332 SMILES Strings for Protein-tyrosine kinase 6

Compound Name
SMILES String
CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23
Nc1c(c(nn1-c1c(Cl)cc(Cl)cc1Cl)-c1ccncc1)-c1ccc(F)cc1 |(-1,-2.52,;-1.47,-1.05,;-2.94,-.58,;-2.94,.96,;-1.47,1.44,;-.56,.19,;.98,.19,;1.74,1.52,;.97,2.85,;3.28,1.52,;4.06,.18,;5.6,.18,;3.29,-1.15,;1.75,-1.15,;.97,-2.48,;-4.18,1.87,;-4.2,3.41,;-5.54,4.16,;-6.87,3.37,;-6.84,1.82,;-5.5,1.08,;-4.18,-1.48,;-5.52,-.72,;-6.85,-1.5,;-6.84,-3.04,;-8.17,-3.82,;-5.49,-3.8,;-4.17,-3.02,)|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12
COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1
COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(C)(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(F)c3[nH]ncc23)c1=O |(5.75,-4.6,;4.27,-4.2,;3.18,-5.29,;4.67,-5.69,;3.87,-2.71,;2.4,-2.23,;1.07,-3,;-.26,-2.23,;-1.6,-3,;-2.93,-2.23,;-2.93,-.69,;-4.26,.08,;-5.6,-.69,;-5.6,-2.23,;-4.26,-3,;-4.26,-4.54,;-6.93,.08,;-8.27,.85,;-6.93,1.62,;-8.27,-.69,;-.26,-.69,;1.07,.08,;1.07,1.62,;2.4,-.69,;3.87,-.22,;4.27,1.27,;3.24,2.41,;3.71,3.88,;5.22,4.2,;5.62,5.69,;6.25,3.05,;7.79,3.05,;8.27,1.59,;7.02,.68,;5.77,1.59,;4.77,-1.46,;6.31,-1.46,)|
CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(Cl)c3[nH]ncc23)c1=O |(5.75,-4.8,;4.27,-4.4,;3.18,-5.49,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-6.93,1.42,;-8.27,-.89,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)|
CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2cc(F)c(F)c3[nH]ncc23)c1=O |(3.18,-5.49,;4.27,-4.4,;5.75,-4.8,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-8.27,-.89,;-6.93,1.42,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;2.62,4.77,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)|
CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(F)c3[nH]ncc23)c1=O |(3.18,-5.49,;4.27,-4.4,;5.75,-4.8,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-8.27,-.89,;-6.93,1.42,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)|
CC(C)n1c2nc(Nc3ccc(cc3F)C(C)=O)nc(N)c2n(-c2cccc3[nH]ncc23)c1=O |(3.18,-4.74,;4.27,-3.65,;5.75,-4.05,;3.87,-2.17,;2.4,-1.69,;1.07,-2.46,;-.26,-1.69,;-1.6,-2.46,;-2.93,-1.69,;-2.93,-.15,;-4.26,.62,;-5.6,-.15,;-5.6,-1.69,;-4.26,-2.46,;-4.26,-4,;-6.93,.62,;-8.27,-.15,;-6.93,2.16,;-.26,-.15,;1.07,.62,;1.07,2.16,;2.4,-.15,;3.87,.33,;4.27,1.81,;3.24,2.96,;3.71,4.42,;5.22,4.74,;6.25,3.6,;7.79,3.6,;8.27,2.13,;7.02,1.23,;5.77,2.13,;4.77,-.92,;6.31,-.92,)|
CS(=O)(=O)c1ccc(Nc2nc(N)c3n(-c4cccc5[nH]ncc45)c(=O)n(C4CCCC4)c3n2)c(F)c1 |(-8.27,2.41,;-6.93,1.64,;-8.27,.87,;-6.93,3.18,;-5.6,.87,;-4.26,1.64,;-2.93,.87,;-2.93,-.67,;-1.6,-1.44,;-.26,-.67,;-.26,.87,;1.07,1.64,;1.07,3.18,;2.4,.87,;3.87,1.35,;4.27,2.84,;3.24,3.98,;3.71,5.45,;5.22,5.77,;6.25,4.62,;7.79,4.62,;8.27,3.16,;7.02,2.25,;5.77,3.16,;4.77,.1,;6.31,.1,;3.87,-1.14,;4.27,-2.63,;5.73,-3.11,;5.73,-4.65,;4.27,-5.12,;3.36,-3.88,;2.4,-.67,;1.07,-1.44,;-4.26,-1.44,;-4.26,-2.98,;-5.6,-.67,)|
