237 SMILES Strings for Serine/threonine-protein kinase SIK3

Compound Name
SMILES String
Cc1ccnc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1cccnc1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Br)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cncc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1cncc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2cccnc2C)cc(n1)N1CCN(CCO)CC1
Cc1csc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nn(C)c(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1noc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)nc(C)n1
Cc1nc(NCCO)cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)n1
Cc5nc(Nc3ncc(C(=O)NC1CN2CCC1CC2)s3)cc(N4CCN(CCO)CC4)n5
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2F)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)(F)F)cc(n1)N1CCN(CCO)CC1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
CC1CN(CCN1C)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
CN1CCCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)cc(n1)N1CCNC(=O)C1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)nc(C)n1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2F)nc(C)n1
CC1CN(CCN1C)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)nc(C)n1
Cc1scc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2Cl)cc(n1)N1CCN(CCO)CC1
CC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)csc2Cl)nc(C)n1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)csc2Cl)nc(C)n1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CC5(CC(N)C5)C4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC5(CCN5)CC4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CC(N)C4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCCC4CN)c3n2)COC1
CN1CCOCC11CCN(CC1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
COCCN1CCC11CCN(CC1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
NC1CCN(CC1)c1cccc2ncc(nc12)-n1cnc2cc(OCC3CS(=O)(=O)C3)ccc12
CN1CC(C1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(C4CCNC4)c3n2)COC1
CN1CCC(C1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
Cc1ccc(CNC(=O)c2ccn3c(cnc3c2)-c2ccc(cc2)C#N)cn1
O=C(NCc1nc2ccccc2[nH]1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
Cn1c(CNC(=O)c2ccn3c(cnc3c2)-c2ccc(cc2)C#N)nc2ccccc12
O=C(NCc1cn2ccccc2n1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2ccncc2[nH]1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(N1CCn2c(C1)nc1ccccc21)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
CN(Cc1nc2ccccc2n1C)C(=O)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
COc1ccc(OC)c(c1)-c1cnc2cc(ccn12)C(=O)NCc1cccnc1
O=C(NCc1cccnc1)c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1cn2ccccc2n1)c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2cccnc2[nH]1)c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
O=C(NCc1cccnc1)c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(OCC3(C)COC3)ccn12
Cc1ccc(CCOc2ccn3c(cnc3c2)-c2ccc(cc2)C#N)cn1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(OCc3ccc(C)nc3)ccn12
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C#N)c(C)c1
N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CC1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCn1cc(cn1)-c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnn2cc(ccc12)-c1cnn(c1)C1CC1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(c1)C1CC1
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)-c1nnc(C)o1
CCc1nnc(o1)-c1ccc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
COc1cc(cc(OC)c1-c1nnc(o1)C1CC1)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCc1nc(no1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)-c1noc(C)n1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)C(=O)NCc1ccc(C)nc1
COc1cccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n12
CC[C@@H]1CCC[C@@]1(N)COc1cc(cc(OC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CCC1CCC(N)(COc2cc(cc(OC)c2C#N)-c2cnc3cccc(OC)n23)C1
CC[C@@H]1CC[C@@]([NH3+])(COc2cc(cc(OC)c2C#N)-c2cnc3cccc(OC)n23)C1 |r|
CC[C@H]1CCC[C@@]1(N)COc1cc(cc(OC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CC[C@@H]1CCC[C@@]1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(C#N)n12 |r|
CCC1CCCC1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(OC)n12
CC[C@@H]1CCC[C@@]1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CC[C@@H]1OCC[C@@]1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCC(F)(F)C2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
COc1cccc2ncc(-c3cc(OC[C@@]4(N)CCC(F)(F)C4)c(C#N)c(SC)c3)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCCC(C)(C)C2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
CC[C@@H]1CCC[C@](N)(COc2cc(cc(OC)c2C#N)-c2cnc3cccc(OC)n23)C1 |r|
CC[C@H]1CCC[C@@](N)(COc2cc(cc(SC)c2C#N)-c2cnc3cccc(C#N)n23)C1 |r|
COc1cc(cc(OC[C@]2(N)CCCC22CCCC2)c1C#N)-c1cnc2cccc(OC)n12 |r|
COc1cc(cc(OC[C@]2(N)CCCC(CC(F)(F)F)C2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCSC2)c1C#N)-c1cnc2ccccn12 |r|
COc1cccc2ncc(-c3cc(OC[C@@]4(N)CCOC4)c(C#N)c(SC)c3)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCC(F)(F)C2)c1C#N)-c1cnc2ccccn12 |r|
CSc1cc(cc(OC[C@]2(N)CCSC2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
COc1cccc2ncc(-c3cc(OCC4(N)CCCCC4)c(C#N)c(SC)c3)n12
COc1cccc2ncc(-c3cc(OC[C@]4(N)CCCS4)c(C#N)c(SC)c3)n12 |r|
COCC1CCC[C@@](N)(COc2cc(cc(SC)c2C#N)-c2cnc3ccccn23)C1 |r|
COc1cc(cc(OC[C@]2(N)CCC[C@H]2CC2CC2)c1C#N)-c1cnc2cccc(OC)n12 |r|
CSc1cc(cc(OC[C@]2(N)CCC[C@@H](C2)C(F)(F)F)c1C#N)-c1cnc2ccccn12 |r|
CSc1cc(cc(OCC2(N)CCCCC2)c1C#N)-c1cnc2cccc(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2cccc(C#N)n12
CCOC(=O)c1cc(C#N)n2c(cnc2c1)-c1cc(OCC2(N)CCCC2)c(C#N)c(SC)c1
COc1ccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n2c1C#N
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(C)c(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2cc(C)cc(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2cc(Cl)cc(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N(C)C)c(C#N)n12
CCc1ccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n2c1C#N
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N)c(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N3CCC3)c(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N3CCCC3)c(C#N)n12
COc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N(C)C)c(C#N)n12
COc1ccc2ncc(-c3cc(OCC4(N)CCCCC4)c(C#N)c(SC)c3)n2c1C#N
COc1cc(C#N)n2c(cnc2c1)-c1cc(OCC2(N)CCCC2)c(C#N)c(SC)c1
COc1cc(C#N)n2c(cnc2c1)-c1cc(OCC2(N)CCCCC2)c(C#N)c(SC)c1
COc1cc(C#N)n2c(cnc2c1)-c1cc(OC)c(C#N)c(OCC2(N)CCCCC2)c1
CNc1ccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n2c1C#N
COc1cc2ncn(-c3ccc(C(N)=O)c(Oc4ccccc4Cl)n3)c2cc1OC
COc4cc3ncn(c2ccc(C(N)=O)c(Nc1ccccc1)n2)c3cc4OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCc4ccccc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CCN)c4ccsc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CCN)c4ccccc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCCc4ccccc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCC4CC=CS4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCc4ccc(Cl)cc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCCC4=CC(Cl)CC=C4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CN)c4cccc(Cl)c4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CCN)c4cccc(Cl)c4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CN)c4ccsc4)n3)c2cc1OC
COC(=O)c1ccc(-n2cnc3cc(OC)c(OC)cc32)nc1C1=CC(Cl)CC=C1
CC(=O)c1ccc(-n2cnc3cc(Nc4ccc(C)nn4)ncc32)nc1-n1nc(C#N)cc1C
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)c3cn2)nn1
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)c3cn2)cn1
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-c5cn(CC(F)(F)F)nc5C)n4)c3cn2)nn1
CC(=O)c1ccc(-n2cnc3cc(N(C)c4ccc(C)nn4)ncc32)nc1-n1nc(C#N)cc1C
CC(=O)c1ccc(-n2cnc3cc(N4CCOc5cc(C)nnc54)ncc32)nc1-n1nc(C#N)cc1C
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C(F)F)cc5C)n4)c3cn2)nn1
Cc1ccc(Nc2cnc3c(c2)ncn3-c2ccc(C(C)O)c(-n3nc(C#N)cc3C)c2)nn1
Cc1ccc(Nc2cnc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)c4)cnn3c2)nn1
Cc1cc(C(F)F)nn1-c1cc(-n2cnc3cc(Nc4cccnn4)cnc32)ccc1C(C)O
COc1nc2c(cc1Nc1nnc(C)cc1C(=O)N(C)C)ncn2-c1ccc(C#N)c(-n2nc(OC(F)F)cc2C)c1
Cc1ccc(Oc2cnc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)c4)cnn3c2)nn1
Cc1cc(C(=O)N(C)C)c(Nc2cnc3c(c2)ncn3-c2ccc(C#N)c(-n3nc(OC(F)F)cc3C)c2)nn1
Cc1ccc(Nc2cnc3c(c2)ncn3-c2cc(F)c(C(C)O)c(-n3nc(C#N)cc3C)c2)nn1
Cc1ccc(Nc2cnc3c(-c4ccc(C(C)O)c(-n5nc(C(F)F)cc5C)c4)cnn3c2)nn1
[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|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(ncc12)S(C)(=O)=O |r|
Cc1cccc(c1NC(=O)N(c2ccc(cc2OC)OC)c3cc(ncn3)Nc4ccc(cc4)N5CCN(CC5)C)C
COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
COc1ccccc1Nc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:36.39,wD:33.35,(2.41,-17.43,;3.75,-16.66,;5.08,-17.43,;5.08,-18.97,;6.41,-19.74,;7.75,-18.97,;7.74,-17.43,;6.41,-16.67,;6.41,-15.13,;7.75,-14.36,;7.74,-12.83,;9.07,-12.05,;10.41,-12.82,;11.74,-12.05,;13.08,-12.83,;14.42,-12.07,;15.74,-12.85,;17.07,-12.09,;17.08,-10.55,;15.74,-9.77,;14.41,-10.54,;13.08,-9.77,;18.41,-9.79,;18.41,-8.25,;19.74,-7.48,;21.08,-8.26,;21.08,-9.8,;22.41,-10.57,;19.74,-10.56,;13.07,-14.38,;14.4,-15.15,;11.73,-15.14,;11.72,-16.67,;13.05,-17.45,;13.04,-18.99,;14.36,-19.77,;15.7,-19.01,;17.03,-19.79,;15.71,-17.47,;14.38,-16.68,;10.4,-14.37,;9.07,-15.13,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ccccn3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:28.30,wD:25.26,(23.37,-16.61,;23.38,-15.07,;24.71,-14.3,;24.7,-12.77,;26.03,-12,;27.37,-12.77,;28.7,-12,;30.04,-12.78,;31.38,-12.02,;32.7,-12.8,;34.04,-12.04,;34.04,-10.5,;32.7,-9.72,;31.37,-10.49,;30.04,-9.72,;35.37,-9.73,;35.38,-8.2,;36.71,-7.43,;38.05,-8.2,;38.04,-9.75,;36.71,-10.51,;30.03,-14.32,;31.36,-15.1,;28.69,-15.09,;28.68,-16.62,;30.01,-17.4,;30,-18.94,;31.32,-19.71,;32.66,-18.96,;33.99,-19.74,;32.68,-17.42,;31.35,-16.63,;27.37,-14.31,;26.04,-15.08,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3nc(C)ccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(4.41,-29.21,;4.41,-27.67,;5.74,-26.9,;5.73,-25.37,;7.06,-24.6,;8.41,-25.37,;9.74,-24.6,;11.07,-25.38,;12.41,-24.62,;13.73,-25.4,;15.07,-24.64,;15.08,-23.09,;13.74,-22.32,;12.41,-23.09,;11.07,-22.32,;16.41,-22.33,;17.74,-23.11,;19.07,-22.34,;20.4,-23.12,;19.08,-20.8,;17.74,-20.03,;16.41,-20.8,;15.08,-20.03,;11.07,-26.92,;12.4,-27.7,;9.73,-27.69,;9.72,-29.22,;11.05,-30,;11.03,-31.53,;12.35,-32.31,;13.7,-31.56,;15.02,-32.34,;13.71,-30.01,;12.38,-29.23,;8.4,-26.91,;7.07,-27.68,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(20.87,-30.01,;20.87,-28.47,;22.2,-27.7,;22.19,-26.17,;23.52,-25.4,;24.86,-26.17,;26.19,-25.4,;27.53,-26.18,;28.87,-25.42,;30.19,-26.2,;31.53,-25.44,;31.53,-23.9,;30.19,-23.12,;28.86,-23.89,;27.53,-23.12,;32.86,-23.13,;34.19,-23.91,;35.53,-23.15,;35.54,-21.61,;34.2,-20.83,;32.87,-21.6,;31.53,-20.83,;27.52,-27.73,;28.85,-28.5,;26.18,-28.49,;26.17,-30.02,;27.5,-30.8,;27.49,-32.34,;28.81,-33.11,;30.15,-32.36,;31.48,-33.14,;30.17,-30.82,;28.84,-30.03,;24.86,-27.72,;23.53,-28.48,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3C)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(2.39,-18.12,;2.39,-16.58,;3.73,-15.81,;3.72,-14.28,;5.05,-13.51,;6.39,-14.28,;7.72,-13.51,;9.06,-14.29,;10.4,-13.52,;11.72,-14.31,;13.05,-13.55,;13.06,-12,;11.72,-11.23,;10.39,-12,;9.06,-11.23,;14.39,-11.24,;15.72,-12.02,;17.06,-11.25,;17.06,-9.71,;15.72,-8.94,;14.39,-9.71,;13.06,-8.94,;9.05,-15.83,;10.38,-16.61,;7.71,-16.59,;7.7,-18.13,;9.03,-18.91,;9.02,-20.44,;10.34,-21.22,;11.68,-20.47,;13.01,-21.25,;11.69,-18.92,;10.36,-18.14,;6.38,-15.82,;5.06,-16.59,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3OC)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(18.96,-17.33,;18.96,-15.79,;20.3,-15.02,;20.29,-13.49,;21.62,-12.72,;22.96,-13.49,;24.29,-12.72,;25.63,-13.5,;26.96,-12.73,;28.29,-13.52,;29.62,-12.75,;29.63,-11.21,;28.29,-10.44,;26.96,-11.2,;25.63,-10.43,;30.96,-10.45,;32.29,-11.23,;33.63,-10.46,;33.63,-8.92,;32.29,-8.15,;30.96,-8.92,;29.63,-8.14,;29.63,-6.6,;25.62,-15.04,;26.95,-15.82,;24.28,-15.8,;24.27,-17.34,;25.6,-18.11,;25.58,-19.65,;26.91,-20.43,;28.25,-19.67,;29.57,-20.46,;28.26,-18.13,;26.93,-17.35,;22.95,-15.03,;21.62,-15.8,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3nc(C)ccc3OC)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:31.33,wD:28.29,(6.5,-14.44,;6.5,-12.9,;7.84,-12.13,;7.83,-10.6,;9.16,-9.83,;10.5,-10.6,;11.83,-9.83,;13.17,-10.61,;14.5,-9.84,;15.83,-10.63,;17.16,-9.86,;17.17,-8.32,;15.83,-7.55,;14.5,-8.31,;13.17,-7.54,;18.5,-7.56,;19.83,-8.34,;21.17,-7.57,;22.5,-8.35,;21.17,-6.03,;19.83,-5.26,;18.5,-6.03,;17.17,-5.25,;17.17,-3.71,;13.16,-12.15,;14.49,-12.93,;11.82,-12.91,;11.81,-14.45,;13.14,-15.22,;13.13,-16.76,;14.45,-17.54,;15.79,-16.78,;17.12,-17.57,;15.8,-15.24,;14.47,-14.46,;10.49,-12.14,;9.16,-12.91,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(n3)C(F)(F)F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:32.34,wD:29.30,(4.99,-14.07,;4.99,-12.53,;6.32,-11.76,;6.31,-10.23,;7.64,-9.46,;8.98,-10.23,;10.32,-9.46,;11.65,-10.24,;12.99,-9.47,;14.31,-10.26,;15.65,-9.5,;15.66,-7.95,;14.32,-7.18,;12.99,-7.94,;11.65,-7.18,;16.99,-7.19,;16.99,-5.66,;18.32,-4.89,;19.66,-5.66,;19.65,-7.2,;18.32,-7.97,;20.98,-7.98,;22.07,-6.88,;22.48,-8.37,;20.98,-9.52,;11.65,-11.78,;12.98,-12.56,;10.31,-12.55,;10.3,-14.08,;11.63,-14.86,;11.61,-16.39,;12.93,-17.17,;14.28,-16.42,;15.6,-17.2,;14.29,-14.87,;12.96,-14.09,;8.98,-11.77,;7.65,-12.54,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(n3)C(F)F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:31.33,wD:28.29,(4.94,-14.03,;4.94,-12.49,;6.27,-11.72,;6.27,-10.19,;7.59,-9.42,;8.94,-10.19,;10.27,-9.42,;11.61,-10.2,;12.94,-9.44,;14.27,-10.22,;15.6,-9.46,;15.61,-7.92,;14.27,-7.14,;12.94,-7.91,;11.61,-7.14,;16.94,-7.15,;16.94,-5.62,;18.27,-4.85,;19.61,-5.62,;19.61,-7.17,;18.27,-7.93,;20.93,-7.94,;22.27,-7.17,;20.93,-9.48,;11.6,-11.74,;12.93,-12.52,;10.26,-12.51,;10.25,-14.04,;11.58,-14.82,;11.56,-16.36,;12.89,-17.13,;14.23,-16.38,;15.55,-17.16,;14.24,-14.84,;12.91,-14.05,;8.93,-11.73,;7.6,-12.5,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(OC)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(17.34,-23.27,;17.34,-21.73,;18.68,-20.96,;18.67,-19.43,;20,-18.66,;21.34,-19.43,;22.67,-18.65,;24.01,-19.44,;25.35,-18.67,;26.67,-19.46,;28,-18.69,;28.01,-17.15,;26.67,-16.38,;25.34,-17.14,;24.01,-16.37,;29.34,-16.39,;29.34,-14.85,;30.67,-14.09,;32.01,-14.86,;32.01,-16.4,;33.33,-17.18,;34.67,-16.41,;30.67,-17.17,;24,-20.98,;25.33,-21.76,;22.66,-21.74,;22.65,-23.28,;23.98,-24.05,;23.97,-25.59,;25.29,-26.37,;26.63,-25.61,;27.96,-26.4,;26.64,-24.07,;25.31,-23.29,;21.33,-20.97,;20,-21.74,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cc(C)cc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(6.2,-26.67,;6.2,-25.13,;7.54,-24.36,;7.53,-22.83,;8.86,-22.06,;10.2,-22.83,;11.53,-22.06,;12.87,-22.84,;14.2,-22.08,;15.53,-22.86,;16.86,-22.1,;16.87,-20.56,;15.53,-19.78,;14.2,-20.55,;12.87,-19.78,;18.2,-19.79,;18.2,-18.26,;19.53,-17.49,;19.53,-15.95,;20.87,-18.26,;20.87,-19.81,;22.2,-20.58,;19.53,-20.57,;12.86,-24.38,;14.19,-25.16,;11.52,-25.15,;11.51,-26.68,;12.84,-27.46,;12.82,-29,;14.15,-29.77,;15.49,-29.02,;16.82,-29.8,;15.5,-27.48,;14.17,-26.69,;10.19,-24.37,;8.86,-25.14,)|
CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCCCN
CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(Br)ccc3Cl)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(Br)ccc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:23.24,wD:20.20,(-6.66,.38,;-5.33,-.39,;-4,.38,;-4,1.93,;-2.66,2.7,;-1.33,1.93,;-0,2.69,;1.33,1.92,;2.66,2.69,;4,1.92,;5.33,2.7,;6.66,1.93,;5.33,4.23,;3.99,5,;2.66,4.23,;1.33,5,;1.33,.39,;2.67,-.38,;-0,-.38,;-0,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;5.33,-5,;4,-2.69,;2.67,-1.92,;-1.33,.39,;-2.66,-.38,)|
CNc1ncc2cc(-c3cc(Cl)ccc3Cl)c(=O)n(CCCCN)c2n1
CNc1ncc2c(n1)N(C(=O)C(=C2)c3cc(ccc3Cl)C(F)(F)F)CCCCN
CNc1ncc2cc(-c3cc(Cl)ccc3Br)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(Br)ccc3Br)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(F)c(cc3F)-c3cccc(C)n3)c(=O)n(CCCCN)c2n1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cccc(OCCN(C)C)n2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(CN3CCOCC3=O)ccn2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(CN3CCOCC3)ccn2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
CN1CC(C1)Oc1cnc(cc1-c1ccn2nc(NC(=O)C3CC3)cc2c1)C#N
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCOCC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(C)CC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
COc1cc(cc2CCN(CC#N)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(C)CC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2nc(C)nc(N3CCN(C)CC3)c2F)s1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCO)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-n1cnc2cc(ccc12)N1CCOCC1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)N1CCOCC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCOCC1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)N1CC(F)(F)C1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CC(F)(F)C1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCN(C)CC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCN(CC1)C(C)=O
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCN(CCO)CC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCC(CC1)N(C)C
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CC(C1)N(C)C
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(Nc3cccc(c3)N3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(Nc3cn(C)cn3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(NC(=O)C3CCOCC3)ccn12
COCCC(=O)Nc1ccn2c(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC(F)F)c1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(NCCN3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(OCCC3CCOCC3)ccn12
COc1cc(cnc1C(=O)NC1CC1)-c1cnc2cc(OCCN3CCOCC3)ccn12
FC(F)Oc1cc(cnc1C(=O)NC1CC1)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cnc1C(=O)NCC(F)(F)F)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cc2CCN(C3CC3)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(ccc1C(N)=O)-n1cnc2cc(Br)ccc12
COc1cc(cc(OC)c1C(N)=O)-n1cnc2cc(Br)ccc12
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(N)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)OC)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(CO)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(O)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC(C)(C)C)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)N(C)C2CC2)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC(N)=O)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC#N)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCOC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(c1)C1CCOCC1
CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(C)c1
COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nc12)c1c(C)cccc1Cl
c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5
CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3F)c(NC3CC3)n2)cc1F
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3F)c(NC3CCC3)n2)cc1F
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
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC