1nc2-c3cc(C#C[C@@]4(O)CCNC4=O)c(F)cc3C3CC(C3)n2c1C1CC1 |r,wU:11.11,wD:11.10,(-2.56,4.09,;-3.65,3,;-5.13,3.4,;-3.25,1.51,;-1.83,.91,;-1.97,-.63,;-.77,-1.59,;.57,-.82,;1.9,-1.59,;3.24,-.82,;4.57,-.05,;5.9,.72,;7.24,-.05,;7.15,1.63,;6.67,3.09,;5.13,3.09,;4.66,1.63,;3.32,.86,;1.9,-3.13,;3.24,-3.9,;.57,-3.9,;-.77,-3.13,;-1.97,-4.09,;-3.47,-3.75,;-4.14,-2.36,;-2.64,-2.69,;-3.47,-.97,;-4.26,.35,;-5.75,.75,;-6.84,1.84,;-7.24,.35,)|

BDBM158863

NC(=O)c1nc2-c3cc(C#C[C@]4(O)CCNC4=O)c(F)cc3C3CC(C3)n2c1C1CC1 |r,wU:11.10,wD:11.11,(-2.56,4.09,;-3.65,3,;-5.13,3.4,;-3.25,1.51,;-1.83,.91,;-1.97,-.63,;-.77,-1.59,;.57,-.82,;1.9,-1.59,;3.24,-.82,;4.57,-.05,;5.9,.72,;7.24,-.05,;7.15,1.63,;6.67,3.09,;5.13,3.09,;4.66,1.63,;3.32,.86,;1.9,-3.13,;3.24,-3.9,;.57,-3.9,;-.77,-3.13,;-1.97,-4.09,;-3.47,-3.75,;-4.14,-2.36,;-2.64,-2.69,;-3.47,-.97,;-4.26,.35,;-5.75,.75,;-6.84,1.84,;-7.24,.35,)|

BDBM50429621

Nc1ncc2CCCCc3[nH]c4ccc(Cl)cc4c3-c2n1

BDBM50429616

Nc1ncc2CCCc3[nH]c4ccc(Br)cc4c3-c2n1

BDBM50429624

Nc1ncc2CCCc3[nH]c4ccc(Cl)cc4c3-c2n1

BDBM50429620

Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)C#Cc1cccnc1

BDBM50429622

Nc1ncc2CCc3[nH]c4ccc(Cl)cc4c3-c2n1

BDBM50429623

Nc1ncc2CCc3c(Cl)ccc4[nH]cc(-c2n1)c34

BDBM50527732

Nc1ncc2[nH]cc(-c3cccc(c3)C#CC(O)c3nccs3)c2n1

BDBM50527774

Nc1ncc2[nH]cc(-c3cccc(c3)C#CC3(O)CCCC3)c2n1

BDBM50527775

Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCC3)c2n1

BDBM50527746

Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCC3)c2n1

BDBM50527747

Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCCC3)c2n1

BDBM50527776

Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCCCC3)c2n1

BDBM50527762

Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCNCC3)c2n1

BDBM50429637

Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12

BDBM50429632

Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12

BDBM50429630

Nc1nccc(n1)-c1c[nH]c2ccc(cc12)C#N

BDBM10844

Nc1nccc(n1)-c1c[nH]c2ccccc12

BDBM50429641

Nc1nccc(n1)-c1cnc2ccc(Br)cn12

BDBM50429635

Nc1nccc(n1)-n1ccc2ccc(Br)cc12

BDBM50429636

Nc1nccc(n1)-n1ccc2ccc(Cl)cc12

BDBM50429634

Nc1nccc(n1)-n1ccc2ccc(cc12)C#N

BDBM50601622

Nc1nccc(n1)-n1cnc2ccc(CCCCNC(=O)C=C)cc12

BDBM50601623

Nc1nccc(n1)-n1cnc2ccc(CCCNC(=O)C=C)cc12

BDBM50429639

Nc1nccc(n1)-n1cnc2ccc(Cl)cc12

BDBM50601626

Nc1nccc(n1)-n1cnc2ccc(cc12)C#C

BDBM50601624

Nc1nccc(n1)-n1cnc2ccc(cc12)C#CCNC(=O)C=C

BDBM50601627

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cc(C=C)ccn1

BDBM50601631

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cc(ccn1)C#C

BDBM50601636

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cc(ncn1)C#C

BDBM50601638

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccc(C=C)nc1

BDBM50601628

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cccc(n1)C#C

BDBM50601619

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccnc(C=C)c1

BDBM50601634

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccnc(C=C)n1

BDBM50601629

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccnc(c1)C#C

BDBM50601635

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccnc(n1)C#C

BDBM50601639

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cnc(nc1)C#C

BDBM50601630

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cncc(c1)C#C

BDBM50601637

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cncc(n1)C#C

BDBM50601640

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ncc(cn1)C#C

BDBM50601632

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1nccc(C=C)n1

BDBM50601633

Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1nccc(n1)C#C

BDBM50429633

Nc1nccc(n1)N1CCc2ccc(Br)cc12

BDBM681502

Nc1nccc2c(nc(nc12)-c1cccc(c1)C#CC1(O)CCc2cccnc12)C(F)(F)F

BDBM681532

Nc1nccc2ccc(nc12)-c1cccc(c1)C#C[C@@]1(O)CCn2ccnc12 |r|

BDBM681474

Nc1nccc2cnc(nc12)-c1cccc(c1)C#CC1(O)CCCC1

BDBM681513

Nc1nccc2cnc(nc12)-c1cccc(c1)C#CC1(O)CCN(CC(F)(F)F)C1=O

BDBM681458

Nc1nccc2cnc(nc12)-c1cccc(c1)C#CC1(O)CCn2ccnc12

BDBM681486

Nc1nccc2cnc(nc12)-c1cccc(c1)C#C[C@]1(O)CCc2cccnc12 |r|

BDBM681637

Nc1ncnc2ccc(nc12)-c1cccc(c1)C#CC1(O)CCN(CC=C)C1=O

BDBM681596

Nc1ncnc2cnc(nc12)-c1cccc(c1)C#C[C@@]1(O)CCc2cccnc12 |r|

BDBM681585

Nc1ncnc2cnc(nc12)-c1cccc(c1)C#C[C@]1(O)CCc2cccnc12 |r|

BDBM681587

Nc1ncnc2cnc(nc12)-c1cccc(c1)C#C[C@]1(O)CCn2ccnc12 |r|

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50322996

O=C1CC2CC(=O)NC(=O)C2C(=O)N1

BDBM50322995

O=C1Cc2ccccc2C(=O)N1

BDBM50322997

O=C1Cc2ccccc2CN1

BDBM50322998

O=C1NC(=O)c2ccccc2\C1=C/c1cccs1

BDBM50541613

OC1(CCCC1)C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1

BDBM50549076

OC1(CCCC1)C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1

BDBM50541614

OC1(CCCCC1)C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1

BDBM50549075

OC1(CCCCC1)C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1

BDBM552877

O[C@@H]1C[C@@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552874

O[C@@H]1C[C@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552863

O[C@@]1(C(=O)Nc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552807

O[C@@]1(C=Cc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r,c:2|

BDBM552804

O[C@@]1(CCC2=C1NCS2)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r,c:4|

BDBM552810

O[C@@]1(CCCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552816

O[C@@]1(CCN(CC(F)(F)F)C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM681488

O[C@@]1(CCc2cccnc12)C#Cc1cccc(c1)-c1ncc2cc[nH]c(=O)c2n1 |r|

BDBM552774

O[C@@]1(CCc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552779

O[C@@]1(CCc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncncc12 |r|

BDBM552831

O[C@@]1(CCc2scnc12)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2nccnc12

BDBM552815

O[C@@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552857

O[C@@]1(CCn2ccnc12)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2ncccc12

BDBM552795

O[C@@]1(Cc2cccnc2C1)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2ncccc12 |r|

BDBM552783

O[C@@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552786

O[C@@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552794

O[C@@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncncc12 |r|

BDBM552784

O[C@@]1(Cc2nccn2C1)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2ncccc12 |r|

BDBM552785

O[C@@]1(Cc2nccn2C1)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2nccnc12 |r|

BDBM552789

O[C@@]1(OCc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552790

O[C@@]1(OCc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552875

O[C@H]1C[C@@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552876

O[C@H]1C[C@](O)(c2ncccc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552862

O[C@]1(C(=O)Nc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552806

O[C@]1(C=Cc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r,c:2|

BDBM552811

O[C@]1(CCCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552817

O[C@]1(CCN(CC(F)(F)F)C1=O)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552775

O[C@]1(CCc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552778

O[C@]1(CCc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncncc12 |r|

BDBM552805

O[C@]1(CCc2scnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12 |r|

BDBM552832

O[C@]1(CCc2scnc12)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2nccnc12

BDBM552870

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(Cl)c(F)c12

BDBM552869

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(F)c(F)c12

BDBM552835

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552814

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552861

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nnccc12

BDBM552848

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1n[nH]c2cccnc12

BDBM552849

O[C@]1(CCn2ccnc12)c1cccc(c1)-c1csc(n1)-c1n[nH]c2nccnc12

BDBM552858

O[C@]1(COc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncccc12

BDBM552859

O[C@]1(COc2cccnc12)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12

BDBM552796

O[C@]1(Cc2cccnc2C1)c1cccc(c1)-c1nc(cs1)-c1c[nH]c2ncccc12 |r|

BDBM552803

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1coc(c1)-c1c[nH]c2ncccc12 |r|

BDBM552800

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(Cl)cc12 |r|

BDBM552797

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(F)cc12 |r|

BDBM552799

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(cc12)C#N |r|

BDBM552798

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncc(cc12)C(F)(F)F |r|

BDBM552802

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccc(F)c12 |r|

BDBM552787

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2nccnc12 |r|

BDBM552793

O[C@]1(Cc2nccn2C1)c1cccc(c1)-c1csc(n1)-c1c[nH]c2ncncc12 |r|

BDBM50457307

[2H]C([2H])(O)c1ccc(C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1 |r|

BDBM50502742

[H]C12CC([H])(C1)n1cc(nc1-c1cc(ccc21)C#C[C@](C)(O)c1cc(C)on1)C(N)=O |r,wD:19.23,(1.78,4.35,;3.05,3.48,;4.57,3.77,;4.85,2.25,;6.13,1.38,;3.34,1.97,;5.31,.78,;5.08,-.74,;4.21,-2.01,;2.87,-2.78,;1.34,-2.9,;-.1,-2.33,;-1.14,-1.2,;-1.6,.27,;-1.36,1.79,;-.5,3.06,;.84,3.83,;-3.13,.15,;-4.67,.04,;-6.2,-.07,;-7.74,-.19,;-6.32,1.46,;-6.09,-1.61,;-4.78,-2.42,;-5.15,-3.92,;-4.15,-5.09,;-6.68,-4.03,;-7.26,-2.6,;5.25,-3.14,;4.8,-4.61,;6.76,-2.8,)|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|