CS(=O)(=O)c1ccc(Nc2nc(N)c3n(-c4cccc5[nH]ncc45)c(=O)n(C4CCC4)c3n2)c(F)c1 |(6.39,5.62,;6.39,4.08,;4.85,4.08,;7.93,4.08,;6.39,2.54,;7.73,1.77,;7.73,.23,;6.39,-.54,;6.39,-2.08,;5.06,-2.85,;5.06,-4.39,;3.73,-5.16,;3.73,-6.7,;2.39,-4.39,;.93,-4.87,;.45,-6.33,;1.48,-7.48,;1.01,-8.94,;-.5,-9.26,;-1.53,-8.12,;-3.07,-8.12,;-3.55,-6.65,;-2.3,-5.75,;-1.05,-6.65,;.02,-3.62,;-1.52,-3.62,;.93,-2.37,;.45,-.91,;-.92,-.21,;-.22,1.16,;1.15,.46,;2.39,-2.85,;3.73,-2.08,;5.06,.23,;3.73,-.54,;5.06,1.77,)|
CC(C)(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2cccc3[nH]ncc23)c1=O |(-1.05,-.59,;.45,-.91,;1.48,.24,;1.96,-1.23,;.93,-2.37,;2.39,-2.85,;3.73,-2.08,;5.06,-2.85,;6.39,-2.08,;6.39,-.54,;7.73,.23,;7.73,1.77,;6.39,2.54,;5.06,1.77,;5.06,.23,;3.73,-.54,;6.39,4.08,;6.39,5.62,;4.85,4.08,;7.93,4.08,;5.06,-4.39,;3.73,-5.16,;3.73,-6.7,;2.39,-4.39,;.93,-4.87,;.45,-6.33,;1.48,-7.48,;1.01,-8.94,;-.5,-9.26,;-1.53,-8.12,;-3.07,-8.12,;-3.55,-6.65,;-2.3,-5.75,;-1.05,-6.65,;.02,-3.62,;-1.52,-3.62,)|
CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(C)c3[nH]ncc23)c1=O |(-1.05,-.59,;.45,-.91,;1.48,.24,;.93,-2.37,;2.39,-2.85,;3.73,-2.08,;5.06,-2.85,;6.39,-2.08,;6.39,-.54,;7.73,.23,;7.73,1.77,;6.39,2.54,;5.06,1.77,;5.06,.23,;3.73,-.54,;6.39,4.08,;6.39,5.62,;4.85,4.08,;7.93,4.08,;5.06,-4.39,;3.73,-5.16,;3.73,-6.7,;2.39,-4.39,;.93,-4.87,;.45,-6.33,;1.48,-7.48,;1.01,-8.94,;-.5,-9.26,;-.97,-10.72,;-1.53,-8.12,;-3.07,-8.12,;-3.55,-6.65,;-2.3,-5.75,;-1.05,-6.65,;.02,-3.62,;-1.52,-3.62,)|
CS(=O)(=O)c1ccc(Nc2nc(N)c3n(-c4cccc5[nH]ncc45)c(=O)n(C4CCC(F)(F)C4)c3n2)c(F)c1 |(-8.27,2.41,;-6.93,1.64,;-8.27,.87,;-6.93,3.18,;-5.6,.87,;-4.26,1.64,;-2.93,.87,;-2.93,-.67,;-1.6,-1.44,;-.26,-.67,;-.26,.87,;1.07,1.64,;1.07,3.18,;2.4,.87,;3.87,1.35,;4.27,2.84,;3.24,3.98,;3.71,5.45,;5.22,5.77,;6.25,4.62,;7.79,4.62,;8.27,3.16,;7.02,2.25,;5.77,3.16,;4.77,.1,;6.31,.1,;3.87,-1.14,;4.27,-2.63,;3.36,-3.88,;4.27,-5.12,;5.73,-4.65,;7.07,-3.88,;7.07,-5.42,;5.73,-3.11,;2.4,-.67,;1.07,-1.44,;-4.26,-1.44,;-4.26,-2.98,;-5.6,-.67,)|
COc1cc(ccc1Nc1nc(N)c2n(-c3ccc4cn[nH]c4c3)c(=O)n(C3CCOC3)c2n1)S(C)(=O)=O
CC(C)n1c2nc(Nc3ccc(c(F)c3F)S(C)(=O)=O)nc(N)c2n(-c2ccc3cn[nH]c3c2F)c1=O |(3.18,-5.29,;4.27,-4.2,;5.75,-4.6,;3.87,-2.71,;2.4,-2.23,;1.07,-3,;-.26,-2.23,;-1.6,-3,;-2.93,-2.23,;-2.93,-.69,;-4.26,.08,;-5.6,-.69,;-5.6,-2.23,;-6.93,-3,;-4.26,-3,;-4.26,-4.54,;-6.93,.08,;-8.27,.85,;-8.27,-.69,;-6.93,1.62,;-.26,-.69,;1.07,.08,;1.07,1.62,;2.4,-.69,;3.87,-.22,;4.27,1.27,;3.24,2.41,;3.71,3.88,;5.22,4.2,;5.99,5.53,;7.5,5.21,;7.66,3.68,;6.25,3.05,;5.77,1.59,;6.8,.44,;4.77,-1.46,;6.31,-1.46,)|
CC(C)n1c2nc(Nc3ccc(c(F)c3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(F)c3[nH]ncc23)c1=O |(3.18,-5.29,;4.27,-4.2,;5.75,-4.6,;3.87,-2.71,;2.4,-2.23,;1.07,-3,;-.26,-2.23,;-1.6,-3,;-2.93,-2.23,;-2.93,-.69,;-4.26,.08,;-5.6,-.69,;-5.6,-2.23,;-6.93,-3,;-4.26,-3,;-4.26,-4.54,;-6.93,.08,;-8.27,.85,;-8.27,-.69,;-6.93,1.62,;-.26,-.69,;1.07,.08,;1.07,1.62,;2.4,-.69,;3.87,-.22,;4.27,1.27,;3.24,2.41,;3.71,3.88,;5.22,4.2,;5.69,5.66,;6.25,3.05,;7.79,3.05,;8.27,1.59,;7.02,.68,;5.77,1.59,;4.77,-1.46,;6.31,-1.46,)|
Nc1nc(Nc2ccc(cc2F)C(=O)N2CCNCC2)nc2n(C3CCC(F)(F)C3)c(=O)n(-c3ccc(Cl)c(O)c3)c12
CC(C)n1c2nc(Nc3ccc4C(=O)N(C)Cc4c3)nc(N)c2n(-c2ccc3[nH]ccc3c2)c1=O
CC(C)n1c2nc(Nc3cn(C)nc3C)nc(N)c2n(-c2ccc3cc[nH]c3c2)c1=O
CC(C)n1c2nc(Nc3ccc(cc3F)C(=O)N(C)C)nc(N)c2n(-c2ccc3[nH]ccc3c2)c1=O
COc1cc(Nc2nc(N)c3n(-c4ccc5[nH]ccc5c4)c(=O)n(C(C)C)c3n2)ccc1C(=O)N(C)C
CC(C)n1c2nc(Nc3ccc(cc3F)C(=O)NCCN(C)C)nc(N)c2n(-c2ccc(Cl)c(O)c2)c1=O
CC(C)n1c2nc(Nc3ccc(cc3F)C(=O)N3C=CC(O)C=C3)nc(N)c2n(-c2ccc(Cl)c(O)c2)c1=O |c:19,23|
Nc1nc(Nc2ccc(cc2F)S(N)(=O)=O)nc2n(C3CCOC3)c(=O)n(-c3ccc4[nH]ccc4c3)c12
CC(C)n1nc(-c2ccc3[nH]ccc3c2)c2c(N)nc(Nc3cn(C)nc3C)nc12
CC(C)n1nc(-c2ccc(F)c3[nH]ncc23)c2c(N)nc(Nc3cn(C)nc3C)nc12
CC(C)n1nc(-c2ccc(Cl)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12
CC(C)n1nc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12
CC(C)n1nc(-c2ccc(F)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12
Cc1nn(C)cc1Nc1nc(N)c2c(nn(CC(F)(F)F)c2n1)-c1ccc2occc2c1
Cc1nn(C)cc1Nc1nc(N)c2c(nn(C3CCC3)c2n1)-c1ccc2cc[nH]c2c1
CN(C)S(=O)(=O)c1ccc(Nc2nc(N)c3c(nn(C4CCCC4)c3n2)-c2cccc(O)c2)c(F)c1
CC(C)n1cc(-c2ccc(C#N)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12
CC(C)n1cc(-c2ccc(cc2)C#N)c2c(N)nc(Nc3ccc(cc3F)C(=O)N3CCNCC3)nc12
CC(C)n1cc(-c2c[nH]c3ncccc23)c2c(N)nc(Nc3cn(C)nc3C)nc12
COc1nn(C)cc1Nc1nc(N)c2c(cn(C(C)C)c2n1)-c1ccc2occc2c1
CC(C)n1nc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3cc(F)c(C)cc3F)nc12
Cc1nn(CC(C)(C)O)cc1Nc1nc(N)c2c(cn(C3COC3)c2n1)-c1cccc2[nH]ncc12
CC(C)c1cc(-c2cccc(O)c2)c2c(N)nc(Nc3ccc(cc3F)C(=O)N(C)C)nn12
CC(C)c1cc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)C(=O)N(C)C)nn12
[O-][N+](=O)c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
COc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br
Clc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
C(Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1)c1ccccc1
C1C=CCc2cc(Nc3ccnc4[nH]c5ccccc5c34)ccc12 |c:1|
Clc1cc(Cl)cc(Nc2ccnc3[nH]c4ccccc4c23)c1
FC(F)(F)c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Clc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1OCc1ccccc1
Fc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1Cl
Cc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1Cl
CCOc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br
CCOc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
COc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
COc1cc(I)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
COc1cc(Cl)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Oc1ccc(Cl)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
COc1cc(Br)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
COc1ccc(Br)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Oc1ccccc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Oc1ccc(Br)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3scnc3c2)c1O
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]cnc3c2)c1O
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]ccc3c2)c1O
COc1cc(Br)c(Br)c(\C=N\c2ccc3scnc3c2)c1O
COc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]cnc3c2)c1O
COc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]ccc3c2)c1O
CCOc1cc(Br)c(Br)c(CNc2ccc3[nH]c(=O)[nH]c3c2)c1O
COc1cc(Br)c(Br)c(CNc2ccc3[nH]c(=O)[nH]c3c2)c1O
CCOc1cc(Cl)c(Cl)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
COc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Oc1c(Br)cc(Br)c(Br)c1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
Oc1ccc(cc1O)C(=O)C(=C\c1c[nH]c2ccccc12)\C#N
COc1ccc(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Oc1cccc(Br)c1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
COc1ccc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1
Oc1ccc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1
Oc1c(Br)cc(Br)cc1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
CCOc1cc(Cl)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
CCOc1cccc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
CCOc1cc(Br)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
COc1cccc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
COc1cc(Br)cc(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1OC
O=c1[nH]c2ccc(cc2[nH]1)\N=C\c1ccccc1
c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNCC1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
CN1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl
Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCOCC1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cnn(C)c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1)-c1cn[nH]c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl
CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl
Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1
CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1
Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1
Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2 |r|
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)c(Cl)c2)n1)-c1cn[nH]c1
Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC1
COc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)ccc1C(=O)N1CCNCC1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1
Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNC2(CC2)C1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(c2)C(F)(F)F)n1)-c1cn[nH]c1
CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(c2)C2CC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC33CC3)c(Cl)c2)n1)-c1cn[nH]c1
Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@H]2CC[C@@H]1CN2 |r|
Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2(C)C)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r|
CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl
Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCOCC1
Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC4(CC4)C3)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccnc(c2)N2CCNCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCN(CCO)CC3)c(Cl)c2)n1)-c1cn[nH]c1
COC1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(F)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(cc2)C(=O)N2CCNCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cncc(c2)N2CCNCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1)-c1cn[nH]c1
CCc1nc2c(Nc3ccc(C(=O)N4CCNCC4)c(Cl)c3)nc(C)cn2c1-c1cn[nH]c1
Cc1cn2c(-c3cn[nH]c3)c(nc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)C1CC1
CC(C)c1nc2c(Nc3ccc(C(=O)N4CCNCC4)c(Cl)c3)nc(C)cn2c1-c1cn[nH]c1
CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r|
CN(C)C(=O)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1ccsc1
Clc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1
Cc1cn2c(cnc2c(Nc2ccc(cc2Cl)C(=O)N2CCNCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCOCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(O)=O)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cl)cc(c2)C(=O)N2CCNCC2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)n1)-c1cn[nH]c1
Clc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCOCC1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cccs1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cccnc1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1ccncc1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCOCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1
Clc1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)ccc1C(=O)N1CCNCC1
CC(C)c1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(nc2)N2CCOCC2)n1)-c1cn[nH]c1
Cc1cc(Nc2nc(Sc3ccccc3Cl)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(N[C@H]2CC[C@@H](CC2)C(=O)N2CCNCC2)n1)-c1cn[nH]c1 |r,wU:10.10,wD:13.17,(16.74,2.28,;18.07,1.51,;19.4,2.28,;20.74,1.52,;22.21,2,;23.12,.74,;22.21,-.51,;20.74,-.04,;19.41,-.81,;19.41,-2.35,;20.74,-3.12,;22.06,-2.34,;23.39,-3.1,;23.4,-4.65,;22.06,-5.42,;20.73,-4.65,;24.73,-5.42,;24.74,-6.96,;26.07,-4.65,;27.39,-5.42,;28.72,-4.65,;28.73,-3.11,;27.39,-2.34,;26.05,-3.11,;18.07,-.04,;22.68,3.45,;21.78,4.7,;22.68,5.94,;24.15,5.47,;24.15,3.93,)|
Cc1nc2c(Nc3ccc(C(=O)N4CCNCC4)c(Cl)c3)nc(C)cn2c1-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cncnc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|
CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2OC(C)(C)[C@H](CC[C@@]12C)OC(=O)c1ccc(Cl)c(Cl)c1 |r,t:1|
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1ccccc1\C=C\c1nc2ccccc2c(=O)[nH]1
Oc1cccc(Nc2nc(\C=C\c3cc4OCOc4cc3Br)nc3ccccc23)c1
Oc1cccc(Nc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)nc3ccccc23)c1
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C
COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
C=CC(=O)N1CC[C@H](C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |r|
C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Cc1ccc(O)c(C)c1-c1cc(-c2cc(F)nc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
O=C1c2ccccc2-c2n[nH]c3cccc1c23
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC