4010 SMILES Strings for Sodium channel protein type 5 subunit alpha

Compound Name
SMILES String
Brc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)N=[N+]=[N-]
Brc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Brc1ccc2NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn3-c2c1
Brc1cccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)c1
Brc1ccccc1CNC(=O)C1N(CCc2ccccn2)C(=O)c2ccccc12
C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r|
C(Cc1cccc2ccccc12)O[C@@H]1CCCC[C@H]1N1CCOCC1
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1ccccc1
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1ccccn1
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1ccn[nH]1
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1cnc[nH]1
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1cscn1
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ncc12)c1cscn1
C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)|
CC#Cc1cncc(c1)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
CC(=O)N1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)|
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)|
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(cc2)C(F)(F)F)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCc3ccccc3C2)c1
CC(=O)n1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
CC(=O)n1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(nc12)S(=O)(=O)Nc1ncns1
CC(C)(C)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(N)=O |r|
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)NC(=O)OC(Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
CC(C)(C)NCc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1c(F)cc(NC2(C)CN(Cc3ccccc3)C2)c(Br)c1F
CC(C)(C)OC(=O)N1CC(C1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(C)(C)OC(=O)N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |c:10|
CC(C)(C)OC(=O)N1CCC(CC1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(C)(C)OC(=O)N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)sc2C1 |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2nc(N)sc2C1 |r|
CC(C)(C)OC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
CC(C)(C)OC(=O)N1CCc2c(C1)cccc2-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)[C@@H]2CCCN2)cc1 |r|
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)[C@H]2CCCN2)cc1 |r|
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)c2ccc[nH]2)cc1
CC(C)(C)OC(=O)n1cc(nc1N)-c1ccc(NC(=O)c2ccco2)cc1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)[C@H]2CCCN2)c1 |r|
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2cc[nH]c2)c1
CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2ccc[nH]2)c1
CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
CC(C)(C)c1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1 |r|
CC(C)(C)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1
CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
CC(C)(C)c1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
CC(C)(CN1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O)c1ccccn1
CC(C)(Cc1ccccn1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(C)(N)C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
CC(C)(N)Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
CC(C)(N1CCC(CC1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CC(C)(N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1cc(Cl)cc(Cl)c1 |r|
CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(N)=O)c1cccc(Cl)c1 |r|
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
CC(C)CC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
CC(C)CCOc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
CC(C)CN(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC(C)CNCc1cccc(F)c1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1cscn1
CC(C)CNS(=O)(=O)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F |r|
CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
CC(C)COc1ccc(cc1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ccc(cn1)-c1nn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
CC(C)COc1ccc(cn1)-c1nn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
CC(C)COc1ccc(cn1)-c1nn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(Oc2cc(F)c(cc2Cl)C(=O)NS(=O)(=O)N(C)C)cc1Cl
CC(C)COc1ncc(Oc2nccc3cc(ccc23)C(=O)NS(C)(=O)=O)cc1Cl
CC(C)COc1ncc(cc1C#N)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1c(F)cc(cc1F)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)-c1nnc([nH]1)S(=O)(=O)C1CCC1
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)-c1nnc([nH]1)S(=O)(=O)CC1CC1
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)-c1nnc([nH]1)S(=O)(=O)NC1CC1
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1ccc(C(=O)NS(C)(=O)=O)c(F)c1
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1C#N)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1C(F)(F)F)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1C1=CCOC1)C(=O)NS(C)(=O)=O |t:20|
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1Cl)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1F)-c1nnc([nH]1)S(=O)(=O)C1CCC1
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1F)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1OC(F)(F)F)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1cn(C(C)C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C(C)(C)C
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C(C)C
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)N(C)C
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)N1CCCCC1
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1cn(CC(C)C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
CC(C)COc1ncc(cc1Cl)-c1cn(CC(C)C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1n(C)nc2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
CC(C)COc1ncc(cc1Cl)-c1n(C)nc2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(cc1Cl)-c1nn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
CC(C)COc1ncc(cc1Cl)-c1nn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)C[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC(C)C[C@H](CN)Cc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC(C)Cc1ccc(cc1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)Cn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
CC(C)N(C(C)C)C(=O)CN1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1
CC(C)N(C(C)C)C(=O)CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccon1
CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1cscn1
CC(C)N(C)Cc1cccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1cscn1
CC(C)N(C)Cc1cccc(F)c1CNc1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1
CC(C)N(C)Cc1ccccc1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1ccon1
CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
CC(C)NCC(O)COc1cccc2ccccc12
CC(C)NCc1cccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1cscn1
CC(C)Nc1ccc(F)cc1CN1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
CC(C)Oc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
CC(C)Oc1c(F)c(F)ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
CC(C)Oc1ccc(CNC(=O)Cc2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(9.43,-.5,;8.08,.24,;8.05,1.78,;6.76,-.55,;5.42,.19,;5.38,1.74,;4.04,2.48,;2.73,1.69,;1.38,2.43,;.06,1.64,;-1.28,2.38,;-1.31,3.92,;-2.6,1.59,;-4.07,2.06,;-4.55,3.52,;-3.65,4.77,;-6.09,3.52,;-6.56,2.05,;-5.31,1.14,;-5.31,-.4,;-6.64,-1.17,;-7.97,-.4,;-6.64,-2.71,;-5.3,-3.48,;-3.97,-2.71,;-3.97,-1.16,;-2.64,-.38,;2.75,.15,;4.09,-.6,)|
CC(C)Oc1ccc(CNC(=O)Nc2c(C)onc2-c2c(C)cccc2C)cn1 |(32.67,-21.53,;31.32,-20.79,;31.28,-19.25,;30,-21.58,;28.66,-20.84,;28.62,-19.29,;27.28,-18.55,;25.97,-19.35,;24.62,-18.6,;23.3,-19.39,;21.96,-18.65,;21.93,-17.11,;20.64,-19.44,;19.17,-18.97,;18.69,-17.51,;19.59,-16.26,;17.15,-17.51,;16.68,-18.98,;17.93,-19.89,;17.93,-21.43,;16.6,-22.2,;15.27,-21.43,;16.6,-23.74,;17.94,-24.51,;19.27,-23.74,;19.27,-22.19,;20.6,-21.42,;25.99,-20.88,;27.33,-21.63,)|
CC(C)Oc1ccc(CNC(=O)Nc2c(C)onc2-c2c(Cl)cncc2Cl)cn1 |(9.77,-47,;8.42,-46.25,;8.4,-44.71,;7.11,-47.05,;5.76,-46.3,;5.73,-44.75,;4.38,-44.01,;3.07,-44.81,;1.73,-44.06,;.41,-44.86,;-.94,-44.11,;-.97,-42.57,;-2.26,-44.9,;-3.73,-44.43,;-4.21,-42.97,;-3.31,-41.72,;-5.75,-42.98,;-6.22,-44.44,;-4.97,-45.35,;-4.97,-46.89,;-6.29,-47.66,;-7.63,-46.89,;-6.3,-49.21,;-4.96,-49.98,;-3.63,-49.21,;-3.63,-47.66,;-2.3,-46.88,;3.09,-46.35,;4.44,-47.09,)|
CC(C)Oc1ccc(COC(=O)N(C)c2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(48.65,-19.56,;47.31,-18.81,;47.28,-17.27,;45.99,-19.61,;44.64,-18.86,;44.61,-17.31,;43.26,-16.57,;41.95,-17.37,;40.61,-16.62,;39.29,-17.42,;37.94,-16.67,;37.91,-15.13,;36.62,-17.46,;37.38,-18.79,;35.15,-16.99,;34.67,-15.53,;35.58,-14.28,;33.13,-15.54,;32.66,-17,;33.91,-17.91,;33.92,-19.45,;32.59,-20.22,;31.25,-19.45,;32.58,-21.77,;33.92,-22.54,;35.26,-21.77,;35.25,-20.22,;36.58,-19.44,;41.97,-18.91,;43.32,-19.65,)|
CC(C)Oc1ccc(COC(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(7.49,-20.61,;6.15,-19.87,;6.12,-18.33,;4.83,-20.66,;3.48,-19.92,;3.45,-18.37,;2.1,-17.63,;.79,-18.43,;-.55,-17.68,;-1.87,-18.47,;-3.22,-17.73,;-3.25,-16.19,;-4.54,-18.52,;-6.01,-18.05,;-6.49,-16.59,;-5.58,-15.34,;-8.03,-16.59,;-8.5,-18.06,;-7.25,-18.97,;-7.24,-20.51,;-8.57,-21.28,;-9.91,-20.51,;-8.58,-22.82,;-7.24,-23.6,;-5.9,-22.82,;-5.91,-21.27,;-4.58,-20.5,;.81,-19.97,;2.16,-20.71,)|
CC(C)Oc1ccc(F)c(CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)c1CN(C)C(C)C
CC(C)Oc1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccc(F)n2)c(c1)-c1ccnn1C
CC(C)Oc1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccc(F)n2)c(c1)-c1ccnn1C
CC(C)Oc1ccc(cc1)N=C(N)NC(=O)c1ccc(C)cc1 |w:10.10|
CC(C)Oc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CC(C)Oc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
CC(C)Oc1cccc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c1
CC(C)Oc1cccc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-c2ccnn2C)C(F)(F)F)n1
CC(C)Oc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccnn2C)C(F)(F)F)n1
CC(C)Oc1cccnc1CN1CC[C@@H](C1)N(C)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CC(C)Oc1ncc(CN2CC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)C2)cc1Cl
CC(C)Oc1ncc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1Cl
CC(C)Oc1ncc(Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)cc1Cl
CC(C)Oc1ncc(Oc2cc(F)c(cc2C=C)C(=O)NS(=O)(=O)N2CCC2)cc1Cl
CC(C)Oc1ncc(Oc2ccc(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)cc1Cl
CC(C)Oc1ncc(cc1Cl)[C@@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
CC(C)Oc1ncc(cc1Cl)[C@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
CC(C)[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)c1ccccc1
CC(C)[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)c1cc(F)ccc1N1CN(C(=O)c2cc(Cl)ncc12)c1ccc(=O)[nH]c1C
CC(C)c1cc(F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1ccc(=O)[nH]c1C
CC(C)c1cc(F)ccc1N1CN(C(=O)c2nc(Cl)ccc12)c1ccc(=O)[nH]c1C
CC(C)c1ccc(C)cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
CC(C)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
CC(C)c1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
CC(C)c1ccc(cc1)N=C(N)NC(=O)c1ccc(C)cc1 |w:9.9|
CC(C)c1cccc(c1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)c1ccccc1N=C(N)NC(=O)c1ccc(C)cc1 |w:9.9|
CC(C)c1csc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2C)S(=O)(=O)Nc2cscn2)n1
CC(C)c1nc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)cs1
CC(C)c1nc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2C)S(=O)(=O)Nc2cscn2)co1
CC(C)c1nc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2C)S(=O)(=O)Nc2cscn2)cs1 |r|
CC(C)c1nc(CN2CC[C@@H](C2)N(C)c2cnc(cc2C)S(=O)(=O)Nc2cscn2)cs1 |r|
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
CC(C)n1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
CC(C)n1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)C1CC1
CC(CC#N)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O
CC(CNc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1
CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
CC(Cc1ccccn1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(Cc1cccnc1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
CC(N)COc1c(C)ccc(O)c1C
CC(N)COc1c(C)cccc1C
CC(N1C2CCC1CC2)c1c(F)ccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1
CC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(F)cc(F)c1
CC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1
CC(N1CCC(CC1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |w:1.0|
CC(N1CCC(CC1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |w:1.0|
CC(N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C1CC1
CC(N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CC(N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |w:1.0|
CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1
CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(F)c1
CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1
CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1
CC(N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)CC1)c1cc(Cl)cc(Cl)c1
CC(NC(=O)C1N(CCc2ccccn2)C(=O)c2ccccc12)c1ccc(OCC(F)(F)F)cc1
CC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cnccn1)c1cc(Cl)ccc1F
CC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)cc(F)c1
CC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1cnn(C)c1
CC(O)c1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
CC1(C)C(=O)N(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
CC1(C)CCN1Cc1c(F)cccc1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC1(C)CCN1Cc1cccc(Cl)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CC1(C)CCOc2c(Cl)cc(CN3CCC4(CN(C(=O)C4)c4ccc(cc4)C(O)=O)CC3)cc12
CC1(C)CCc2cc(OCc3cc(F)c(cc3Cl)C(=O)NS(=O)(=O)N3CCC3)ccc2O1
CC1(C)CN(Cc2cc(Cl)cc(Cl)c2)CCC1Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CC1(C)CN(Cc2cc(F)c(cc2C2CC2)C(N)=O)CCC1Oc1cc(c(Cl)cn1)C(F)(F)F
CC1(C)CN(Cc2ccccc2)CCC1Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CC1(C)CN(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
CC1(C)CN2CCC[C@@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
CC1(C)CNCCC1Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CC1(C)CN[C@@H]([C@@H](Oc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)O1)c1cc(Cl)cc(Cl)c1 |r|
CC1(C)CN[C@H]([C@H](Oc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)O1)c1cc(Cl)cc(Cl)c1 |r|
CC1(C)CO[C@H](Cc2cc(Cl)cc(Cl)c2)CN1Cc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 |r|
CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccc2[nH]ccc2c1)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1cccc(Cl)c1)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccc1C(F)(F)F)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccn1)c1ccccc1
CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CC1(CCCN(C1)C(=O)Nc1ccncc1)c1ccccc1
CC1(CCN(Cc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)Oc1cc(c(Cl)cn1)C(F)(F)F |$;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
CC1(CCN(Cc2cccc(Cl)c2)CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
CC1(CCN(Cc2cccc(c2)C(F)F)CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
CC1(CCN(Cc2ccccc2)C1)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
CC1(CCN(Cc2ccccc2)C1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |w:13.14,1.0|
CC1(CCN(Cc2ccccc2)CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
CC1(CN(CCO1)c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)c1ccccc1
CC1(CN(Cc2ccccc2)C1)Nc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1
CC1(CN(Cc2ccccc2)C1)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
CC1(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)COC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1ccccc1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1cc(Cl)c(cn1)C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1cc(Cl)ncc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(Cl)c(n1)C(F)(F)F
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(cn1)C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccncc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ncc(Cl)cc1F
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ncc(cc1Cl)C(F)(F)F
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CN(C1)C(c1ccccc1)c1ccccc1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C(=O)c1cc(Cl)c(Cl)cc1F
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C(=O)c1cc(Cl)ccc1Cl
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C(c1ccccc1)c1ccccc1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C1(COC1)c1cc(Cl)cc(Cl)c1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)cc(Cl)c2)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)cc(c2)C(F)(F)F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(cc(Cl)c2F)C(F)(F)F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2ccc(Cl)c(Cl)c2)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2ccc(F)cc2C(F)(F)F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1ccccc1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(Cc2cc(Cl)cc(Cl)c2)C1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(Cc2cc(cc(Cl)c2F)C(F)(F)F)C1
CC1(COc2cc(F)c(cc2C2CC2)C(N)=O)CN(C1)c1cc(c(Cl)cn1)C(F)(F)F
CC1(F)CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2ccon2)C1
CC1(F)CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
CC1(O)CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
CC1=C(C=C[N]([O-])=C1)N1CN(c2ccc(OC(F)(F)F)cc2C)c2cnc(cc2C1=O)C(F)(F)F |c:3,6,t:1|
CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
CC1CC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC(C)O1
CC1CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
CC1CN(Cc2cccc(F)c2CNc2ccc(nc2C)S(=O)(=O)Nc2cscn2)C1
CC1CN(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
CC1COC1CN(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC1COc2cc(ccc2N1c1ccc(cc1C#N)C(F)(F)F)S(=O)(=O)Nc1nccs1
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(C)(C)CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CCC(C)CC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CCC(N(C)c1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CCC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1
CCC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
CCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1
CCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc2CCCCc2c1
CCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F
CCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccnc1
CCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccncc1
CCC(Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1)c1ccccc1
CCC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccn1
CCC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1
CCC(c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
CCC1CN(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
CCCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CCCC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CCCC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1
CCCCCCCC(O)(C(N)=O)c1cccc(Cl)c1
CCCCCCCSc1nc(N)cc(=O)[nH]1
CCCCCCC[C@@](O)(C(N)=O)c1cccc(Cl)c1 |r|
CCCCCCC[C@](O)(C(N)=O)c1cccc(Cl)c1 |r|
CCCCCCN(CCCN[C@@H](CCc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2ccccc12)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CCCCCCN(CCCN[C@@H](CCc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CCCCCCN(CCCN[C@@H](CCc1ccc2cc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)ccc2c1)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CCCCCCN(CCCN[C@@H](Cc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2CCCCc12)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CCCCCCN(CCCN[C@@H](Cc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2ccccc12)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CCCCCCN(CCCN[C@@H](Cc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
CCCCCCN(CCCN[C@@H](Cc1ccc2cc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)ccc2c1)C(N)=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CCCCN=C(N)NC(=O)c1ccc(C)cc1 |w:4.3|
CCCCNc1ccc(cc1)C(=O)OCCN(C)C
CCCCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:16.17|
CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r|
CCCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
CCCCc1nc2cc(ccc2o1)C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc21
CCCN(CCC)[C@@H]([C@H](N(CCC)C[C@H](O)CO)c1ccccn1)c1ccccn1 |r|
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
CCCS(=O)(=O)NC(=O)c1cc(C)c(cc1F)-c1cnc(OC2CCC2)c(Cl)c1
CCC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CCCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CCCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
CCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CCCc1ccc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)cc1
CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
CCN(CC)C(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CCN(CC)C(=O)CN1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
CCN(CC)CC(=O)Nc1c(C)cccc1C
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CC)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CCN([C@H]1CCN(Cc2cccc(C)c2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CCN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |r|
CCN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CCN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1
CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
CCNC(=N)NC(=O)Nc1c(CC)cc(NS(=O)(=O)c2ccccc2)cc1CC
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NC(C)C
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NCc1ccccc1
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3|
CCNC1=N[C@H]2[C@H](O[C@H](C)[C@@H](O)[C@@H]2O)S1 |r,t:3|
CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3|
CCOC(=O)C1=C(CC(C)(CC(F)(F)F)O1)OS(=O)(=O)C(F)(F)F |t:5|
CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
CCOC1(C)CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r|
CCOc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)C(F)(F)F
CCOc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
CCOc1c(F)c(F)ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
CCOc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)C(=O)C1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1C1CCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1
CCOc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(OCC)c1 |r|
CCOc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)cc1F
CCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:14.15|
CCOc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CCOc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
CCOc1ccc(cn1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
CCOc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
CCOc1ncc(cn1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CCS(=O)(=O)NC(=O)c1cc(C)c(cc1F)-c1cnc(Oc2c(C)cc(Cl)cc2Cl)c(Cl)c1
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)C(c2ccccc2)c2ccccc2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)[C@@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)[C@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)c2ncc(Cl)cc2F)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)c2ncc(cc2Cl)C(F)(F)F)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(C)(C)c2cc(Cl)cc(Cl)c2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(C)c2cc(Cl)cc(Cl)c2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C(F)F)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C)c2ccc(Cl)cc2Cl)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C)c2ccc(F)cc2Cl)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](COC)c2ccc(Cl)cc2Cl)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@](C)(COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C(F)F)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C)c2ccc(Cl)cc2Cl)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C)c2ccc(F)cc2Cl)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](COC)c2ccc(Cl)cc2Cl)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@](C)(COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(c3)C(F)(F)F)CC2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)CC2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N(C2)[C@@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N(C2)[C@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
CCS(=O)(=O)NC(=O)c1ccc(c(OC)c1)-c1cnc(Oc2c(C)cc(Cl)cc2Cl)c(Cl)c1
CCS(=O)(=O)NC(=O)c1ccc2c(cn(C)c2c1)-c1cnc(OCC(C)C)c(Cl)c1
CC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
CC[C@@H](N1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
CC[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1CN(C)C |r|
CC[C@@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1 |r|
CC[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1ccc(Cl)cc1
CC[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1ccc(F)c(C)c1
CC[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1ccc(F)cc1
CC[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)c1ccc(F)cc1
CC[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC
CC[C@@]1(C[C@H]([C@@H](O1)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC)C(F)(F)F
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)CN |r|
CC[C@H](Cc1ccccc1)Oc1ncc(cc1Cl)-c1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O
CC[C@H](Cc1ccccc1)Oc1ncc(cc1Cl)-c1cc(F)c(cc1OC)C(=O)NS(C)(=O)=O
CC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
CC[C@H](N1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
CC[C@H](N1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1Cl |r|
CC[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cc(F)ccc1Cl |r|
CC[C@H](Nc1cc(F)c(cc1Br)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1F |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1Cl |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1Cl |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)c1ccccc1 |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1C |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1CN(C)C |r|
CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
CC[C@H](Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1 |r|
CC[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
CC[C@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1ccc(F)cc1
CC[C@H](Sc1cc(F)c(cc1C)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CC[C@H]1CN(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F |r|
CC[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC
CCc1c(F)c(F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1ccc(=O)[nH]c1C
CCc1c(F)c(c(F)cc1O[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
CCc1c(F)ccc([C@@H]2C[C@@](C)(O[C@H]2C(=O)Nc2ccnc(c2)C(N)=O)C(F)(F)F)c1OC
CCc1c(F)ccc([C@H]2C[C@](C)(O[C@@H]2C(=O)Nc2ccnc(c2)C(N)=O)C(F)(F)F)c1OC
CCc1cc(F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1ccc(=O)[nH]c1C
CCc1cc(F)ccc1N1CN(C(=O)c2cnc(cc12)C(F)(F)F)c1ccc(=O)[nH]c1C
CCc1cc(c(F)cc1N(C)[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
CCc1cc(c(F)cc1N[C@@H](C)c1cc(F)ccc1F)S(=O)(=O)Nc1cscn1 |r|
CCc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
CCc1ccc(cc1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CCc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CCc1cccc(c1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CCc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(F)(F)F)cn2)c1N
CCc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1cccc(F)c1C
CCc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1ccccc1OC
CCc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
CCc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(12.19,-25.21,;12.82,-26.62,;11.92,-27.87,;10.38,-27.87,;9.9,-29.34,;11.15,-30.25,;12.4,-29.33,;13.86,-29.8,;15.18,-29.01,;15.16,-27.47,;16.53,-29.75,;17.85,-28.96,;19.2,-29.71,;19.21,-31.24,;17.89,-32.03,;20.56,-31.99,;21.88,-31.2,;21.85,-29.65,;20.5,-28.91,;20.47,-27.37,;11.16,-31.79,;9.83,-32.56,;8.49,-31.79,;9.83,-34.1,;11.16,-34.87,;12.5,-34.1,;12.49,-32.55,;13.82,-31.78,)|
CCc1sc(cc1N(C)C1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cccc(F)n1
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1c(C)cccc1C |(-1.81,-21.92,;-2.57,-20.59,;-1.25,-19.8,;-1.28,-18.26,;.1,-20.54,;1.42,-19.75,;2.76,-20.5,;4.07,-19.7,;5.41,-20.44,;5.45,-21.99,;6.79,-22.73,;8.11,-21.94,;9.46,-22.69,;10.77,-21.9,;10.75,-20.36,;9.4,-19.61,;8.08,-20.4,;4.12,-22.78,;2.78,-22.04,;-4.04,-20.12,;-4.52,-18.66,;-3.62,-17.41,;-6.06,-18.66,;-6.53,-20.13,;-5.28,-21.04,;-5.28,-22.58,;-6.61,-23.35,;-7.94,-22.58,;-6.61,-24.89,;-5.27,-25.66,;-3.94,-24.89,;-3.94,-23.34,;-2.61,-22.57,)|
CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1c(Cl)cccc1Cl |(-2.67,-10.41,;-3.43,-9.09,;-2.11,-8.29,;-2.13,-6.75,;-.76,-9.04,;.56,-8.25,;1.91,-8.99,;3.21,-8.2,;4.56,-8.94,;4.59,-10.48,;5.94,-11.23,;7.26,-10.43,;8.6,-11.18,;9.92,-10.39,;9.89,-8.85,;8.55,-8.1,;7.22,-8.9,;3.27,-11.28,;1.92,-10.53,;-4.89,-8.62,;-5.37,-7.15,;-4.47,-5.91,;-6.91,-7.16,;-7.39,-8.63,;-6.14,-9.53,;-6.13,-11.07,;-7.46,-11.85,;-8.8,-11.08,;-7.46,-13.39,;-6.13,-14.16,;-4.79,-13.39,;-4.8,-11.84,;-3.47,-11.06,)|
CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1ccccc1Cl
CN(C(=O)OCc1c(F)cccc1Cl)c1c(C)onc1-c1c(Cl)cccc1Cl |(-4.22,-30.23,;-4.98,-28.91,;-3.66,-28.11,;-3.69,-26.57,;-2.32,-28.86,;-1,-28.06,;.35,-28.81,;.37,-30.35,;-.95,-31.14,;1.71,-31.1,;3.04,-30.3,;3,-28.75,;1.66,-28.02,;1.62,-26.48,;-6.45,-28.44,;-6.93,-26.97,;-6.03,-25.72,;-8.47,-26.98,;-8.94,-28.44,;-7.69,-29.35,;-7.69,-30.89,;-9.02,-31.66,;-10.35,-30.89,;-9.02,-33.21,;-7.68,-33.98,;-6.35,-33.21,;-6.35,-31.66,;-5.02,-30.88,)|
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CN(C)CC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CN(C)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CN(C)CCOC(c1ccccc1)c1ccccc1
CN(C)CCn1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
CN(C)C[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CN(C)C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
CN(C)Cc1cccc(F)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN(C)Cc1ccccc1C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN(C)Cc1ccccc1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2CC3CC2C2CCCC32)cc1F |THB:14:15:18:24.20,23:24:15.16:18,21:20:15.16:18|
CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:15:16:22:19.18.26,THB:17:16:22:19.18.26,17:18:22:16.27.21,27:16:19:22.25.26,27:25:19:16.17.21|
CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
CN(C)S(=O)(=O)NC(=O)c1ccc2c(cn(C)c2c1)-c1ccc(cc1)C(F)(F)F
CN(C)S(=O)(=O)NC(=O)c1ccc2c(cn(C)c2c1)-c1ccc(cc1)C(F)F
CN(C)c1c(C)cc(cc1C)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
CN(C)c1ccc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)cc1
CN(C)c1cccc(COC(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)c1 |(27.14,-8,;25.79,-7.26,;25.76,-5.72,;24.48,-8.06,;24.51,-9.61,;23.19,-10.4,;21.84,-9.65,;21.83,-8.11,;20.48,-7.37,;19.16,-8.16,;17.81,-7.42,;17.78,-5.88,;16.49,-8.21,;15.03,-7.74,;14.55,-6.28,;15.45,-5.03,;13.01,-6.28,;12.53,-7.75,;13.78,-8.66,;13.79,-10.2,;12.46,-10.97,;11.12,-10.2,;12.46,-12.51,;13.79,-13.28,;15.13,-12.51,;15.12,-10.96,;16.45,-10.18,;23.13,-7.32,)|
CN(C)c1cccc(c1)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
CN(C)c1cccc(c1)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc21
CN(C)c1nnc2ccc(cn12)-c1ccc(OC(F)(F)F)cc1
CN(C)c1noc2ccc(cc12)C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
CN(C1CCN(Cc2cc(F)ccc2F)CC1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2cccc(Cl)c2)CC1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2cccc(F)c2)CC1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2cccc(F)c2)CC1)c1cnc(cc1C)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)CC1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
CN(C1CCN(Cc2ccccc2)CC1)c1cc(F)c(nc1C)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)CC1)c1cc(sc1C)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)CC1)c1cc(sc1Cl)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)CC1)c1cnc(c(F)c1C(F)(F)F)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)CC1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)CC1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)CC1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)CC1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)CC1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)CC1)c1ncc(cc1Cl)S(=O)(=O)Nc1cscn1
CN(C1CCN(Cc2ccccc2)CC1)c1sc(nc1C(F)(F)F)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2)CC1)c1sc(nc1C)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2F)CC1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2F)CC1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cccc(F)n1
CN(C1CCN(Cc2ccccc2F)CC1)c1cnc(cc1C)S(=O)(=O)Nc1cccc(F)n1
CN(CC1CC1)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CN(CC1CC1)Cc1cccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1cscn1
CN(CCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)N(C(=O)OC(C)(C)C)c1ccc(F)cn1)C(=O)OC(C)(C)C
CN(CCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)N(C(=O)OC(C)(C)C)c1cscn1)C(=O)OC(C)(C)C
CN(CCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)N(C(=O)OC(C)(C)C)c1ncc(F)cn1)C(=O)OC(C)(C)C
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
CN(Cc1c(F)ccc(F)c1CN1CCC1)c1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CN(Cc1c(F)ccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(Cl)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccsn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C1CCC1
CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C1COC1
CN(Cc1cccc(F)c1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1cc(F)c(nc1C1CC1)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ccc(c(C)n1)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ccc(c(F)c1F)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1cccc(F)n1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1ccsn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ccc(nc1C)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ncc(cc1C)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1cccc(F)c1CNc1ncc(cc1Cl)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1ccccc1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1ccccc1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1cccc(F)n1)C(C)(C)C
CN(Cc1ccccc1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1ccon1)C(C)(C)C
CN(Cc1ccccc1CNc1cc(F)c(nc1C)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN(Cc1ccccc1CNc1ccc(nc1C)S(=O)(=O)Nc1cscn1)C(C)(C)C
CN([C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@@H]1CCN(Cc2ccccc2)C1)c1ncc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@@H]1CN(Cc2ccccc2)CC11CC1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(F)ccc1F)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r,TLB:1:2:9:5.6|
CN([C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1cc(sc1C)S(=O)(=O)Nc1cccc(F)n1 |r,THB:9:8:2:5.4|
CN([C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1cnc(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1cnc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)C(C)(C)c1ccccc1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(C1)C(C)(C)c1ccccc1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)C(C)(C)c1ccccc1)c1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)C1(CC1)c1ccccc1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)C1(CCC1)c1ccccc1F)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)C1CC(C1)c1ccccc1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |wD:2.1,(4.54,2.68,;3.01,2.85,;2.1,1.6,;.56,1.6,;.09,.14,;1.33,-.77,;2.58,.14,;1.33,-2.31,;2.42,-3.4,;1.33,-4.49,;.24,-3.4,;1.33,-6.03,;2.67,-6.8,;2.67,-8.34,;1.33,-9.11,;,-8.34,;,-6.8,;2.38,4.25,;.85,4.41,;.22,5.82,;-1.31,5.98,;1.13,7.07,;2.66,6.91,;3.29,5.5,;4.82,5.34,;.5,8.47,;1.91,9.1,;-.9,7.85,;-.12,9.88,;.78,11.13,;2.32,11.13,;2.8,12.59,;1.55,13.5,;.31,12.59,)|
CN([C@H]1CCN(C1)C1CC(C1)c1ccccc1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |wD:2.1,(7.8,4.51,;6.47,3.74,;6.47,2.2,;5.22,1.29,;5.7,-.17,;7.24,-.17,;7.72,1.29,;8.14,-1.42,;7.82,-2.93,;9.33,-3.25,;9.68,-1.58,;10.17,-4.54,;9.55,-5.94,;10.45,-7.19,;11.98,-7.03,;12.61,-5.62,;11.7,-4.38,;5.14,4.51,;3.8,3.74,;2.47,4.51,;1.13,3.74,;2.47,6.05,;3.8,6.82,;5.14,6.05,;6.47,6.82,;1.13,6.82,;1.9,8.15,;.36,5.48,;-.2,7.59,;-.2,9.13,;1.05,10.03,;.57,11.49,;-.97,11.49,;-1.44,10.03,)|
CN([C@H]1CCN(C1)C1Cc2ccccc2C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(C1)C1Cc2ccccc2C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(C1)[C@@H]1CCc2ccccc12)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)[C@H]1CCc2ccccc12)c1cc(Cl)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(C1)[C@H]1CCc2ccccc12)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(C1)[C@H]1CCc2ccccc12)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)[C@H]1CCc2ccccc12)c1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(C1)[C@H]1C[C@@H](C1)c1ccccc1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |wU:7.7,wD:9.12,2.1,(-1.29,-2.98,;-1.29,-1.44,;-2.63,-.67,;-2.79,.86,;-4.29,1.18,;-5.06,-.15,;-4.03,-1.29,;-6.59,-.31,;-7.56,-1.51,;-8.76,-.54,;-7.79,.66,;-10.29,-.7,;-10.92,-2.11,;-12.45,-2.27,;-13.36,-1.02,;-12.73,.39,;-11.2,.55,;.04,-.67,;1.38,-1.44,;2.71,-.67,;4.04,-1.44,;2.71,.87,;1.38,1.64,;.04,.87,;-1.29,1.64,;4.04,1.64,;4.81,.31,;3.27,2.98,;5.38,2.41,;6.71,1.64,;8.12,2.27,;9.15,1.13,;8.38,-.21,;6.87,.11,)|
CN([C@H]1CCN(C1)[C@H]1C[C@H](C1)c1ccccc1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |wU:9.12,7.7,wD:2.1,(-1.29,-2.98,;-1.29,-1.44,;-2.63,-.67,;-2.79,.86,;-4.29,1.18,;-5.06,-.15,;-4.03,-1.29,;-6.59,-.31,;-7.56,-1.51,;-8.76,-.54,;-7.79,.66,;-10.29,-.7,;-10.92,-2.11,;-12.45,-2.27,;-13.36,-1.02,;-12.73,.39,;-11.2,.55,;.04,-.67,;1.38,-1.44,;2.71,-.67,;4.04,-1.44,;2.71,.87,;1.38,1.64,;.04,.87,;-1.29,1.64,;4.04,1.64,;4.81,.31,;3.27,2.98,;5.38,2.41,;6.71,1.64,;8.12,2.27,;9.15,1.13,;8.38,-.21,;6.87,.11,)|
CN([C@H]1CCN(CC(C)(C)C)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CC2CCCCC2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CCC(C)(C)C)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CCC(C)(C)C)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CCCc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CCOCc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CCc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(CCc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)N(C([O-])=O)c1cscn1
CN([C@H]1CCN(CCc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2c(C)cccc2C)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2c(F)cccc2Cl)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2c(F)cccc2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CN([C@H]1CCN(Cc2c[nH]c3ccccc23)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(C)ccc2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(C)ccc2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cc(C)ccn2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(C)n(C)n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(C)sn2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(Cl)ccc2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(Cl)ccc2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cc(Cl)ccc2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cc(F)cc(F)c2)C1)c1ccc(cc1Cl)S(=O)(=O)N(C([O-])=O)c1ncns1
CN([C@H]1CCN(Cc2cc(F)cc(F)c2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CN([C@H]1CCN(Cc2cc(F)ccc2F)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cc(F)ccc2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(F)ccc2F)C1)c1ccc(c(F)c1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc(F)ccc2F)C1)c1ccc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cc(F)ccc2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CN([C@H]1CCN(Cc2cc(F)ccc2F)C1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cc3CCCCn3n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cc3ccccn3n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(Br)cc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(C)cc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(C)cc2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(C)o2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(C)o2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(C)s2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)N(C([O-])=O)c1cscn1
CN([C@H]1CCN(Cc2ccc(C)s2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(Cl)cc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(F)c(C)c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(F)cc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(O)cc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(o2)C(F)(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc(o2)C(F)(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc3[nH]ccc3c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)N(C([O-])=O)c1cscn1
CN([C@H]1CCN(Cc2ccc3[nH]ccc3c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccc[nH]2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(Br)n2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(C)c2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
CN([C@H]1CCN(Cc2cccc(C)c2F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(C)c2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(C)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(Cl)c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
CN([C@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(F)c2C)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(F)c2F)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(F)c2F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(F)c2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(O)c2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(OC(F)F)c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(c2)C(C)(C)O)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(c2)C(F)(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(c(F)c1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2cccc(n2)C(F)(F)F)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(n2)C(F)(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc(n2)C(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc(n2)N2CCC2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccc3cccnc23)C1)c1cc(F)c(cc1Cl)S(=O)(=O)N(C([O-])=O)c1cscn1
CN([C@H]1CCN(Cc2cccc3cccnc23)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccc3ccncc23)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ccc(F)cn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ccsn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1Br)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C(F)F)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1ccc(F)cn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1ccon1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1ccsn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cnsc1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C1CC1)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ccc(nc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cnc(cc1C(F)F)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cnc(cc1C)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cnc(cc1C)S(=O)(=O)Nc1ccsn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ncc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2)C1)c1ncc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2C(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2C)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2Cl)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2Cl)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
CN([C@H]1CCN(Cc2ccccc2F)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2F)C1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1 |r|
CN([C@H]1CCN(Cc2ccccc2F)C1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2F)C1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccccc2O)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2O)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccc2OC(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccccn2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2cccn2C)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cccs2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccn(C)n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccn(C)n2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccn(CC(F)(F)F)n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccn(CC(F)F)n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccn(n2)C(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccn(n2)C(F)F)C1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2ccnc(c2)C(F)(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ccnn2CC(F)(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)N(C([O-])=O)c1cscn1
CN([C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2coc(C)n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cocn2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2csc(C)n2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2csc(n2)-c2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2csc(n2)C(F)(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2csc(n2)C2CC2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2cscn2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)ccc2F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)ccc2F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2nc(C)ccc2F)C1)c1ccc(c(F)c1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)cn2C)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)co2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)cs2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)oc2C(F)(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(C)oc2C)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2nc(ccc2F)C(F)F)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2nc(cs2)C(F)(F)F)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(cs2)C2CC2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nc(cs2)C2CC2)C1)c1cnc(cc1C)S(=O)(=O)Nc1cscn1 |r|
CN([C@H]1CCN(Cc2nc3ccccc3s2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ncc(Cl)s2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2ncc3ccccn23)C1)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN([C@H]1CCN(Cc2nccs2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1 |r,THB:10:9:3.2.8:5.6|
CN([C@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)c1cc(sc1Cl)S(=O)(=O)Nc1cccc(F)n1 |r|
CN(c1ccc(Cl)cc1)c1ccc(Nc2nccc(N)n2)cc1
CN(c1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)C1(C)CCN(Cc2ccccc2)C1
CN(c1ncns1)S(=O)(=O)c1cc(F)c(OC[C@@H]2CNCCC2c2ccc(Cl)cc2)cc1F |r|
CN1C(=O)[C@]2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
CN1CC(C1)Oc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1
CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
CN1CC2(C1)CN(Cc1cccc(Cl)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C2
CN1CCC(=CC1)c1cc(Cl)cc(F)c1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1 |c:4,(-4.67,-8.6,;-3.33,-7.83,;-2,-8.6,;-.67,-7.83,;-.67,-6.29,;-2,-5.52,;-3.33,-6.29,;.67,-5.52,;2,-6.29,;3.33,-5.52,;4.67,-6.29,;3.33,-3.98,;2,-3.21,;2,-1.67,;.67,-3.98,;-.67,-3.21,;-2,-3.98,;-3.33,-3.21,;-3.33,-1.67,;-2,-.9,;-2,.64,;-.67,1.41,;.67,.64,;.67,-.9,;-.67,-1.67,;-.67,2.95,;-2.21,2.95,;.87,2.95,;-.67,4.49,;-2,5.26,;-3.47,4.78,;-4.37,6.03,;-3.47,7.27,;-4.24,8.6,;-2,6.8,)|
CN1CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F |c:4|
CN1CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |c:4|
CN1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |c:4|
CN1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |c:4|
CN1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |c:4|
CN1CCC(=CC1)c1ccc(cc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F |c:4|
CN1CCC(CC1)c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
CN1CCC(CNc2nn(C)c3cc(ccc23)-c2cccc(F)c2OCC(F)(F)F)CC1
CN1CCC([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
CN1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1
CN1CCN(CC1)c1cc(OC(F)(F)F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN1CCN(CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
CN1CCN(CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
CN1CCN(CC1)c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccc(C)cc1C |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccccc1 |r|
CN1CCN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)CC1
CN1CCN(c2ccc(cc2Cl)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
CN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
CN1Cc2ccccc2[C@@H](N=C1CCc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F |r,c:11|
CN1Cc2ccccc2[C@@H](N=C1OCc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 |r,c:11|
CN1Cc2ccccc2[C@H](N=C1CCc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F |r,c:11|
CN1Cc2ccccc2[C@H](N=C1OCc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 |r,c:11|
CN=C(N)NC(=O)Nc1c(C)cccc1C
CN=C(NCCCCc1ccccc1)NC(=O)c1ccc(C)cc1 |w:1.0|
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CNC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2NCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
CNC(=O)c1cc(NC(=O)[C@@H]2O[C@@](C)(C[C@H]2c2ccc(F)c(Cl)c2OC)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@@H]2O[C@@](C)([C@@H](C)[C@H]2c2ccc(F)c(F)c2OC(F)F)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@@H]2O[C@](C)(C[C@H]2c2ccc(F)c(Cl)c2OC)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@@H]2O[C@](C)([C@@H](C)[C@H]2c2ccc(F)cc2OC(F)F)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@H]2O[C@@](C)(C[C@@H]2c2ccc(F)c(Cl)c2OC)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@H]2O[C@@](C)([C@H](C)[C@@H]2c2ccc(F)cc2OC(F)F)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@H]2O[C@](C)(C[C@@H]2c2ccc(F)c(Cl)c2OC)C(F)(F)F)ccn1
CNC(=O)c1cc(NC(=O)[C@H]2O[C@](C)([C@H](C)[C@@H]2c2ccc(F)c(F)c2OC(F)F)C(F)(F)F)ccn1
CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
CNC1CCN(C1)c1c(F)cccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1cc(Cl)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cc(C)on1
CNC1CCN(C1)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cnccn1
CNC1CCN(C1)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cncnc1
CNC1CCN(C1)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)cn1
CNC1CCN(C1)c1cc(F)ccc1Nc1ccc(cc1)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1cc(OC)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1cc(ccc1Nc1ccc(c(F)c1)S(=O)(=O)Nc1cscn1)C(F)(F)F
CNC1CCN(C1)c1ccccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1ccccc1Nc1ccc(c(F)c1)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1ccccc1Nc1ccc(cc1)S(=O)(=O)Nc1cscn1
CNC1CCN(C1)c1ccccc1Nc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1
CNCCCN1c2ccccc2CCc2ccccc12
CNCCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccccn1
CNCCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(Cl)s1
CNCCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1
CNCCN(C)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccc(F)cn1)C#N
CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C#N
CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F
CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)cn1)C#N
CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CNCCN(C)c1ccccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CNCCN(C)c1ccccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)cn1
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNCC[C@](O)([C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC)c1cccc2ccccc12 |r|
CNCC[C@](O)([C@H](c1ccccc1)c1ccc(nc1OC)-c1ccc(Cl)cc1)c1cccc2ccccc12 |r|
CNCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F
CNS(=O)(=O)NC(=O)c1ccc(c(OC)c1)-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1
CN[C@@H]1CCCN(C1)c1cc(F)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN[C@@H]1CCCN(C1)c1cc(F)ccc1Nc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
CN[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:5.5,2.1,(27.81,-33.45,;26.5,-32.64,;26.55,-31.1,;25.25,-30.29,;25.3,-28.76,;26.65,-28.04,;27.42,-26.71,;28.96,-26.72,;29.72,-28.06,;31.26,-28.06,;32.03,-26.74,;33.56,-26.74,;34.33,-25.41,;34.33,-28.09,;33.55,-29.41,;32.02,-29.41,;31.24,-30.73,;35.87,-28.09,;36.28,-26.6,;37.37,-27.7,;36.63,-29.43,;38.17,-29.43,;39.08,-28.19,;40.54,-28.67,;40.54,-30.21,;39.07,-30.68,;27.96,-28.83,;27.91,-30.38,;25.55,-26.94,;25.96,-25.43,;24.86,-24.33,;23.35,-24.73,;22.95,-26.25,;24.05,-27.34,)|
CN[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:2.1,wD:5.5,(49.31,-32.69,;48,-31.88,;48.05,-30.34,;46.75,-29.52,;46.8,-27.99,;48.15,-27.28,;48.93,-25.95,;50.46,-25.96,;51.23,-27.29,;52.76,-27.3,;53.53,-25.98,;55.06,-25.98,;55.83,-24.65,;55.83,-27.32,;55.06,-28.65,;53.52,-28.64,;52.74,-29.97,;57.37,-27.32,;57.78,-25.83,;58.87,-26.94,;58.14,-28.66,;59.67,-28.67,;60.58,-27.43,;62.04,-27.91,;62.04,-29.45,;60.57,-29.92,;49.46,-28.07,;49.41,-29.61,;47.05,-26.17,;47.46,-24.67,;46.36,-23.57,;44.86,-23.97,;44.45,-25.48,;45.56,-26.58,)|
CNc1c(F)c(cc(C)c1[C@@H]1CCN(Cc2ccccc2O)C1)S(=O)(=O)Nc1cscn1
CNc1nc(cn1C(=O)OC(C)(C)C)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
CNc1nc(cn1C(=O)OC(C)(C)C)-c1cccc(NC(=O)c2ccco2)c1
CNc1nn(C)c2cc(ccc12)-c1cccc(F)c1OCC(F)F
CNc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
COC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F
COC(=O)c1cc(NC(=O)[C@@H]2O[C@](C)([C@@H](C)[C@H]2c2ccc(F)c(F)c2O)C(F)(F)F)ccn1 |r|
COC(=O)c1cccc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c1
COC(=O)n1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
COC(C)(C)C1CN(Cc2ccccc2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
COC(C)(C)[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC(C)(C)[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1
COC1(C)CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
COC1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O
COC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:30:21:28:24.25.26,THB:20:21:28:24.25.26,30:25:28:21.29.22,29:21:24:28.27.26,29:27:24:21.30.22|
COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
COC1CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
COC1CN(Cc2cccc(F)c2CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)C1
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
COCC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1
COCC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
COCC1(CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)CC1)c1ccc(F)cc1
COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
COCCCCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
COCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
COCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
COCCCOc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
COCCCOc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
COCCCOc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
COCCCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
COCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
COCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
COCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
COCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r|
COCCN(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
COCCN1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O
COCCNc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(CCNCc2cc(ccn2)-c2cc(ccc2Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)-c2cccc(c2)C(F)(F)F)CC1
COCCOc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
COCCOc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
COCCOc1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1
COCCOc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
COCCOc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(cc2C)C(F)(F)F)c1N
COCCOc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(cc2F)C(F)(F)F)c1N
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:28:19:26:22.23.24,THB:18:19:26:22.23.24,28:23:26:19.27.20,27:19:22:26.25.24,27:25:22:19.28.20|
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
COCCS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:25:16:23:19.20.21,THB:25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17,15:16:23:19.20.21|
COCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
COCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
COCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
COCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r|
COC[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(c1)C(F)(F)F |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1 |r|
COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccccc1 |r|
COC[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
COC[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(c1)C(F)(F)F |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1 |r|
COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccccc1 |r|
COC[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
COC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
COC[C@H]1CCCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
COC[C@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
COCc1ccc(F)c(c1)[C@H](C)Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
COCc1ccc(F)c(c1)[C@H](C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
COCc1cccc(F)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
COCc1onc(c1NC(=O)OCc1ccccc1Cl)-c1c(Cl)cccc1Cl |(30.29,-24.05,;29.38,-25.3,;30.01,-26.7,;29.11,-27.95,;27.57,-27.96,;27.1,-29.42,;28.35,-30.33,;29.59,-29.42,;31.06,-29.89,;32.38,-29.09,;32.35,-27.55,;33.73,-29.84,;35.05,-29.04,;36.39,-29.79,;36.41,-31.33,;37.76,-32.08,;39.08,-31.28,;39.05,-29.73,;37.7,-29,;37.66,-27.46,;28.35,-31.87,;27.03,-32.64,;25.69,-31.87,;27.02,-34.19,;28.36,-34.96,;29.69,-34.19,;29.69,-32.64,;31.02,-31.86,)|
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:20.22,2.1,(19.4,-3.02,;19.4,-4.56,;20.74,-5.33,;21.14,-6.82,;22.62,-6.41,;22.23,-4.93,;23.96,-7.18,;25.29,-6.4,;25.28,-4.85,;26.62,-4.08,;26.62,-2.54,;27.95,-4.85,;29.29,-4.08,;27.95,-6.39,;26.62,-7.16,;29.28,-7.16,;29.28,-8.71,;30.61,-9.48,;31.94,-8.71,;33.28,-9.49,;34.63,-8.72,;35.96,-9.49,;37.3,-8.72,;38.63,-9.5,;38.63,-11.04,;39.97,-8.73,;34.63,-7.16,;33.28,-6.38,;31.94,-7.16,;30.61,-6.39,)|
COc1c(C)c(F)ccc1[C@@H]1C[C@@H](O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(C)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(C)c(F)ccc1[C@H]1C[C@H](O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(C)c(F)ccc1[C@H]1C[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(Cl)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(Cl)c(F)ccc1[C@H]1C[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(Cl)c(F)ccc1[C@H]1C[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1C1[C@@H](C)[C@H](O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F |r|
COc1c(F)c(F)ccc1[C@@H]1C[C@@H](O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)(C)C
COc1c(F)c(F)ccc1[C@@H]1C[C@@H](O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1C[C@@](C)(CC(F)(F)F)O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccc(F)c(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)(F)F
COc1c(F)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1C[C@](C)(CC(F)(F)F)O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@@H]1C[C@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@@H](C)C(C)(C)O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@@H]1[C@@H](C)C(C)(C)O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@@H]1[C@@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@@H](C)[C@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)C(C)(C)O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@H](O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)C
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@H](O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F |r|
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)F
COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@H](C)O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@@H]1[C@H](O[C@@](C)([C@@H]1C1CC1)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@H]1C[C@@](C)(CC(F)(F)F)O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@H]1C[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)(F)F
COc1c(F)c(F)ccc1[C@H]1C[C@H](O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)(C)C
COc1c(F)c(F)ccc1[C@H]1C[C@H](O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@H]1C[C@](C)(O[C@@H]1C(=O)Nc1ccc(F)c(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@H]1C[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)(F)F
COc1c(F)c(F)ccc1[C@H]1C[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@H]1[C@@H](C)C(C)(C)O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@H]1[C@@H](C)[C@@H](C)O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@H]1[C@@H](C)[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)F
COc1c(F)c(F)ccc1[C@H]1[C@@H](O[C@](C)([C@H]1C1CC1)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@H]1[C@H](C)C(C)(C)O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O
COc1c(F)c(F)ccc1[C@H]1[C@H](C)[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(F)c(F)ccc1[C@H]1[C@H](C)[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)F
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r|
COc1c(ccc(F)c1C(F)F)[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1c(ccc(F)c1C(F)F)[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(-c2cc(C)cc(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2cc(C)cc(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cc(C)cc(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cc(C)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2cc(C)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cc(C)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cc(F)cc(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C#N
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(C)c(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(C)c(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(C)c(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(C)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(C)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(C)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(Cl)c(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(Cl)c(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(Cl)c(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(Cl)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(Cl)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(Cl)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(F)c(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(F)c(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(F)c(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(F)c(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(F)c(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(F)c(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(F)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(F)c(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(F)cc2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(F)cc2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(F)cc2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2ccc(cc2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2ccc(cc2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2ccc(cc2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cccc(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2cccc(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cccc(C)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cccc(Cl)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cccc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2cccc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cccc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C#N
COc1cc(-c2cccc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cccc(F)c2)c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cccc(F)c2)c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N
COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)C#N
COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N
COc1cc(-c2cccc(c2)C(F)(F)F)c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(-c2cn(C)c3cc(ccc23)S(=O)(=O)Nc2ncns2)c(F)cn1
COc1cc(-c2nnc([nH]2)S(=O)(=O)C2CCC2)c(F)cc1-c1cnc(OCC(C)C)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OC2CCC2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OCC2(C)CC2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OCc2nc3ccccc3s2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(O[C@H](C)Cc2ccccc2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(O[C@H](C)c2ccccc2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(O[C@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 |THB:20:21:24.25:27|
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2c(C)cc(Cl)cc2Cl)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(Cl)ccc2C)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)cc(F)c2Cl)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)cc(F)c2F)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(C)c(F)c2)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(F)c(F)c2F)c(Cl)c1
COc1cc(C(F)F)c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(C(F)F)c(F)cc1-c1nc(C)nc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(C(F)F)c(F)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1cscn1
COc1cc(C(F)F)c(F)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(C(F)F)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C1CC1
COc1cc(C)c(cn1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(C)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(CC(C)(C)C)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Cl)c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(Cl)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(Cl)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
COc1cc(Cl)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C#N
COc1cc(Cl)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(Cl)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
COc1cc(Cl)cc(c1)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1 |(,-13.86,;,-12.32,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,)|
COc1cc(Cl)ccc1-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1cc(Cl)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1cc(Cl)ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1cc(Cl)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(Cl)ccc1N1C[C@@H](C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1 |r|
COc1cc(Cl)ccc1N1C[C@H](C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1 |r|
COc1cc(Cl)cnc1N1CC(C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(F)c(cc1-c1cc(C)c(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1cc(F)cc(c1)-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(F)ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
COc1cc(F)ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1cc(F)ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1cc(F)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(F)ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(F)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(F)ccc1[C@@H]1C[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@@H]1[C@@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@@H]1[C@@H](C)[C@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@@H]1[C@H](C)[C@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@H]1C[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@H]1C[C@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@H]1[C@@H](C)[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@H]1[C@H](C)[C@@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(F)ccc1[C@H]1[C@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1cc(NS(=O)(=O)c2ccc3c(nccc3c2)-c2ccc(cc2OC)-c2cc(F)cc(F)c2)ncn1
COc1cc(OC(F)(F)F)ccc1CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
COc1cc(OC)cc(c1)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1cc(OCC(C)C)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2cc(C)cc(C)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2cc(C)cc(F)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2cc(C)ccc2F)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1cc(Oc2cc(F)ccc2F)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1cc(Oc2ccc(C)c(C)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2ccc(C)c(F)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2ccc(C)c(F)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1cc(Oc2ccc(F)c(F)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2ccc(F)cc2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2ccc(F)cc2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1cc(Oc2cccc(C)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2cccc(F)c2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(Oc2ccccc2C)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(c(C)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cc(F)c1
COc1cc(c(C)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1ccc(F)c(F)c1
COc1cc(c(C)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
COc1cc(c(C)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)n1
COc1cc(c(C)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(F)c1
COc1cc(c(C)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;,-12.32,;1.33,-10.01,)|
COc1cc(c(Cl)cc1-c1[nH]c(=O)cc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1c(N)nnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(.67,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-2,3.08,;-2,1.54,;-3.33,.77,;-3.33,5.39,;-4.67,6.16,;-4.67,4.62,;-2,6.16,;-.67,5.39,;.8,5.87,;1.7,4.62,;.8,3.37,;-.67,3.85,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;6,-3.08,;3.33,-3.08,)|
COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;6.55,-5.49,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)|
COc1cc(c(Cl)cc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncc(C#N)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncc(O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(c(F)cc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1
COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cc(F)c1
COc1cc(c(Cl)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.33,3.08,;-5.33,4.62,;-4,5.39,;-2.67,4.62,;-2.67,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)|
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(cc1)C(F)(F)F
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(C)c1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cc(F)c1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1ccc(F)c(F)c1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(c(F)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
COc1cc(c(F)cc1-c1nn(C)c(=O)c2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(c1)C(F)(F)F
COc1cc(c(F)cc1-n1c2cc(F)c(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncns1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.76,3.22,;-3.23,4.68,;-4.77,4.68,;-5.25,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cn1)-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1cc(c(OC)cc1C(F)F)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cc(c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N)-c1cc(C)c(C)cc1C
COc1cc(c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C#N)-c1ccccc1C
COc1cc(c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N)-c1cc(F)cnc1OC
COc1cc(c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N)-c1ccccc1C
COc1cc(c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N)-c1cc(F)cnc1OC
COc1cc(c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N)-c1ccccc1C
COc1cc(c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1)C#N)-c1cc(F)cnc1OC
COc1cc(c(cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N)-c1cc(F)cnc1OC
COc1cc(cc(OC)c1OC)C(=O)NC(N)=NCCCCc1ccccc1 |w:17.18|
COc1cc(cc(OC)c1OC)N=C(N)NC(=O)c1ccc(C)cc1 |w:12.12|
COc1cc(ccc1-c1cc(Cl)nc(Oc2cc(Cl)cc(Cl)c2)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cccc2CCN(Cc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1cccc2CN(CC(C)c12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C1CC1
COc1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1nncs1)-c1ccc(F)c(F)c1
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1cscn1)C(F)(F)F
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C#N
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1ccnc2cc(c(C)cc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1ccnc2cc(c(F)cc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cnc1OC
COc1cc(ccc1-c1cnc(COc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(N2CCC[C@H]2C(C)C)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(OC2CCC2)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(OCC(C)C)c(Cl)c1)-c1nnc([nH]1)S(=O)(=O)C1CCC1
COc1cc(ccc1-c1cnc(OCC(C)C)c(Cl)c1)-c1nnc([nH]1)S(=O)(=O)N1CCC1
COc1cc(ccc1-c1cnc(OCC(C)C)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(OCC2(C)CC2)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(OCc2ccccc2Cl)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2c(C)cc(Cl)cc2Cl)c(c1)C#N)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(C)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(c1)C#N)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(c1)C(F)(F)F)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(c1)C(F)F)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cnc2OC)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnc(Sc2cccc(C)c2)c(Cl)c1)C(=O)NS(C)(=O)=O
COc1cc(ccc1-c1cnnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1nc(C)nc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1nc(C)nc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)F
COc1cc(ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1ncc(O)c2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1nccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1nccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C1CC1
COc1cc(ccc1-c1nccc2cc(c(F)cc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cc(C)ncn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccnc(C)n1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1c(F)cccc1F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(C)cc(C)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(C)cc(Cl)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(C)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(F)cc(Cl)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(F)cc(c1)C#N
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(F)ccc1F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(C)c(C)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(C)c(Cl)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(C)c(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(C)cc1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(Cl)c(C)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(Cl)c(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(F)c(C)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(F)c(Cl)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(F)c(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(F)c(c1)C#N
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(F)cc1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(F)cc1F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(C)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccccc1C
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccccc1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccsn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cnsn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cscn1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nc(C)ns1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nc(Cl)cs1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nc(cs1)C#N)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(C)cnc1OC
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cnc1OC
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1ccccc1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-n1ccc2ccccc12
COc1cc(ccc1-c1nccc2cc(cnc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1ncnc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
COc1cc(ccc1-c1ncnc2CN(CCc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cc(F)c1
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1ccc(F)c(F)c1
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;4,-10.01,;4,-11.55,;5.33,-12.32,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-9.24,;,-7.7,)|
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)|
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1nccs1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;2.67,-10.78,;1.13,-9.24,;4.21,-9.24,)|
COc1cc(ccc1C)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1 |(5.33,-13.86,;5.33,-12.32,;4,-11.55,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,)|
COc1cc(ccc1C1N(CCc2cc(ccc12)S(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(C)=O)-c1cccc(F)c1
COc1cc(ccc1CN1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
COc1cc(ccc1COCC(O)CN1CCC(CC1)C(=O)Nc1ccccc1)C(F)(F)F
COc1cc(ccc1Cl)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cccnn1 |(6.67,-11.55,;5.33,-12.32,;4,-11.55,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.33,3.08,;-5.33,4.62,;-4,5.39,;-2.67,4.62,;-2.67,3.08,)|
COc1cc(ccc1Cl)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1 |(6.67,-11.55,;5.33,-12.32,;4,-11.55,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,)|
COc1cc(ccc1F)-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cc(ccc1N1C(=O)COc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1N1CC(C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
COc1cc(ccc1N1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1nccs1)C#N
COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)-c1cccc(F)c1
COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1N1C[C@@H](C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N |r|
COc1cc(ccc1N1C[C@H](C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N |r|
COc1cc(ccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
COc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
COc1cc(ccc1[C@@H]1N(CCc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(C)=O)C(F)(F)F
COc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
COc1cc(ccn1)-c1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cn2)c1N
COc1cc(cnc1OCC(C)C)-c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
COc1cc(cnc1OCC(C)C)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
COc1cc2NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn3-c2cc1F
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CC1)C(C)C
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CCO)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCC(CC1)N(C)C
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(CCO)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(=O)[C@@H](C)O |r|
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(C)C
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)S(C)(=O)=O
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CCO)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCS(=O)(=O)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1C[C@H](C)N[C@H](C)C1 |r|
COc1cc2nnc(n2cc1-c1ccc(OC(F)(F)F)cc1)C(F)(F)F
COc1ccc(-c2cn(C)c3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
COc1ccc(-c2cn(C)c3cc(ccc23)S(=O)(=O)Nc2ncns2)c(OC)c1
COc1ccc(-c2cn(C)c3cc(ccc23)S(=O)(=O)Nc2ncns2)c2ccccc12
COc1ccc(C#N)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(C)nc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1
COc1ccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)cc1
COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1Cl
COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1F
COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)cc1F |r|
COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1 |r|
COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(Cl)c1 |r|
COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1OC |r|
COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1ncc(F)s1
COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccc(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccc(F)c(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c1
COc1ccc(F)c(CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)c1CN(C)C(C)C
COc1ccc(F)c(CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)c1CN1C2CCC1CC2
COc1ccc(F)c(CNc2cc(F)c(cc2C)S(=O)(=O)Nc2cscn2)c1CN(C)C(C)C
COc1ccc(F)c(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c1CN(C)C(C)C
COc1ccc(F)c(CNc2ccc(c(F)c2F)S(=O)(=O)Nc2cscn2)c1CN(C)C(C)C
COc1ccc(F)c(CNc2ccc(c(F)c2F)S(=O)(=O)Nc2cscn2)c1CN1C2CCC1CC2
COc1ccc(F)c(c1)[C@H](C)Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
COc1ccc(F)c(c1)[C@H](C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
COc1ccc(F)cc1-c1cc(OC)c(cc1C#N)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1ccc(F)cc1-c1cc(OC)c(cc1C)-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccon1
COc1ccc(F)cc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
COc1ccc(F)cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(OC)c1
COc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
COc1ccc(OC)c(c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
COc1ccc(OC)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(OCC(F)(F)C(F)(F)F)c(c1)-c1ccc2c(N)nn(C)c2c1
COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
COc1ccc(Oc2ccc(c(OC)c2)-c2nccc3cc(ccc23)S(=O)(=O)Nc2ccncn2)cc1
COc1ccc(c(OC)c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
COc1ccc(cc1)-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
COc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc21
COc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:13.14|
COc1ccc(cc1)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
COc1ccc(cc1)C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
COc1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
COc1ccc(cc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1ccc(cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(c1)C(F)(F)F
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(c1)C(F)(F)F
COc1ccc(cc1C#N)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccc(cc1C#N)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(cc1C(F)(F)F)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(OC(F)(F)F)ccc1-n1cccc21
COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(OC(F)F)ccc1-n1cccc21
COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(ccc1-n1cccc21)C(F)(F)F
COc1ccc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1ccc(cc1OC)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccc(cn1)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccc-2c(NC3(CC4CN(CC4C3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
COc1ccc-2c(NC3(CCC(CC3)NC(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 |(2.7,-10.77,;4.03,-9.99,;5.36,-10.76,;5.36,-12.31,;6.7,-13.08,;8.03,-12.3,;8.03,-10.76,;9.36,-9.98,;10.7,-10.76,;12.03,-11.53,;13.36,-10.76,;13.36,-9.23,;12.03,-8.46,;10.7,-9.22,;14.7,-8.46,;14.7,-6.92,;13.37,-6.15,;16.04,-6.16,;16.04,-4.62,;17.37,-3.85,;18.71,-4.63,;20.04,-3.86,;21.37,-4.63,;18.7,-6.17,;17.37,-6.93,;20.03,-6.94,;20.03,-8.48,;21.37,-6.18,;10.7,-12.31,;11.84,-13.35,;11.21,-14.76,;9.67,-14.59,;9.36,-13.08,;6.69,-9.99,)|
COc1ccc-2c(NC3(CCCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)OCc3ccccc3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cc(C)cc(C)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(C#N)c(OC)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(C)cc3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(Cl)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(OC)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(Cl)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N3CCCC3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)N(C)C)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4OCCN(C)c4c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4ccccc4n3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4cccnc4c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ccc4c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ncc4c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4ncccc4c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(C)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(Cl)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(OC)c3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(c3)C#N)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc4ncccc34)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccccc3Br)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccccc3OC)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(Cc4ccc(cc4)C#N)CC3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(Cc4cccc(c4)C#N)CC3)c3cccn-23)c1
COc1ccc-2c(NC3(CCN(Cc4ccccc4)CC3)c3cccn-23)c1
COc1ccc-2c(NC3(CN(C3)C(=O)c3ccc4ncccc4c3)c3cccn-23)c1
COc1ccc-2c(N[C@@]3(CCN(C[C@@H]3C)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 |r|
COc1ccc-2c(N[C@]3(CCN([C@H](C)C3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 |r|
COc1ccc2[nH]cc(CCN=C(N)NC(=O)c3ccc(C)cc3)c2c1 |w:11.10|
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15|
COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)(F)F
COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)F
COc1cccc(CN2CCC(C)(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)n1
COc1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
COc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
COc1cccc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c1
COc1cccc(CN2CC[C@@H](C2)N(C)c2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)n1
COc1cccc(F)c1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F
COc1cccc(OC)c1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |(-.15,-7.55,;-.15,-6.01,;1.18,-5.24,;2.52,-6.01,;3.85,-5.24,;3.85,-3.7,;2.52,-2.93,;2.52,-1.39,;3.85,-.62,;1.18,-3.7,;-.15,-2.93,;-1.48,-3.7,;-2.82,-2.93,;-2.82,-1.39,;-1.48,-.62,;-1.48,.92,;-.15,1.69,;1.18,.92,;1.18,-.62,;-.15,-1.39,;-.15,3.23,;-1.69,3.23,;1.39,3.23,;-.15,4.77,;-1.48,5.54,;-2.95,5.06,;-3.85,6.31,;-2.95,7.55,;-1.48,7.08,)|
COc1cccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)c1
COc1cccc(Oc2ccc(c(OC)c2)-c2nccc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c1
COc1cccc(c1)-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1cccc(c1)C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
COc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
COc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
COc1cccc2[nH]cc(CCN=C(N)NC(=O)c3ccc(C)cc3)c12 |w:12.11|
COc1ccccc1-c1c(cnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N |(-1.33,2.31,;,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;4,2.31,;2.67,1.54,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;-2.67,-3.08,;-1.9,-4.41,;-3.44,-1.75,;-4,-3.85,;-5.33,-3.08,;-6.74,-3.71,;-7.77,-2.56,;-7,-1.23,;-5.5,-1.55,;5.33,,;6.67,.77,)|
COc1ccccc1-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1ccccc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccccc1-c1cncc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1ncns1
COc1ccccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccccc1-n1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
COc1ccccc1-n1ncc(C(=O)N2CCc3cc(Cl)ccc23)c1N
COc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
COc1ccccc1C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
COc1ccccc1CN1CC[C@@H](C1)N(C)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
COc1ccccc1CN1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
COc1ccccc1C[C@@H](C)Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
COc1ccccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
COc1ccccc1SC[C@@H](C)CN[C@@H]1COc2ccccc2SC1 |r|
COc1cccnc1CN1CC[C@@H](C1)N(C)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
COc1cccnc1CN1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)N(C([O-])=O)c1cscn1
COc1cccnc1CN1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
COc1ccncc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r|
COc1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(OC)c1
COc1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(OC)n1
COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1ccc(Cl)cc1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1cncc(c1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
COc1cncc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1cnccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1nc(-c2ccc(cc2OC)C(F)(F)F)c2ccc(cc2n1)S(=O)(=O)Nc1nccs1
COc1nc(N2CC(F)(F)C2)c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1nc(N2CCC(F)(F)C2)c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1nc(N2CCC(F)(F)CC2)c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
COc1nc(NC2CCCCC2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1nc(OCC2CCC(F)(F)CC2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1nc(OCC2CCCCC2)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
COc1nc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cccc(F)c1
COc1nc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1nc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1nc(ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F)C(F)(F)F
COc1nc(ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F)C(F)(F)F
COc1ncc(Cl)cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
COc1ncc(cc1-c1c(C)cc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r,wU:18.26,19.27,wD:15.16,(-2.67,8.32,;-2.67,6.78,;-1.33,6.01,;,6.78,;1.33,6.01,;1.33,4.47,;,3.7,;-1.33,4.47,;-2.67,3.7,;-4,4.47,;-4,6.01,;-5.33,3.7,;-5.33,2.16,;-4,1.39,;-2.67,2.16,;-1.33,1.39,;.13,1.87,;1.04,.62,;.13,-.62,;.13,-2.16,;-1.33,-2.64,;-2.24,-1.39,;-3.78,-1.39,;-1.33,-.15,;1.46,-2.93,;2.8,-2.16,;4.13,-2.93,;4.13,-4.47,;2.8,-5.24,;1.46,-4.47,;2.8,-6.78,;1.46,-7.55,;4.13,-7.55,;2.8,-8.32,;5.47,-2.16,;6.8,-2.93,;5.47,-.62,;6.8,-1.39,;-6.67,1.39,;-8,2.16,;-6.67,-.15,;-8,.62,;2.67,3.7,;2.67,2.16,;4,1.39,;5.33,2.16,;5.33,3.7,;4,4.47,;4,6.01,;6.67,1.39,;8,2.16,;6.67,-.15,)|
COc1ncc(cc1-c1ncc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1F)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1ncc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cc(C)cnc1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1ncc(cn1)-c1ccc(C)nc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(C#N)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(C)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(OC(F)F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(OC)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccnc1C(C)CNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccnc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1
COc1ncccc1-c1c(NC(=O)c2cccc(c2)-c2ccccn2)cccc1C(F)(F)F |(16.5,-26.79,;16.5,-28.33,;15.17,-29.09,;13.83,-28.33,;12.5,-29.1,;12.5,-30.64,;13.84,-31.41,;15.16,-30.64,;16.49,-31.41,;17.82,-30.64,;17.83,-29.1,;19.15,-28.32,;20.49,-29.09,;19.14,-26.78,;20.48,-26.02,;20.48,-24.48,;19.14,-23.71,;17.8,-24.49,;17.81,-26.03,;16.47,-23.73,;16.46,-22.19,;15.12,-21.43,;13.79,-22.21,;13.81,-23.76,;15.14,-24.51,;19.16,-31.4,;19.16,-32.95,;17.83,-33.72,;16.49,-32.95,;15.15,-33.72,;16.24,-34.8,;14.75,-35.2,;13.82,-32.95,)|
COc1ncccc1-c1cc(ccc1Oc1cnc(OC(C)C)c(Cl)c1)C(=O)NS(=O)(=O)N1CCC1
COc1ncccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
COc1ncccc1-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CS(=O)(=O)C1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
CS(=O)(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)CCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
CS(=O)(=O)CCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CS(=O)(=O)CCc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
CS(=O)(=O)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
CS(=O)(=O)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
CS(=O)(=O)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
CS(=O)(=O)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
CS(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2C3CCC2CC(C3)Oc2cc(cc(Cl)c2F)C(F)(F)F)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)OCc2ccc(F)cc2Cl)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:15:16:22:19.18.26,THB:17:16:22:19.18.26,17:18:22:16.27.21,27:16:19:22.25.26,27:25:19:16.17.21|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(C)(=O)=O)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(c(Cl)c3)C(F)(F)F)CC2)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3Cl)CC2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3F)CC2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cnc(OCC(F)(F)F)c(Cl)c3)CC2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3nc(no3)-c3ccccc3Cl)CC2)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2cccc(F)c2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)S(=O)(=O)c2ccccc2)cc1F
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccncc2)cc1F |r|
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2cccc(c2)C#N)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccccc2Cl)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccccc2F)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccccn2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2cccnc2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccncc2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)c2cc(c(Cl)cn2)C(F)(F)F)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3cc(F)cc(Cl)c3)C2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccc(Cl)c(F)c3)C2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccc(c(F)c3)C(F)(F)F)C2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3cccc(F)c3)C2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccccc3)C2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3)C(=O)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3)C(=O)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(cc(Cl)c2F)C(F)(F)F)cc1F |r,THB:24:23:22.16.17:19.20|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(ccc2Cl)C(F)(F)F)cc1F |r,THB:24:23:22.16.17:19.20|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)S(C)(=O)=O)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)[C@@H](c2ccc(F)cc2Cl)C(F)(F)F)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)[C@H](c2ccc(F)cc2Cl)C(F)(F)F)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)c2ccc(cn2)C(F)(F)F)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(CC3(CCC3)C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(CC3(CCCC3)C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(CC3CCC4(CCC4)CC3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(F)ccc3C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(c(Cl)c3)C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(cc3)-c3ccccc3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(cc3Cl)S(C)(=O)=O)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc4OCCOc4c3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(c3)-c3ccccc3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(c3)C(F)(F)F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccccc3-c3ccccc3)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CN(Cc3ccc(F)cc3Cl)CC(F)(F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CC3C4CCC(C4)C3C2)cc1F |TLB:15:16:21:18.19,THB:23:22:21:18.19|
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@H]2CN(Cc3ccc(F)cc3Cl)CC(F)(F)C2)cc1F |r|
CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-c1cnc(Oc2c(Cl)cccc2Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-c1cnc(Oc2cc(F)cc(F)c2Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-c1cnc(Oc2cc(F)cc(F)c2F)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-c1cnc(Oc2cc(F)ccc2Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-c1cnc(Oc2ccc(F)c(F)c2F)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F
CS(=O)(=O)NC(=O)c1cc(F)c(Oc2ccc(Cl)c(Cl)c2)cc1F
CS(=O)(=O)NC(=O)c1cc(F)c(cc1F)-c1ccc(Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(Br)c1 |TLB:22:13:20:16.17.18,THB:12:13:20:16.17.18,22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14|
CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
CS(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(Cl)c(c3)C(F)(F)F)nccc2c1
CS(=O)(=O)NC(=O)c1ccc2c(nccc2c1)-c1ccc(c(Cl)c1)C(F)(F)F
CS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:22:13:20:16.17.18,THB:12:13:20:16.17.18,22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14|
CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1
CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1 |TLB:22:13:20:16.18.17,16:17:21:15.20.14,THB:22:17:20:21.13.14,16:15:21:22.18.17,12:13:20:16.18.17|
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@@H]3CC[C@H](C3)c3ccccc3)CC(=O)c2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)CCc2c1
CS(=O)(=O)c1ccc2OC3(CCc2c1)CCCN(CC3)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
CS(=O)(=O)c1cccc(c1)[C@H]1CN(CC(F)(F)F)CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cccc(F)n1 |r|
CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r|
CSc1c(C#N)c(=O)c2ccc(F)cc2n1-c1c(Cl)cccc1Cl |(4.67,-.77,;3.33,0,;2,-.77,;2,-2.31,;3.33,-3.08,;4.67,-3.85,;.66,-3.08,;.66,-4.62,;-.67,-2.31,;-1.99,-3.08,;-3.33,-2.31,;-3.33,-.77,;-4.67,0,;-2,0,;-.67,-.77,;.66,0,;.66,1.54,;-.67,2.31,;-2,1.54,;-.67,3.85,;.67,4.62,;2,3.85,;2,2.32,;3.34,1.55,)|
CSc1ccc(cc1)[C@H]1N=C(OCc2ccc(NS(C)(=O)=O)cc2)N(C)Cc2ccccc12 |r,t:10|
CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
C[C@@H](N1C2CCC1CC2)c1c(F)ccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
C[C@@H](N1CC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1 |r|
C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(F)c1 |r|
C[C@@H](N1CCC(CC1)N(C)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1cnc(cc1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1ncc(cc1C)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1ncc(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1sc(nc1C)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)N(C)c1sc(nc1C)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1F |r|
C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(c(F)c1F)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1ccon1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(Cl)ccc1F |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C(F)F |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C1CC1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncc(F)cn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cnc(c(F)c1C)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cnc(c(F)c1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1cnc(cc1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CCC(CC1)Oc1ncc(cc1C)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)(CC1)C#N)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1F |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)cc1Cl |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC(F)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCC1)c1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1ccc(F)cc1 |r|
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C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1Cl |r|
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C[C@@H](N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)C[C@@H]1C)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)C[C@H]1C)c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](N1CC[C@@H](C1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1 |r|
C[C@@H](N1CC[C@@H](C1)N(C)c1ccc(cc1Cl)S(=O)(=O)Nc1c[nH]cn1)c1ccccc1 |r|
C[C@@H](N1CC[C@@H](C1)N(C)c1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@@H](N1CC[C@@H](C1)N(C)c1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@@H](N1CC[C@@H](C1)N(C)c1cnc(cc1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
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C[C@@H](N1C[C@@H]2C[C@@H](Oc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)[C@H]1C2)c1ccc(F)cc1Cl |r|
C[C@@H](N1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(cc1C1CC1)C(N)=O)c1cc(Cl)cc(Cl)c1 |r|
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C[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cccc(CN(C)C)c1 |r|
C[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc2ccncc12 |r|
C[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccnc1 |r|
C[C@@H](O)c1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
C[C@@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@@H](Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1 |r|
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)C1CCC1
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1c(F)cc(F)cc1F
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1cc(Cl)ccc1Cl
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1cc(F)c(F)cc1F
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1ccc(F)cc1Cl
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1nc2cc(Cl)ccc2s1
C[C@@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1nc2ccccc2s1
C[C@@H]1C(CCN1Cc1ccccc1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@@H]1CC(CCN1Cc1ccccc1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@@H]1CC[C@@H](COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN1Cc1cc(Cl)cc(Cl)c1 |r|
C[C@@H]1CC[C@H](C1)c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1 |r|
C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@@H]1CN(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F |r|
C[C@@H]1CNCCN1c1cc(Cl)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@@H]1COc2cc(ccc2N1c1ccc(cc1C#N)C(F)(F)F)S(=O)(=O)Nc1nccs1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1[C@@H]([C@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1cc(ncc1C)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(N)=O)c1ccc(F)cc1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1cccc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(C)c1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1OC(F)F
C[C@@](Oc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O)(c1ccccc1)C(F)(F)F
C[C@@]1(CCC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(CCN(Cc2ccccc2)C1)Nc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:1.1,24.26,(59.23,-38.27,;60.33,-39.38,;61.11,-38.05,;62.65,-38.05,;63.41,-39.39,;64.95,-39.4,;65.72,-38.08,;67.25,-38.08,;68.03,-36.75,;68.03,-39.42,;67.25,-40.75,;65.71,-40.74,;64.93,-42.07,;69.56,-39.42,;69.98,-37.93,;71.06,-39.04,;70.33,-40.76,;71.87,-40.77,;72.78,-39.53,;74.24,-40.01,;74.24,-41.55,;72.77,-42.02,;58.98,-40.09,;58.93,-41.63,;60.24,-42.44,;60.19,-43.98,;61.6,-41.72,;61.65,-40.17,)|
C[C@@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(C[C@H]([C@@H](O1)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1OC(F)F)C(F)(F)F
C[C@H](CCc1ccccc1)Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
C[C@H](N1C2CCC1CC2)c1c(F)ccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |r|
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C[C@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
C[C@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
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C[C@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1 |r|
C[C@H](N1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncsn1)c1ccccc1 |r|
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C[C@H](NC(=O)c1cc(nn1C)C(F)(F)F)c1nc(no1)-c1ccnc(c1)C(F)(F)F |r|
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C[C@H](Nc1cc(C)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1)c1cc(F)ccc1F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccon1)c1cc(F)ccc1F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C#N |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C(F)F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(cc1C)S(=O)(=O)Nc1ccncn1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cc(C)ncn1)c1ccccc1Cl |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1Cl |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(F)n1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccnc(n1)C(F)(F)F)c1ccccc1Cl |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(CC(F)F)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(CCN2CCC2)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(CN2CCC2)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(CN2CCCCC2)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)c(F)cc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(O)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(OC(F)F)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(OC2COC2)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(OCC2(C)COC2)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(OCC2COC2)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C#N |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(ccc1F)C1CC1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cccc(CN(C)C)c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cccc(Cl)c1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1Cl |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(Cl)s1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncco1)c1cc(F)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)C1CCCCC1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cc(Cl)cc(Cl)c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cc(F)ccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(Cl)cc1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)c(F)c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc2ccccc2c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc(Br)c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc(Cl)c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc(F)c1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc(c1)C(F)(F)F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc2ccccc12 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc2ccncc12 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1Cl |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccnc1 |r|
C[C@H](Nc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Nc1ccc(c(F)c1Cl)S(=O)(=O)Nc1ccncn1)c1ccccc1Cl |r|
C[C@H](Nc1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1)c1c(F)cccc1Cl |r|
C[C@H](Nc1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1)c1c(F)cccc1F |r|
C[C@H](Nc1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1ccc(c(F)c1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Nc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Nc1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccncn1)c1cc(F)ccc1F |r|
C[C@H](Nc1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
C[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
C[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccn1 |r|
C[C@H](Nc1ccc(nc1C)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Nc1ncc(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(Cl)ccc1F |r|
C[C@H](Nc1ncc(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1c(F)cccc1F |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(Cl)ccc1F |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cccc(F)c1 |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1Cl |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1c(F)cccc1F |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cc(Cl)ccc1F |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(Cl)c(Cl)c1 |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc(F)c1 |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1Cl |r|
C[C@H](Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Oc1ccc(c(F)c1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
C[C@H](Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1cc(Cl)ccc1Cl
C[C@H](Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)c1nc2ccccc2s1
C[C@H](Sc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
C[C@H]([C@H](N)c1cn2cc(ccc2n1)C(C)(C)C)C(N)=O |r|
C[C@H]([C@H](N)c1nc2ccc(cc2[nH]1)C(C)(C)C)C(N)=O
C[C@H]1CC(CCN1Cc1ccccc1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CCCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
C[C@H]1CC[C@H](C1)c1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
C[C@H]1CN(CCN1)c1cc(Cl)ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(Cc2cccc(C)c2)CC[C@@H]1Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(Cc2cccc(C)c2)CC[C@H]1Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(Cc2ccccc2F)CC[C@@H]1Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(Cc2ccccc2F)CC[C@H]1Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1CN(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F |r|
C[C@H]1COc2c(N3CC[C@H](C3)C3(N)CC3)c(F)cc3cc(C(O)=O)c(=O)n1c23 |r|
C[C@H]1COc2cc(ccc2N1c1ccc(cc1C#N)C(F)(F)F)S(=O)(=O)Nc1nccs1 |r|
C[C@H]1C[C@@H](CN1Cc1ccccc1)N(C)c1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
C[C@H]1[C@@H](CCCN1Cc1cc(Cl)cc(Cl)c1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
C[C@H]1[C@H](CCCN1Cc1cc(Cl)cc(Cl)c1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1cc(ncc1C)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)c1ccc(F)c(F)c1O
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(N)=O)c1ccc(F)cc1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1cccc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(C)c1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1O
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1OC(F)F
C[C@](Oc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O)(c1ccccc1)C(F)(F)F
C[C@]1(CCN(Cc2ccccc2)C1)Nc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@]1(CCN(Cc2ccccc2)C1)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |r|
C[C@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:24.26,wD:1.1,(76.43,-36.87,;77.53,-37.98,;78.31,-36.65,;79.85,-36.65,;80.61,-37.99,;82.15,-38,;82.91,-36.68,;84.45,-36.68,;85.22,-35.35,;85.22,-38.02,;84.44,-39.35,;82.91,-39.34,;82.12,-40.67,;86.76,-38.02,;87.17,-36.53,;88.26,-37.64,;87.53,-39.36,;89.07,-39.37,;89.98,-38.13,;91.44,-38.61,;91.43,-40.15,;89.97,-40.62,;76.18,-38.69,;76.13,-40.23,;77.44,-41.04,;77.38,-42.58,;78.8,-40.32,;78.85,-38.77,)|
C[C@]1(CC[C@@](C)(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r,wU:4.8,1.41,(41.47,-42.39,;39.94,-42.39,;40.76,-41.1,;40.05,-39.72,;38.52,-39.67,;39.27,-38.33,;37.69,-40.97,;38.4,-42.32,;37.78,-38.31,;38.7,-37.05,;37.78,-35.8,;38.26,-34.34,;39.78,-34.03,;40.25,-32.56,;39.21,-31.41,;37.7,-31.74,;37.23,-33.2,;39.69,-29.95,;38.66,-28.81,;41.2,-29.62,;41.68,-28.16,;40.64,-27.02,;41.11,-25.56,;42.62,-25.23,;43.65,-26.38,;43.18,-27.85,;40.08,-24.42,;39.13,-23.38,;40.31,-22.83,;38.47,-24.51,;36.32,-36.28,;34.99,-35.5,;34.99,-33.96,;33.66,-36.28,;33.66,-37.82,;34.99,-38.59,;36.32,-37.82,;40.65,-43.76,;39.83,-45.05,;42.19,-43.82,)|
C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|
C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r|
C[C@]1(C[C@@H]([C@H](O1)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1OC(F)F)C(F)(F)F
C[C@]12OCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCO2 |r,wU:5.6,1.0,(5.16,-20.83,;5.17,-22.37,;3.6,-22.06,;2.76,-23.36,;3.73,-24.55,;5.17,-24,;5.17,-25.54,;6.5,-26.31,;7.83,-25.54,;7.83,-24,;9.16,-23.23,;9.16,-21.69,;10.5,-23.99,;10.5,-25.54,;9.16,-26.31,;9.16,-27.85,;11.82,-23.21,;11.05,-21.88,;12.59,-21.87,;13.16,-23.98,;14.49,-23.21,;15.9,-23.83,;16.92,-22.69,;16.15,-21.35,;14.64,-21.68,;6.65,-24.4,;7.49,-23.11,;6.52,-21.91,)|
C[N+]1([O-])CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |c:5|
C[Si](C)(C)CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
C[Si](C)(C)c1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
Cc1[nH]c(=O)ccc1N1CN(c2ccc(F)c(F)c2C)c2cnc(cc2C1=O)C(F)(F)F
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Cc1[nH]ncc1-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cc1c(C)c2c(OC3CCN(Cc4cscn4)CC3)ncnc2n1Cc1ccccc1
Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1
Cc1c(Cl)cccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1c(F)c(c(F)cc1NCc1c(Cl)ccc(F)c1CN1CCC1)S(=O)(=O)Nc1cscn1
Cc1c(F)c(c(F)cc1NCc1ccccc1CN1CCC1)S(=O)(=O)Nc1ccncn1
Cc1c(F)c(c(F)cc1OC1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1nccs1 |w:10.11|
Cc1c(F)c(c(F)cc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cscn1
Cc1c(F)c(c(F)cc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1nccs1
Cc1c(F)c(c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1c(F)c(c(F)cc1O[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1c(F)c(ccc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cscn1
Cc1c(F)ccc([C@@H]2C[C@@](C)(O[C@H]2C(=O)Nc2ccnc(c2)C(N)=O)C(F)(F)F)c1F
Cc1c(F)ccc([C@H]2C[C@](C)(O[C@@H]2C(=O)Nc2ccnc(c2)C(N)=O)C(F)(F)F)c1F
Cc1c(F)cccc1-n1ncc(C(=O)N2CCc3cc(Cl)ccc23)c1N
Cc1c(F)cccc1-n1ncc(C(=O)Nc2ccc(OC(F)(F)F)cn2)c1N
Cc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(Cl)cn2)c1N
Cc1c(F)cccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(C(O)=O)c(=O)n(C3CC3)c12 |r|
Cc1c(NC2(C)CN(Cc3ccccc3)C2)cc(F)c(c1F)S(=O)(=O)Nc1cscn1
Cc1c(NCc2c(F)cccc2CN2C3CCC2CC3)cc(F)c(c1F)S(=O)(=O)Nc1ccon1
Cc1c(NCc2c(F)cccc2CN2C3CCC2CC3)ccc(c1F)S(=O)(=O)Nc1ccon1
Cc1c(NCc2c(F)cccc2CN2C3CCC2CC3)ccc(c1F)S(=O)(=O)Nc1cscn1
Cc1c(NCc2c(F)cccc2CN2CC(F)C2)ccc(c1F)S(=O)(=O)Nc1cscn1
Cc1c(NCc2c(F)cccc2CN2CCC2(C)C)ccc(c1F)S(=O)(=O)Nc1cscn1
Cc1c(NCc2c(F)cccc2CN2CCC2)cc(F)c(c1F)S(=O)(=O)Nc1cscn1
Cc1c(NCc2c(F)cccc2CN2CCC2)ccc(c1F)S(=O)(=O)Nc1ccon1
Cc1c(NCc2ccccc2CN2CCC2(C)C)cc(F)c(c1F)S(=O)(=O)Nc1cscn1
Cc1c(NCc2ccccc2CN2CCC2)cc(F)c(c1F)S(=O)(=O)Nc1ncns1
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)|
Cc1c(o[nH]c1=O)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,-1.54,;2,-2.31,;2,-3.85,;.66,-4.62,;.66,-6.16,;-.67,-3.85,;-2,-4.62,;-2,-6.16,;-3.33,-3.86,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.66,-1.54,;.66,0,;-.67,.77,;-2.01,0,;-.67,2.31,;.66,3.08,;1.99,2.31,;2,.78,;3.33,.01,;.66,4.62,;.66,6.16,)|
Cc1cc(Br)ccc1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1cc(C(=O)NS(=O)(=O)C2CCC2)c(F)cc1-c1cnc(OC2CCC2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(N2CCC[C@@H]2c2cccc(Cl)c2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(N2CCC[C@H]2c2ccccc2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OCc2cccc3ncccc23)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OCc2nc3ccccc3s2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(O[C@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 |THB:19:20:23.24:26|
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(O[C@](C)(c2ccccc2)C(F)(F)F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2c(Cl)cc(F)cc2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2c(Cl)cccc2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2c(F)cc(F)cc2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2c(F)cc(F)cc2F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(Cl)ccc2F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)c(Br)cc2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)cc(F)c2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)cc(F)c2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)cc(F)c2F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(ccc2Cl)C(F)(F)F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(Br)cc2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(F)c(F)c2F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(F)c3CCCc23)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccc(cc2Cl)C(C)(C)C)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cccc(Br)c2)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cccc(Cl)c2F)c(Cl)c1
Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2ccccc2-c2ccccc2)c(Cl)c1
Cc1cc(C)cc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Cc1cc(C)cc(CN2CCC(Oc3ccc(cc3Cl)S(=O)(=O)Nc3ncns3)C(C)(C)C2)c1
Cc1cc(C)cc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c1 |r|
Cc1cc(C)cc(CN2CC[C@@H](C2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2ncns2)c1
Cc1cc(C)cc(CN2CC[C@H](C2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2ncns2)c1
Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Cc1cc(C)cc(c1)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc21
Cc1cc(Cl)c(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)cc1C
Cc1cc(Cl)cc(C)c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Br)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(=O)(=O)C1CC1
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(=O)(=O)c1nccs1
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Cl)-c1ccc(cc1C)C(=O)NS(C)(=O)=O
Cc1cc(Cl)cc(Cl)c1Oc1ncc(cc1Cl)-c1ccc(cc1OC(F)F)C(=O)NS(C)(=O)=O
Cc1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Cc1cc(Cl)ccc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1ncns1
Cc1cc(Cl)ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncns1
Cc1cc(Cl)ccc1COc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1cc(Cl)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(Cl)ccc1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1cc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)on1
Cc1cc(F)ccc1CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
Cc1cc(F)ccc1N1CN(C(=O)c2cc(Cl)ncc12)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cc(ncc12)C#N)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1cc(F)c(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2ccncc12)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cnc(Cl)cc12)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cnc(cc12)C#N)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cnc(cc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2cnc(nc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2nc(cnc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2ncc(cc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1N1CN(C(=O)c2ncc(nc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(F)ccc1S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
Cc1cc(F)ccc1S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1
Cc1cc(F)cnc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(C)cn1
Cc1cc(NCc2c(F)cccc2CN2CC(C)(C)C2)c(F)c(F)c1S(=O)(=O)Nc1cscn1
Cc1cc(NCc2ccccc2CN2CCC2)c(F)c(F)c1S(=O)(=O)Nc1cscn1
Cc1cc(NS(=O)(=O)c2c(F)cc(NCc3c(F)ccc(F)c3CN3CCC3)cc2F)no1
Cc1cc(Nc2nccc(N)n2)ccc1Oc1ccc(Cl)cc1
Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(n2c1)C(F)(F)F
Cc1cc(OC(F)(F)F)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(OC(F)(F)F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1cc(F)c(=O)[nH]c1C
Cc1cc(OC(F)(F)F)ccc1N1CN(C(=O)c2cc(ncc12)C(F)(F)F)c1ccc(=O)[nH]c1C
Cc1cc(OC(F)F)cnc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|
Cc1cc(c(F)cc1NCc1c(F)cccc1CN1CC(F)C1)S(=O)(=O)Nc1cscn1
Cc1cc(c(F)cc1NCc1c(F)cccc1CN1CCC1)S(=O)(=O)Nc1ccon1
Cc1cc(c(F)cc1NCc1ccccc1CN1CCC1)S(=O)(=O)Nc1cccc(F)n1
Cc1cc(c(F)cc1N[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1cc(c(F)cc1N[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1cc(c(F)cc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cscn1
Cc1cc(c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1cc(c(F)cc1O[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Cc1cc(cc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Cc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cc1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C#N
Cc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Cc1cc(ccc1C#N)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(ccc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(ccc1F)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Cc1cc(ccc1OC(F)(F)F)-c1ccc2nnc(n2c1)C(F)(F)F
Cc1cc(ccn1)-c1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Cc1cc(cnc1CO)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
Cc1cc(cnc1N[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|
Cc1cc(ncc1NCc1c(F)cccc1CN1CCC1)S(=O)(=O)Nc1cccc(F)n1
Cc1cc(ncc1NCc1c(F)cccc1CN1CCC1)S(=O)(=O)Nc1ccsn1
Cc1cc(ncc1NCc1c(F)cccc1CN1CCC1)S(=O)(=O)Nc1cscn1
Cc1cc(ncc1NCc1c(F)cccc1CN1CCCC1)S(=O)(=O)Nc1cccc(F)n1
Cc1cc(ncc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cccc(F)n1
Cc1cc(ncc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cocn1
Cc1cc(ncc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1cscn1
Cc1cc(sc1NCc1c(F)cccc1CN1CCCC1)S(=O)(=O)Nc1cccc(F)n1
Cc1ccc(C#N)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(C#N)c(n1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)cc1
Cc1ccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)cc1C
Cc1ccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)nc1
Cc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1
Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1 |r|
Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(Cl)c1 |r|
Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1C |r|
Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1Cl |r|
Cc1ccc(Cl)c(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)c1F
Cc1ccc(Cl)c(Oc2ncc(cc2Cl)-c2cc(F)c(cc2F)-c2nnc([nH]2)S(=O)(=O)CC2CC2)c1
Cc1ccc(Cl)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(Cl)cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(Cl)cc1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1ccc(Cl)cc1Oc1ncc(cc1Cl)-c1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O
Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cc1
Cc1ccc(F)c(CN2CC[C@@](C)(C2)Nc2ccc(cc2Cl)S(=O)(=O)Nc2cscn2)c1 |r|
Cc1ccc(F)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(F)cc1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Cc1ccc(F)cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(C)n1
Cc1ccc(NC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1C
Cc1ccc(OCc2ccccc2)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Cc1ccc(Oc2ccc(Nc3cncc(N)n3)cc2)cc1
Cc1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1
Cc1ccc(Oc2ccccc2)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Cc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)c(F)c1F
Cc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)c(c1)C(C)(C)C
Cc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)c2CCCc12
Cc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)cc1F
Cc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2Cl)C(=O)NS(C)(=O)=O)cc1F
Cc1ccc(c(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)c1)C(C)(C)C
Cc1ccc(cc1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Cc1ccc(cc1)C(=O)NC(=N)N1CCc2ccccc12
Cc1ccc(cc1)C(=O)NC(N)=NCCCCCc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCCOc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCCc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCOc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCSCc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCc1ccc(Cl)cc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCc1ccccc1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCCc1cccs1 |w:12.13|
Cc1ccc(cc1)C(=O)NC(N)=NCc1cccc2ccccc12 |w:12.13|
Cc1ccc(cc1)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)C(=O)NCc1ccc(C)nc1
Cc1ccc(cc1)[C@H]1CCCN1c1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Cc1ccc(cc1C#N)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(cc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(cc1F)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1ccc(cn1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Cc1ccc2ccccc2c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O
Cc1ccc2cnccc2c1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)n1
Cc1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Cc1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)n1
Cc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Cc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Cc1cccc(CN2CC[C@@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Cc1cccc(CN2CC[C@H](C2)Nc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1 |r|
Cc1cccc(Cl)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Cc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Cc1cccc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-c2ccnn2C)C(F)(F)F)n1
Cc1cccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)c1F
Cc1cccc(c1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Cc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cccc(c1Oc1ncc(cc1Cl)-c1cc(F)c(cc1C)C(=O)NS(C)(=O)=O)C(C)(C)C
Cc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2F)c1N
Cc1ccccc1C(=O)NC(N)=NCCCCc1ccccc1 |w:12.13|
Cc1ccccc1CN1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
Cc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Cc1cccnc1CN1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12
Cc1ccnc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Cc1ccnc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)c1
Cc1ccnc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-c2ccnn2C)C(F)(F)F)n1
Cc1ccnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccnn2C)C(F)(F)F)c1
Cc1ccnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccnn2C)C(F)(F)F)n1
Cc1cn(C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
Cc1cn(C2CCCC=C2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 |c:8|
Cc1cn(C2CCCCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O |r|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1cnc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)o1
Cc1cnc(N)c(c1)-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
Cc1cnc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)s1
Cc1cnc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)s1
Cc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Cc1cncc(C)c1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cc1cncc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)n1
Cc1cncc(c1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cc1cncn1-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
Cc1cnn2ccc(nc12)-c1ccc(OC(F)(F)F)cc1
Cc1coc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
Cc1csc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)n1
Cc1nc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)cs1
Cc1nc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)cs1
Cc1nc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)no1
Cc1nc(Cn2nc3ccc(cn3c2=O)-c2ccc(Oc3ccc(F)cc3)cc2)no1
Cc1nc(NCc2c(F)cccc2CN2CCCC2)ccc1S(=O)(=O)Nc1cccc(F)n1
Cc1nc(NCc2c(F)cccc2CN2CCCC2)ccc1S(=O)(=O)Nc1cscn1
Cc1nc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)sc1F
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(OC2CCN(Cc3cscn3)CC2)c2ccn(Cc3ccccc3)c2n1
Cc1nc(c(F)cc1NCc1c(F)ccc(F)c1Br)S(=O)(=O)Nc1cscn1
Cc1nc(c(F)cc1NCc1c(F)cccc1CN1C2CCC1CC2)S(=O)(=O)Nc1cscn1 |THB:17:18:24.23:20.21|
Cc1nc(c(F)cc1NCc1cccc(c1CN1C2CCC1CC2)C(F)(F)F)S(=O)(=O)Nc1cscn1 |TLB:16:17:19.20:22.23|
Cc1nc(c(F)cc1NCc1ccccc1CNCC(C)(C)C)S(=O)(=O)Nc1cscn1
Cc1nc(c(cc1NCc1c(F)cccc1CN1C2CCC1CC2)C(F)(F)F)S(=O)(=O)Nc1cscn1 |THB:16:17:23.22:19.20|
Cc1nc(ccc1F)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
Cc1nc(ccc1F)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
Cc1nc(ccc1NCc1c(F)cccc1CN1C2CCC1CC2)S(=O)(=O)Nc1cscn1 |THB:16:17:23.22:19.20|
Cc1nc(ccc1NCc1c(F)cccc1CN1CC(C)(F)C1)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1c(F)cccc1CN1CCC1(C)C)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1c(F)cccc1CN1CCC1)S(=O)(=O)Nc1ccsn1
Cc1nc(ccc1NCc1c(F)cccc1CN1CCC1)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1c(F)cccc1CN1CCCC1)S(=O)(=O)Nc1cccc(F)n1
Cc1nc(ccc1NCc1c(F)cccc1CN1CCCC1)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1cccc(F)c1CN1CCC1)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1cccc(F)c1CNC(C)(C)C)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1cccc2ccncc12)S(=O)(=O)Nc1cscn1
Cc1nc(ccc1NCc1ccccc1CN1CCC1)S(=O)(=O)Nc1cscn1
Cc1nc(co1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Cc1nc(cs1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
Cc1nc(cs1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Cc1nc(cs1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Cc1nc(cs1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Cc1nc(cs1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(CNCCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1cnc(OCCOCC(F)(F)F)c(C)c1
Cc1ncccc1-c1c(NC(=O)c2cccc(c2)-c2ncccc2C(F)(F)F)cccc1C(F)(F)F |(5.46,-28.34,;4.12,-29.11,;2.79,-28.34,;1.45,-29.11,;1.46,-30.66,;2.79,-31.42,;4.12,-30.65,;5.45,-31.42,;6.78,-30.65,;6.77,-29.11,;8.1,-28.34,;9.44,-29.1,;8.1,-26.8,;9.44,-26.03,;9.43,-24.49,;8.09,-23.73,;6.76,-24.51,;6.77,-26.04,;5.42,-23.75,;4.1,-24.53,;2.76,-23.77,;2.75,-22.22,;4.08,-21.44,;5.41,-22.21,;6.74,-21.43,;5.97,-20.09,;7.51,-20.08,;8.08,-22.19,;8.11,-31.41,;8.12,-32.97,;6.78,-33.74,;5.45,-32.97,;4.11,-33.73,;5.2,-34.82,;3.71,-35.22,;2.78,-32.96,)|
Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1nn(c(N)c1C(=O)Nc1ccc(Cl)cn1)-c1cccc(F)c1C
Cc1nn(c(N)c1C(=O)Nc1ccc(cn1)C(F)(F)F)-c1ccccc1F
Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1 |r|
Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@@](C)(O)C(F)(F)F |r|
Cc1noc(C)c1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1 |(3.21,-3.25,;2.44,-4.59,;2.92,-6.05,;1.67,-6.96,;.42,-6.05,;-.91,-6.82,;.9,-4.59,;-.19,-3.5,;-1.72,-3.66,;-2.35,-2.25,;-3.83,-1.85,;-1.2,-1.22,;-1.2,.32,;.13,1.09,;1.46,.32,;1.46,-1.22,;.13,-1.99,;.13,2.63,;-1.41,2.63,;1.67,2.63,;.13,4.17,;1.46,4.94,;2.93,4.46,;3.83,5.71,;2.93,6.96,;1.46,6.48,)|
Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(Oc3ccc(F)cc3)cc2)n1
Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cc1nocc1C(=O)Nc1ccc(c(N)n1)-c1ccccc1OC(F)(F)F
Cc1nsc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(C)cccc1C |(6.37,-16.57,;5.25,-17.62,;3.73,-17.32,;2.99,-18.67,;4.04,-19.8,;5.44,-19.14,;6.79,-19.89,;8.11,-19.1,;8.08,-17.56,;9.45,-19.84,;10.77,-19.05,;12.12,-19.8,;13.42,-19,;14.77,-19.74,;14.8,-21.29,;16.15,-22.03,;16.18,-23.57,;17.53,-24.32,;17.56,-25.86,;18.85,-23.52,;18.85,-25.08,;13.48,-22.08,;12.14,-21.34,;3.75,-21.31,;4.91,-22.3,;6.36,-21.79,;4.62,-23.81,;3.16,-24.32,;2,-23.31,;2.29,-21.8,;1.13,-20.79,)|
Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(Cl)cccc1Cl |(18.94,3.99,;18.04,2.74,;16.5,2.73,;16.03,1.27,;17.27,.36,;18.52,1.28,;19.98,.81,;21.3,1.6,;21.28,3.14,;22.65,.85,;23.97,1.65,;25.32,.9,;26.62,1.7,;27.97,.96,;28,-.59,;29.35,-1.34,;30.67,-.54,;32.02,-1.29,;32.05,-2.83,;33.34,-.49,;33.34,-2.05,;26.68,-1.38,;25.33,-.64,;17.28,-1.18,;15.95,-1.95,;14.62,-1.18,;15.95,-3.5,;17.28,-4.27,;18.62,-3.5,;18.61,-1.95,;19.94,-1.17,)|
Cc1onc(c1CC(=O)NCc1ccc(cc1)-n1cccn1)-c1c(Cl)cccc1Cl |(6.37,-16.57,;5.25,-17.62,;3.73,-17.32,;2.99,-18.67,;4.04,-19.8,;5.44,-19.14,;6.79,-19.89,;8.11,-19.1,;8.08,-17.56,;9.45,-19.84,;10.77,-19.05,;12.12,-19.8,;12.14,-21.34,;13.48,-22.08,;14.8,-21.29,;14.77,-19.74,;13.42,-19,;16.15,-22.03,;16.35,-23.56,;17.86,-23.85,;18.61,-22.5,;17.55,-21.38,;3.75,-21.31,;4.91,-22.3,;6.36,-21.79,;4.62,-23.81,;3.16,-24.32,;2,-23.31,;2.29,-21.8,;1.13,-20.79,)|
Cc1onc(c1CC(=O)NCc1cccc(OCCOCC(F)(F)F)n1)-c1c(C)cccc1C |(5.05,-11.78,;3.92,-12.83,;2.41,-12.53,;1.67,-13.88,;2.72,-15.01,;4.12,-14.35,;5.46,-15.1,;6.78,-14.31,;6.76,-12.77,;8.13,-15.05,;9.45,-14.26,;10.8,-15.01,;12.1,-14.21,;13.45,-14.95,;13.48,-16.5,;12.16,-17.29,;12.17,-18.85,;13.52,-19.61,;14.84,-18.82,;16.18,-19.58,;17.51,-18.8,;18.85,-19.55,;20.18,-18.77,;18.87,-21.09,;20.18,-20.32,;10.81,-16.54,;2.42,-16.52,;3.59,-17.51,;5.04,-17,;3.3,-19.02,;1.84,-19.53,;.68,-18.52,;.97,-17.01,;-.19,-16,)|
Cc1onc(c1CN1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)-c1ccccc1
Cc1onc(c1NC(=O)NCc1c(F)cccc1Cl)-c1c(C)cccc1C |(12.41,5.36,;11.51,4.11,;9.97,4.1,;9.5,2.64,;10.75,1.73,;11.99,2.64,;13.46,2.17,;14.78,2.97,;14.75,4.51,;16.13,2.22,;17.45,3.02,;18.79,2.27,;18.81,.73,;17.49,-.06,;20.15,-.02,;21.48,.78,;21.44,2.33,;20.1,3.06,;20.06,4.6,;10.75,.19,;9.42,-.58,;8.09,.19,;9.42,-2.13,;10.76,-2.9,;12.09,-2.13,;12.09,-.58,;13.42,.2,)|
Cc1onc(c1NC(=O)NCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(-5.13,4.9,;-6.03,3.65,;-7.57,3.64,;-8.04,2.18,;-6.79,1.27,;-5.55,2.19,;-4.08,1.72,;-2.76,2.51,;-2.79,4.05,;-1.41,1.76,;-.09,2.56,;1.25,1.81,;1.27,.27,;-.05,-.52,;2.62,-.47,;3.94,.32,;3.91,1.87,;2.56,2.61,;2.52,4.15,;-6.79,-.27,;-8.11,-1.04,;-9.45,-.27,;-8.12,-2.59,;-6.78,-3.36,;-5.45,-2.59,;-5.45,-1.04,;-4.12,-.26,)|
Cc1onc(c1NC(=O)NCc1ccc(cc1)-n1cccn1)-c1c(C)cccc1C |(18.44,-27.81,;17.54,-29.06,;16,-29.06,;15.53,-30.53,;16.78,-31.44,;18.02,-30.52,;19.49,-30.99,;20.81,-30.2,;20.78,-28.66,;22.15,-30.94,;23.47,-30.15,;24.82,-30.9,;24.84,-32.43,;26.18,-33.18,;27.5,-32.39,;27.47,-30.84,;26.13,-30.1,;28.85,-33.13,;29.05,-34.66,;30.56,-34.95,;31.31,-33.6,;30.26,-32.48,;16.78,-32.98,;15.45,-33.75,;14.12,-32.98,;15.45,-35.29,;16.78,-36.06,;18.12,-35.29,;18.12,-33.74,;19.45,-32.97,)|
Cc1onc(c1NC(=O)NCc1ccc(cc1)-n1cccn1)-c1c(Cl)cccc1Cl |(-3.96,-28.77,;-4.86,-30.01,;-6.4,-30.02,;-6.87,-31.48,;-5.62,-32.39,;-4.38,-31.48,;-2.91,-31.95,;-1.59,-31.15,;-1.62,-29.61,;-.25,-31.9,;1.07,-31.11,;2.42,-31.85,;2.44,-33.39,;3.78,-34.14,;5.1,-33.34,;5.07,-31.8,;3.73,-31.06,;6.45,-34.09,;6.65,-35.62,;8.16,-35.91,;8.91,-34.56,;7.86,-33.43,;-5.62,-33.93,;-6.95,-34.7,;-8.28,-33.93,;-6.95,-36.25,;-5.62,-37.02,;-4.28,-36.25,;-4.28,-34.7,;-2.95,-33.92,)|
Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(C)cccc1C |(33.16,-37.18,;32.26,-38.43,;30.72,-38.43,;30.24,-39.9,;31.49,-40.81,;32.74,-39.89,;34.2,-40.36,;35.52,-39.57,;35.49,-38.03,;36.87,-40.31,;38.19,-39.52,;39.54,-40.27,;39.55,-41.81,;38.23,-42.6,;40.9,-42.55,;42.22,-41.76,;42.19,-40.21,;40.84,-39.47,;40.81,-37.93,;31.5,-42.35,;30.17,-43.12,;28.83,-42.35,;30.17,-44.66,;31.5,-45.44,;32.84,-44.66,;32.83,-43.11,;34.16,-42.34,)|
Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(-4.41,5.18,;-5.31,3.94,;-6.85,3.93,;-7.32,2.47,;-6.08,1.56,;-4.83,2.47,;-3.36,2,;-2.04,2.8,;-2.07,4.34,;-.7,2.05,;.62,2.84,;1.97,2.1,;1.99,.56,;.66,-.23,;3.33,-.19,;4.65,.61,;4.62,2.15,;3.27,2.89,;3.24,4.43,;-6.07,.02,;-7.4,-.75,;-8.73,.02,;-7.4,-2.3,;-6.07,-3.07,;-4.73,-2.3,;-4.74,-.75,;-3.4,.03,)|
Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(F)cccc1Cl |(13.99,-37.25,;13.09,-38.5,;11.55,-38.5,;11.08,-39.97,;12.33,-40.88,;13.57,-39.96,;15.04,-40.43,;16.36,-39.64,;16.33,-38.1,;17.7,-40.38,;19.02,-39.59,;20.37,-40.34,;20.39,-41.88,;19.07,-42.67,;21.73,-42.62,;23.06,-41.83,;23.02,-40.28,;21.68,-39.54,;21.64,-38,;12.33,-42.42,;11,-43.19,;9.67,-42.42,;11,-44.73,;12.34,-45.51,;13.67,-44.73,;13.67,-43.18,;15,-42.41,)|
Cc1onc(c1NC(=O)OCc1cc(Cl)ccc1Cl)-c1c(Cl)cccc1Cl |(-5.13,-5.07,;-6.03,-6.32,;-7.57,-6.33,;-8.04,-7.79,;-6.79,-8.7,;-5.55,-7.79,;-4.08,-8.26,;-2.76,-7.46,;-2.79,-5.92,;-1.41,-8.21,;-.09,-7.41,;1.25,-8.16,;1.27,-9.7,;2.62,-10.45,;2.64,-11.99,;3.94,-9.65,;3.91,-8.1,;2.56,-7.37,;2.52,-5.83,;-6.79,-10.24,;-8.11,-11.01,;-9.45,-10.24,;-8.12,-12.56,;-6.78,-13.33,;-5.45,-12.56,;-5.45,-11.01,;-4.12,-10.23,)|
Cc1onc(c1NC(=O)OCc1ccc(OC2CCCC2)nc1)-c1c(Cl)cccc1Cl |(15.59,-15.68,;14.69,-16.93,;13.15,-16.94,;12.67,-18.4,;13.92,-19.31,;15.17,-18.39,;16.63,-18.86,;17.95,-18.07,;17.92,-16.53,;19.3,-18.82,;20.62,-18.02,;21.97,-18.77,;23.27,-17.97,;24.62,-18.71,;24.65,-20.26,;26,-21.01,;27.32,-20.21,;28.78,-20.7,;29.69,-19.46,;28.8,-18.2,;27.33,-18.67,;23.33,-21.05,;21.98,-20.31,;13.93,-20.85,;12.6,-21.62,;11.26,-20.85,;12.6,-23.17,;13.93,-23.94,;15.27,-23.17,;15.26,-21.62,;16.59,-20.84,)|
Cc1onc(c1NC(=O)OCc1ccccc1Cl)-c1c(Cl)cccc1Cl |(15.73,5.12,;14.83,3.87,;13.29,3.87,;12.82,2.4,;14.07,1.49,;15.31,2.41,;16.78,1.94,;18.1,2.73,;18.07,4.27,;19.45,1.99,;20.77,2.78,;22.11,2.04,;22.13,.5,;23.48,-.25,;24.8,.54,;24.77,2.09,;23.42,2.83,;23.38,4.37,;14.07,-.05,;12.75,-.82,;11.41,-.05,;12.74,-2.36,;14.08,-3.13,;15.41,-2.36,;15.41,-.81,;16.74,-.03,)|
Cc1sc(NS(=O)(=O)c2ccc3c(cn(C)c3c2)-c2ccc(cc2-c2ccnn2C)C(F)(F)F)nc1C(F)(F)F
Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r|
Cc1sc(cc1NCc1c(F)cccc1Br)S(=O)(=O)Nc1cccc(F)n1
Cl.CCN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1 |r,c:6|
Cl.CNc1nc(c[nH]1)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
Cl.Cl.Nc1nc2CCC(CNC(=O)[C@@H]3CCCN3)Cc2s1 |r|
Cl.Cl.Nc1nc2CC[C@@H](Cc2s1)NC(=O)[C@@H]1CCCN1 |r|
Cl.N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1 |r,c:4|
Cl.Nc1nc(c[nH]1)-c1ccc(NC(=O)[C@@H]2CCCN2)cc1 |r|
Cl.Nc1nc(c[nH]1)-c1ccc(NC(=O)[C@H]2CCCN2)cc1 |r|
Cl.Nc1nc(c[nH]1)-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
Cl.Nc1nc(c[nH]1)-c1ccc(NC(=O)c2ccc[nH]2)cc1
Cl.Nc1nc(c[nH]1)-c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
Cl.Nc1nc(c[nH]1)-c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
Cl.Nc1nc(c[nH]1)-c1cccc(NC(=O)c2ccc[nH]2)c1
Clc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Clc1cc(ccc1NC(C1CC1)c1ccccc1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1NC1(CCC1)c1ccccc1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1NC1(COC1)c1ccccc1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1NC1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1ncns1
Clc1cc(ccc1NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1ncns1
Clc1cc(ccc1NC1CN(Cc2ccccc2)C1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1NCc1ccccc1)S(=O)(=O)Nc1ncns1
Clc1cc(ccc1N[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1N[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1ncns1 |r|
Clc1cc(ccc1N[C@@H]1CCc2ccccc12)S(=O)(=O)Nc1ncns1 |r|
Clc1cc(ccc1N[C@H]1CCCc2cccnc12)S(=O)(=O)Nc1nccs1 |r|
Clc1cc(ccc1N[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1ncns1 |r|
Clc1cc(ccc1N[C@H]1CCc2ccccc12)S(=O)(=O)Nc1ncns1 |r|
Clc1cc(ccc1OC1CCN(CC1)C1(CC1)c1ccccc1)S(=O)(=O)Nc1cscn1
Clc1cc(ccc1OC1CCN(CC1)C1CCCCC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(CC1)C1CCc2ccccc12)S(=O)(=O)Nc1nccs1 |w:11.15|
Clc1cc(ccc1OC1CCN(CC2CCCCC2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(CCc2ccccc2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(Cc2ccc3ccccc3c2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1ncns1
Clc1cc(ccc1OC1CCN(Cc2ccccn2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(Cc2cccnc2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CCN(Cc2ccncc2)CC1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1OC1CN(Cc2ccccc2)C1)S(=O)(=O)Nc1nccs1
Clc1cc(ccc1O[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1ncns1
Clc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)Nc1nccs1 |r,THB:16:15:14.9.8:12.11|
Clc1cc(ccc1O[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1ncns1
Clc1cc(ccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)Nc1cscn1 |r,THB:16:15:9.8.14:11.12|
Clc1cc(ccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)Nc1nccs1 |r,THB:16:15:14.9.8:12.11|
Clc1cc(cnc1N[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Clc1ccc(C#N)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl
Clc1ccc(Cl)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Clc1ccc(NC(=O)N2CCCC(CCC#N)(C2)c2ccccc2)cc1
Clc1ccc(NC(=O)N2CCCC(CCC(=O)N3CCOCC3)(C2)c2ccccc2)cc1
Clc1ccc(NC(=O)N2CCCC(CCC3NN=NN3)(C2)c2ccccc2)cc1 |c:17|
Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccn[nH]1
Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1
Clc1ccc(c(Cl)c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
Clc1ccc(c(Cl)c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Clc1ccc(c(c1)-c1ccncc1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Clc1ccc(c(c1)-c1cn[nH]c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Clc1ccc(c(c1)C1=CCNCC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1 |t:8|
Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCNCC1
Clc1ccc(cc1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
Clc1ccc(cc1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Clc1ccc(cc1)C1CCNC[C@H]1COc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1 |r|
Clc1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1ccc(cc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1
Clc1ccc2NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn3-c2c1
Clc1ccc2c(ccnc2c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
Clc1cccc(C#N)c1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Clc1cccc(CN2CC[C@H](C2)Nc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1 |r|
Clc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
Clc1cccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c1Cl
Clc1cccc(c1)N1C(=O)COc2cc(ccc12)S(=O)(=O)Nc1nncs1
Clc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1ccccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Clc1ccccc1CN1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
Clc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Clc1ccccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Clc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
Clc1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(Cl)c1
Clc1cncc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
Cn1cc(-c2cc(Br)cc(c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cc(F)ccc2F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cc(cc(c2)C(F)(F)F)-c2ccncc2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cc3ccccc3o2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(Br)cc2C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(C#N)c(F)c2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(F)c(c2)C#N)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(OC(F)(F)F)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccc(OC(F)(F)F)cc2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(c(Cl)c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C(F)(F)F
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)c1cccs1
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2)C(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(-c2ccc(cc2)C(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccc(cc2)C(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(-c2ccc(cc2)C(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccc(cc2-c2ccn(n2)C2CNC2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2-c2ccncc2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1nc(Br)ns1
Cn1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(nc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2-c2cn[nH]c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2C#N)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccc(cc2C2=CCNCC2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1cscn1 |t:11|
Cn1cc(-c2ccc(cc2C2=CCNCC2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1nccs1 |t:11|
Cn1cc(-c2ccc(cc2C2=CCNCC2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1 |t:11|
Cn1cc(-c2ccc(cc2Cl)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccc(cc2Cl)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc(F)c2F)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cccc(OC(F)(F)F)c2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc(c2)C#N)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc(c2)S(C)(=O)=O)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc3CCNCc23)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc3CNCCc23)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc3ccccc23)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccc3ncccc23)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccccc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2ccccc2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccccc2C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccccc2OC(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cccnc2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2ccncc2Cl)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(-c2cnc(OCC(C)(C)O)c(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cnc(OCC(F)(F)F)c(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cnc(OCC(F)F)c(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cnc(OCC3CC3)c(Cl)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(-c2cnc(OCC3CC3)c(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cncc(F)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1cc(-c2cnn(c2)C2CC2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Cn1cc(C2=CCN(CC2)C(=O)OC(C)(C)C)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 |t:4|
Cn1cc(C2=CCNCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 |t:4|
Cn1cc(C2=CCOCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 |t:4|
Cn1cc(C2C3CC4CC(C3)CC2C4)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 |TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:3:4:8.9.11:13,4:5:8:11.12.13,4:12:8:6.10.5,(8.01,-1.2,;8.49,-2.66,;7.58,-3.91,;8.48,-5.16,;8.01,-6.61,;9.15,-7.63,;8.49,-8.91,;7.25,-9.58,;7.42,-11.33,;8.09,-9.92,;9.45,-9.24,;6.89,-8.88,;6.65,-7.28,;6.13,-8.61,;9.95,-4.68,;11.28,-5.45,;12.62,-4.68,;12.62,-3.13,;11.28,-2.37,;9.95,-3.14,;13.95,-2.35,;13.94,-.81,;15.29,-3.12,;16.62,-2.34,;15.84,-1,;17.39,-1,;17.96,-3.11,;18.73,-4.44,;19.5,-3.1,)|
Cn1cc(C2C3CC4CC2CN(C4)C3)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 |TLB:13:11:8:6.5.4,3:4:12.11.10:8,4:5:12:10.9.8,THB:13:5:12.11.10:8,4:9:12:6.13.5,(6.89,-14.98,;7.37,-16.45,;6.46,-17.69,;7.36,-18.94,;6.89,-20.4,;8.03,-21.42,;7.37,-22.7,;6.13,-23.37,;5,-22.4,;5.53,-21.07,;5.77,-22.67,;6.97,-23.71,;6.3,-25.11,;8.33,-23.02,;8.83,-18.47,;10.16,-19.24,;11.5,-18.47,;11.5,-16.91,;10.16,-16.15,;8.83,-16.93,;12.83,-16.14,;12.82,-14.6,;14.17,-16.9,;15.5,-16.13,;14.72,-14.79,;16.27,-14.78,;16.84,-16.89,;17.62,-18.22,;18.38,-16.89,)|
Cn1cc(C2CCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCCC(C)(C)C2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCCCC2)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCCCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCCN(C2)C(=O)OC(C)(C)C)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCCNC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(C2CCNCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Cn1cc(c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1)C1(C)CCCCO1
Cn1cc(cn1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
Cn1cc(nn1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cn1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
Cn1ccc2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1cccc1C(=O)N[C@H]1CCc2nc(N)sc2C1 |r|
Cn1cnc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cn1nc(-c2ccc(cc2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Cn1nc(-c2ccc(cc2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
Cn1nc(-c2ccc(cc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
Cn1nc(N)c2ccc(cc12)-c1c(F)cccc1OCC(F)(F)C(F)(F)F
Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OC(F)F
Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)(F)C(F)(F)F
Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)F
Cn1nc(N)c2ccc(cc12)-c1ccccc1OCC(F)(F)F
Cn1nc(N)c2ccc(cc12)-c1cccnc1OCC(F)(F)F
Cn1nc(NCCCO)c2ccc(cc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Cn1nc(NCCO)c2ccc(cc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Cn1nc(c(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)c1Cl)C(F)(F)F
Cn1nc(cc1C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)|
Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(O)=O |r,wD:14.16,19.20,(-4.48,.42,;-5.11,-.99,;-6.62,-1.31,;-6.78,-2.84,;-5.37,-3.47,;-4.34,-2.32,;-2.81,-2.48,;-1.9,-1.24,;-.37,-1.4,;.25,-2.81,;1.79,-2.97,;2.69,-1.72,;2.07,-.31,;.53,-.15,;2.97,.93,;4.5,.77,;5.13,-.64,;4.22,-1.88,;6.66,-.8,;7.29,-2.2,;6.38,-3.45,;7.01,-4.86,;7.16,-3.44,;8.67,-3.78,;8.82,-2.37,;9.44,-3.77,;8.54,-5.02,;2.34,2.34,;3.25,3.58,;2.62,4.99,;1.09,5.15,;.19,3.91,;.81,2.5,;-8.11,-3.61,;-8.11,-5.15,;-9.44,-2.84,)|
Cn1nccc1-c1cc(Cl)ccc1-c1c[nH]c2cc(ccc12)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1-n1cnc2cc(ccc12)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccc(F)cn1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1nncs1
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1F)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1
Cn1nccc1-c1cc(Cl)ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1
Cn1nccc1-c1cc(ccc1-c1c[nH]c2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1c[nH]c2nc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1nncs1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1cn(c2cc(ccc12)S(=O)(=O)Nc1ncns1)S(C)(=O)=O)C(F)(F)F
Cn1nccc1-c1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1-n1cnc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1C1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F
Cn1nccc1-c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Cn1nccc1-c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cc(F)ccn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnc1F)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cnccn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccc1F)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnc1F)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cnccn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccc1F)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Cn1nccc1-c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
Cn1nccc1-c1ccccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Cn1nccc1-c1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1nccs1
Cn1nccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
Cn1nccc1C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Cn1nccc1Nc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
FC(F)(F)C(=O)ON(c1nccs1)S(=O)(=O)c1ccc2c(nccc2c1)-c1ccc(Cl)cc1OCC#N
FC(F)(F)C(=O)ON(c1nccs1)S(=O)(=O)c1ccc2c(nccc2c1)-c1ccccc1OCC#N
FC(F)(F)C1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)CCN1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
FC(F)(F)CCOc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
FC(F)(F)CCOc1ccc(cn1)C(=O)NCCc1ccccc1-c1cccnc1
FC(F)(F)CCOc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cncnc3)c2C1 |r|
FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)COCCN1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1
FC(F)(F)COc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
FC(F)(F)COc1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r|
FC(F)(F)COc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
FC(F)(F)Cc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1cc(ccc1C#N)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)Oc1ccc(C#N)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CC(F)(F)c3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CC3CC(F)(F)C3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC#N)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC3CCOCC3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCN3CCOCC3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCOc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cccnc3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccncc3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cnccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ncccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(C[C@@H]3CCCO3)C(=O)c3ccccc23)cc1 |r|
FC(F)(F)Oc1ccc(CNC(=O)C2N(Cc3ccc(cn3)C(F)(F)F)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N([C@H]3CC[C@@H](CC3)C#N)C(=O)c3ccccc23)cc1 |r,wU:15.14,wD:18.21,(34.65,-34.73,;33.14,-35.05,;32.67,-36.52,;34.23,-36.13,;32.11,-33.91,;30.6,-34.23,;30.13,-35.7,;28.62,-36.02,;27.6,-34.87,;26.09,-35.19,;25.62,-36.66,;24.11,-36.98,;23.08,-35.83,;23.64,-38.44,;24.55,-39.7,;26.09,-39.69,;26.85,-38.36,;28.39,-38.36,;29.16,-39.7,;28.38,-41.03,;26.85,-41.03,;30.7,-39.7,;32.24,-39.71,;23.64,-40.95,;24.11,-42.41,;22.16,-40.47,;20.83,-41.24,;19.49,-40.47,;19.5,-38.93,;20.82,-38.16,;22.16,-38.92,;28.06,-33.41,;29.56,-33.09,)|
FC(F)(F)Oc1ccc(c(Cl)c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
FC(F)(F)Oc1ccc(cc1)-c1ccc2cnc(n2c1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccc2n[nH]c(=O)n2c1
FC(F)(F)Oc1ccc(cc1)-c1ccc2nc(cn2c1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccc2ncc(n2c1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccc2ncnn2c1
FC(F)(F)Oc1ccc(cc1)-c1ccc2nn(Cc3nc(co3)C3CC3)c(=O)n2c1
FC(F)(F)Oc1ccc(cc1)-c1ccc2nn(Cc3nc(no3)-c3c(Cl)cccc3Cl)c(=O)n2c1
FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2n1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccc2nncn2c1
FC(F)(F)Oc1ccc(cc1)-c1ccn2ncc(c2c1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccn2ncc(c2n1)C(F)(F)F
FC(F)(F)Oc1ccc(cc1)-c1ccn2nccc2c1
FC(F)(F)Oc1ccc(cc1)-c1ccn2nccc2n1
FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1cccnc1 |r|
FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccncc1 |r|
FC(F)(F)Oc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1
FC(F)(F)Oc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C#N
FC(F)(F)Oc1cccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)c1
FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
FC(F)(F)Oc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)Oc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
FC(F)(F)c1cc(Br)c(c(c1)C1=CCNCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |t:12,(10.61,-23.3,;9.27,-22.53,;10.04,-21.19,;8.5,-23.86,;7.94,-21.76,;7.89,-20.19,;6.56,-19.42,;6.56,-17.88,;5.22,-20.19,;5.22,-21.73,;6.56,-22.5,;3.89,-22.5,;2.56,-21.73,;1.22,-22.5,;1.22,-24.04,;2.56,-24.81,;3.89,-24.04,;3.89,-19.42,;2.56,-20.19,;1.22,-19.42,;1.22,-17.88,;2.56,-17.11,;2.56,-15.57,;3.89,-14.8,;5.22,-15.57,;5.22,-17.11,;3.89,-17.88,;3.89,-13.26,;2.35,-13.26,;5.43,-13.26,;3.89,-11.72,;2.56,-10.95,;1.09,-11.43,;.19,-10.18,;1.09,-8.94,;2.56,-9.41,)|
FC(F)(F)c1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1cc(c2[nH]c(CN3CCNCC3=O)nc2c1)C(F)(F)F
FC(F)(F)c1cc(c2nc(CC3CNC3)[nH]c2c1)C(F)(F)F
FC(F)(F)c1cc(ccc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1cc2nc(CN3CCNCC3=O)[nH]c2cc1C(F)(F)F
FC(F)(F)c1ccc(-c2cccc3CN(CCc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cccnc1
FC(F)(F)c1ccc(-c2cccc3CN(CCc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cncnc1
FC(F)(F)c1ccc(-c2cccc3CN(CCc23)S(=O)(=O)Nc2ncns2)c(c1)-n1ccnc1
FC(F)(F)c1ccc(C#N)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccc(CN2C(=O)[C@@]3(COc4cc5OCOc5cc34)c3ccccc23)o1
FC(F)(F)c1ccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)cc1
FC(F)(F)c1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)c1ccc(N2CCNc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(c(Cl)cc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cc(Cl)ncn2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccccn2)c(Br)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccccn2)c(c1)C1=CCNCC1 |t:34|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(c1)C1=CCNCC1 |t:34|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(Br)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)C1=CCNCC1 |t:34|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccno2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccno2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccon2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cnccn2)c(c1)C1=CCNCC1 |t:34|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cncs2)c(c1)C1=CCNCC1 |t:33|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cscn2)c(Br)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cscn2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cscn2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cscn2)c(c1)C1=CCNCC1 |t:33|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)C1=CCNCC1 |t:34|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncco2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncco2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(Br)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)-c1ccncc1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)-c1cncnc1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1=CCNCC1 |t:33|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Br)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cccnc1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)-c1ccncc1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cncnc1
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)C#N
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)C1=CCNCC1 |t:33|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)C1=CCOCC1 |t:33|
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nncs2)c(Cl)c1
FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccccn2)cc1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccnn1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccncn1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnnc1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CC(F)(F)C2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCCC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(F)(F)C2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCOC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(OC2CCOCC2)c1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(OC2CCOCC2)c1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)-n1ccnn1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(OC2CCOCC2)c1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(OC2COC2)c1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(O[C@H]2CCOC2)c1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)-n1ccnn1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)C1CCOCC1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1=O
FC(F)(F)c1ccc([C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCS(=O)(=O)CC1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(Cl)c1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(OC2CCOCC2)c1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(c1)-n1ccnn1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(c1)N1CCCC1=O |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(c1)N1CCS(=O)(=O)CC1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(Cl)c1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(O[C@H]2CCOC2)c1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)-n1ccnn1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)N1CCCC1=O |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)N1CCOCC1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)N1CCS(=O)(=O)CC1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(Cl)c1 |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(OC2CCOCC2)c1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(O[C@@H]2CCOC2)c1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)-n1ccnn1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)C1CCOCC1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCCC1=O |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOC1=O |r|
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1=O
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCS(=O)(=O)CC1
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)N1CCNCC1 |r|
FC(F)(F)c1ccc([C@H]2CCc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1 |r|
FC(F)(F)c1ccc(c(Br)c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ccncn1
FC(F)(F)c1ccc(c(Br)c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(Br)c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(Br)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(Cl)c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(Cl)c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(Cl)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccc(c(OCC#N)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccc(c(c1)-c1ccncc1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(c1)-c1ccncc1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(c1)-c1ccncc1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(c1)-c1cn[nH]c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(c1)-c1cn[nH]c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(c1)C1=CCNC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |t:11|
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1cnccn1 |t:11|
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1nccs1 |t:11|
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |t:11|
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ccncn1 |t:11|
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1 |t:11|
FC(F)(F)c1ccc(c(c1)C1=CCOCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |t:11|
FC(F)(F)c1ccc(c(c1)N1CCOCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(c(c1)[N+]#[C-])-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(cc1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CC1)CCc1ccccc1O2
FC(F)(F)c1ccc(cc1)N1C(COc2cc(ccc12)S(=O)(=O)Nc1ncns1)c1ccccc1
FC(F)(F)c1ccc(cc1Cl)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(cc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccc(cn1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccc(nc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1
FC(F)(F)c1ccc2c(Nc3ccc(Cl)nc3)n[nH]c2c1
FC(F)(F)c1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
FC(F)(F)c1cccc(NC(=O)c2cccc(c2)-c2ccccn2)c1-c1cccnc1
FC(F)(F)c1cccc(NC(=O)c2cccc(c2)-c2ccccn2)c1N1CCOCC1
FC(F)(F)c1cccc(NC(=O)c2cccc(c2)-c2ncccc2Cl)c1-c1cccnc1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
FC(F)(F)c1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1CN1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl
FC(F)(F)c1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
FC(F)(F)c1ccccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ccccn1)C(F)(F)F
FC(F)(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F
FC(F)(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnn1)C(F)(F)F
FC(F)(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ccncc1)C(F)(F)F
FC(F)(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ncccc1Cl)C(F)(F)F |(49.28,-2.81,;50.05,-4.15,;50.82,-2.81,;51.39,-4.92,;48.72,-4.93,;47.39,-4.17,;46.06,-4.95,;46.07,-6.5,;47.41,-7.25,;48.73,-6.47,;50.07,-7.23,;51.4,-6.45,;52.74,-7.22,;52.74,-8.75,;51.41,-9.52,;50.08,-8.77,;51.41,-11.06,;52.75,-11.82,;50.08,-11.83,;50.09,-13.37,;51.42,-14.14,;51.43,-15.69,;50.09,-16.46,;48.76,-15.69,;48.76,-14.14,;47.43,-13.37,;46.1,-14.14,;44.77,-13.38,;44.77,-11.83,;46.1,-11.06,;47.43,-11.83,;48.77,-11.06,;47.42,-16.45,;48.51,-17.54,;47.02,-17.94,;46.09,-15.68,)|
FC(F)(F)c1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(Cl)c1
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
FC(F)(F)c1nc(OC2CCN(Cc3cscn3)CC2)c2ccn(Cc3ccccc3)c2n1
FC(F)(F)c1nnc2ccc(cn12)-c1ccc(cc1)C(F)(F)F
FC(F)(F)c1nnc2ccc(cn12)-c1ccc(cc1)S(F)(F)(F)(F)F
FC(F)C(F)(F)Oc1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)C1CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
FC(F)Cc1cccc(CN2CC[C@H](Oc3cc(F)c(cc3Cl)S(=O)(=O)Nc3cscn3)[C@H](F)C2)c1 |r|
FC(F)Oc1cc(Cl)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
FC(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
FC(F)Oc1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
FC(F)Oc1cccc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)Oc1ccccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC(F)Oc1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ccccn1)C(F)(F)F
FC(F)Oc1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F
FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
FC(F)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
FC(F)[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
FC(F)c1cc(ncc1NCc1c(F)cccc1CN1CCCC1)S(=O)(=O)Nc1cscn1
FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
FC(F)c1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2cscn2)c1
FC(F)c1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
FC(F)c1cccc(CN2CC[C@H](Oc3cc(F)c(cc3Cl)S(=O)(=O)Nc3cscn3)[C@H](F)C2)c1 |r|
FC(F)c1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2ccc(cc2Cl)S(=O)(=O)Nc2cscn2)c1 |r,THB:8:9:15.14.16:12.11|
FC(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ccccn1)C(F)(F)F
FC(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F
FC(F)c1nc(ccc1NCc1c(F)cccc1CN1CCCC1)S(=O)(=O)Nc1cscn1
FC(F)c1nnc2ccc(cn12)-c1ccc(OC(F)(F)F)cc1
FC1(F)Oc2ccc(cc2O1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
FC1(F)Oc2cccc(N3CCOc4cc(ccc34)S(=O)(=O)Nc3nccs3)c2O1
FC1CC(C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |(11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-8,-3.08,;-9.34,-3.85,;-7.23,-4.41,;-8.77,-1.75,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)|
FC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CC3(C2)CN(Cc2ccc(F)cc2Cl)C3)cc1F
FC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:29:20:27:23.24.25,THB:19:20:27:23.24.25,29:24:27:20.28.21,28:20:23:27.26.25,28:26:23:20.29.21|
FC1CN(CCc2ccc(F)c(CNc3cc(F)c(cc3Cl)S(=O)(=O)Nc3cscn3)c2)C1
FC1CN(CCc2ccccc2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
FC1CN(C[C@@H](Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c2ccccc2)C1 |r|
FC1CN(Cc2cccc(Cl)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
FC1CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
FC1CN(Cc2cccc(F)c2CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)C1
FC1CN(Cc2cccc(F)c2CNc2ccc(c(F)c2Cl)S(=O)(=O)Nc2cscn2)C1
FCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
FCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
FCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
FCCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
FCCCOc1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
FCCCOc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
FCCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
FCCN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
FCCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F |r|
F[C@@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
F[C@@H]1CCN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
F[C@@H]1CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
F[C@H]1CCN(C1)C(=O)CN1CCN(CC1=O)c1cccc2n(ncc12)-c1ccccc1F |r|
F[C@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
F[C@H]1CCN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
F[C@H]1CN2CCC[C@@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc12
Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Fc1c(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)cccc1C(F)(F)F
Fc1c(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cccc1C(F)(F)F
Fc1c2OCCN(c2ccc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Fc1cc(-[#7]-[#6]-[#6]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#7]/[#8]-[#6]-c2ccccc2)c(Cl)cc1S(=O)(=O)[#7]-c1nccs1
Fc1cc(CN2C3CCC2CC(C3)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2C3CCC2CC(C3)Oc2cc(Cl)cc(OC(F)(F)F)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2C3CCC2CC(C3)Oc2cc(cc(Cl)c2F)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2CCC(CC2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2CCC(CC2)Oc2ccc(cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2CCC(CC2)Oc2ncc(Br)cc2Cl)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2CCC(CC2)Oc2ncc(cc2Cl)C2CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(CN2CCC[C@@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(CN2CCC[C@@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(CN2CCC[C@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(CN2CCC[C@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(CN2CCO[C@@H](Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(CN2CCO[C@H](Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(CN2CCO[C@H](Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(CN2CCO[C@H](Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(CN2CCO[C@H](Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,TLB:4:5:7.8:10.12.11|
Fc1cc(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c(CN2CCC2)cc1F
Fc1cc(Cc2cc(ccn2)-n2ncc3c2CCNC3=O)cc(c1)C(F)(F)F
Fc1cc(Cl)ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
Fc1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Fc1cc(Cl)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1cc(F)c(cc1F)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(NC(C2CC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC(CC(F)(F)F)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC(CN2CCOCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2(CC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NC2(CC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2(CC2)c2ccccc2)cc(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(NC2(CCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NC2(CCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CC3(COC3)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CC3CCC2O3)c(Cl)cc1S(=O)(=O)Nc1nccs1 |TLB:4:5:9.8:11|
Fc1cc(NC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCCc3ccncc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCCc3cnccc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCCc3ncccc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC2CCc3ncccc3C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC23CCCCN2CCCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC23CCCN2CC(F)(F)C3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1ncc(Cl)s1
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1ncns1
Fc1cc(NCC2CCC(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCC3(CC2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCCC(=O)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCCC3(C2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCS(=O)(=O)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2COCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2OCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCC3(CC2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCNCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCCCNC[C@H]2CCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NC[C@@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NC[C@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NC[C@H]2CCCO[C@H]2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NCc2c(CN3CCC3)cccc2C2CC2)cc(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2c(Cl)cccc2CN2CC3(CNC3)C2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2c(Cl)cccc2CN2CC3(COC3)C2)cc(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2c(Cl)cccc2CN2CCC2)cc(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2cccc3ccncc23)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2cccc3ccncc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCc2ccccc2C#N)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCc2ccccc2CCN2CC(F)(F)C2)cc(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2ccccc2CCN2CCC2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2ccccc2CN2CCC2)c(C=C)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)c(F)c1S(=O)(=O)Nc1ncns1
Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)cc1S(=O)(=O)Nc1ccon1
Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCc2ccccc2CN2CCC2)cc(F)c1S(=O)(=O)Nc1ccncn1
Fc1cc(NCc2ccccc2CN2CCC2)cc(F)c1S(=O)(=O)Nc1ccon1
Fc1cc(NCc2ccccc2CN2CCC2)cc(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(N[C@@H](CN2CCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@@H](CN2CCCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@@H]2CCCc3ccccc23)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)cc1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(N[C@@H]2CN(Cc3ccccc3)CC22CC2)c(Cl)cc1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(N[C@@H]2C[C@H](N3CCC3)c3ccccc23)c(Cl)cc1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(N[C@@H]2C[C@H](N3CCC3)c3ccccc23)cc(F)c1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(N[C@H](CN2CC(F)(F)C2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@H](CN2CCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@H](CN2CCCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(N[C@H](CN2CCCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@H](CN2CCOCC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@H]2CCCc3ccccc23)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(N[C@H]2CCN(Cc3ccccc3)C2)c(Cl)cc1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(N[C@H]2CCN(Cc3ccccc3)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(N[C@H]2C[C@H](N3CCC3)c3ccccc23)c(Cl)cc1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(OC2(CC2)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c(F)c1S(=O)(=O)Nc1cscn1
Fc1cc(OC2CCN(Cc3ccccc3)CC2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(OC2CCN(Cc3ccccc3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(OC2CCc3c2cccc3C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(OCC2(CCCC2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2(CCCCC2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2(CCCCC2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2(F)CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC23CC2CCCC3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:5:6:10:13.14.16,THB:17:6:10:13.14.16,17:14:10:6.7.18,7:6:13:10.8.16,7:8:13:6.17.18,9:8:13:6.17.18|
Fc1cc(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:13:10.8.16,THB:15:14:10:6.7.18,7:6:13:10.8.16,7:8:13:6.17.18,17:6:10:13.14.16,17:14:10:6.7.18|
Fc1cc(OCC23CC4CC(C2)C(F)(F)C(C4)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:5:6:9:12.15.16,THB:17:6:9:12.15.16,17:15:9:6.7.11,7:6:12:9.8.16,7:8:12:6.17.11|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1COC1)C1CC1 |THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CC(F)(F)C1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCCC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCOCC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Fc1cc(OCC2C3CC4CC(C3)CC2C4)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:8:10.11.12,THB:13:14:8:10.11.12,13:11:8:14.15.6,6:14:10:8.7.12,6:7:10:14.13.15,(.14,4.04,;.14,2.5,;-1.2,1.73,;-1.2,.19,;-2.53,-.58,;-3.86,.19,;-5.2,-.58,;-6.52,.19,;-7.86,-.58,;-7.86,-2.12,;-8.69,-4.02,;-7.3,-3.37,;-7.28,-.97,;-6.09,-4.04,;-5.2,-2.12,;-6.52,-2.89,;.14,-.58,;1.47,.19,;1.47,1.73,;2.81,2.5,;2.81,4.04,;4.14,1.73,;5.47,2.5,;4.7,3.84,;6.24,3.84,;6.81,1.73,;7.2,.25,;8.69,.64,;8.29,2.13,;.14,-2.12,;-.63,-3.45,;.91,-3.45,)|
Fc1cc(OCC2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CC3CCC(C2)N3Cc2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CC3CCC(C2)N3Cc2ccccc2Cl)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCC(F)(F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCC(F)(F)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCCCC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(=O)c2cccc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(=O)c2ccccc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(c2cccc(Cl)c2)c2cccc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)C2CCOCC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)C2COC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)c(Br)cc2F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(Br)c(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccccc2C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)c2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CC2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1
Fc1cc(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1
Fc1cc(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C#N
Fc1cc(OCC2CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(Cc3ccc(Br)cc3Cl)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(Cc3ccc(cc3Cl)C3CC3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CCN(Cc3ccc(cc3Cl)C3CC3)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Fc1cc(OCC2CCN(Cc3ncccc3C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCC2CN(C2)C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)CC1CC1)C1CC1
Fc1cc(OCC2CN(C2)C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)CCC(F)(F)F)C1CC1
Fc1cc(OCC2CN(C2)c2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OCCC2(F)CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1
Fc1cc(OCCC2CCC3(C2)CCN(Cc2ccccc2)CC3)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1
Fc1cc(OCCC2CCC3(C2)CCN(Cc2ccsc2)CC3)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1
Fc1cc(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Fc1cc(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(cc(Cl)c2F)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,THB:14:13:12.6.7:9.10|
Fc1cc(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(ccc2Cl)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,THB:14:13:12.6.7:9.10|
Fc1cc(OCc2cccc3ccncc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(OCc2ccccc2CN2CCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(O[C@@H]2CCCN(C2)c2ccc(cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCCN(C2)c2ccccn2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCCN(C2)c2ccccn2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(O[C@@H]2CCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(O[C@H](c2ccccc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(O[C@H]2C3CC4CC2C[C@](Cl)(C4)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r,wU:5.4,wD:12.13,TLB:5:6:14:11.10.9,4:5:11:14.8.9,THB:5:10:14:6.7.15,7:6:11:14.8.9,7:8:11:6.5.15,(2.54,2.48,;1.21,1.71,;-.13,2.48,;-1.46,1.71,;-2.79,2.48,;-4.28,2.09,;-4.28,.55,;-5.18,-1.38,;-6.38,-.71,;-6.36,1.69,;-5.61,2.85,;-6.94,2.09,;-6.94,.55,;-8.43,.15,;-7.78,-1.36,;-5.61,-.23,;-1.46,.17,;-.13,-.6,;1.21,.17,;2.54,-.6,;2.54,-2.14,;3.88,.17,;5.21,-.6,;4.44,-1.93,;5.98,.74,;6.54,-1.37,;6.94,-2.85,;8.43,-2.46,;8.03,-.97,;-2.79,-.6,;-4.33,-.6,;-3.56,-1.93,)|
Fc1cc(O[C@H]2CCCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(O[C@H]2CCN(Cc3ccccc3)C2)c(Br)c(F)c1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(O[C@H]2CCN(Cc3ccccc3)C2)c(C=C)c(F)c1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(O[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c(F)c1S(=O)(=O)Nc1cscn1 |r|
Fc1cc(O[C@H]2CCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccc(Cl)c2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r,THB:13:12:5.11.6:8.9|
Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r,THB:13:12:11.6.5:9.8|
Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1cscn1
Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nncs1
Fc1cc(c(F)cc1-c1nnc([nH]1)S(=O)(=O)CC1CC1)-c1cnc(Oc2ccccc2C(F)(F)F)c(Cl)c1
Fc1cc(c(F)cc1NCC12CCCN1CCC2)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1cc(Cl)cc(Cl)c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc(Cl)c(Cl)c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc(Cl)cc1Cl)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc(Cl)nc1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc(cc1)C#N)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc(cc1)C(F)(F)F)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc2OCOc2c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc2cnccc2c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1ccc2ncccc2c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1cccc(c1)C#N)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OC1OCCNC1c1cccc2nccnc12)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OCC1CNCCN1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1OCC[C@@]1(CC[C@@H](CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1 |r,wU:14.18,11.11,(31.13,-18.84,;31.91,-17.51,;33.45,-17.52,;34.23,-16.19,;33.46,-14.85,;34.23,-13.52,;31.92,-14.85,;31.16,-16.17,;29.62,-16.16,;28.85,-14.82,;27.31,-14.82,;26.54,-16.15,;25.18,-16.86,;25.14,-18.4,;26.44,-19.21,;27.8,-18.49,;27.85,-16.94,;26.39,-20.75,;25.04,-21.47,;23.52,-21.43,;24.24,-22.77,;25.44,-15.04,;23.94,-15.45,;22.84,-14.35,;23.24,-12.84,;24.75,-12.44,;25.85,-13.54,;35.77,-16.19,;36.18,-14.7,;37.26,-15.81,;36.53,-17.53,;38.07,-17.54,;38.98,-16.3,;40.44,-16.78,;40.44,-18.32,;38.97,-18.79,)|
Fc1cc(c(F)cc1OCC[C@]1(CC[C@@H](CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1 |r,wU:14.18,wD:11.11,(32.57,-20.69,;33.35,-19.36,;34.89,-19.37,;35.67,-18.04,;34.9,-16.7,;35.67,-15.37,;33.36,-16.7,;32.6,-18.02,;31.06,-18.01,;30.3,-16.68,;28.76,-16.67,;27.98,-18,;26.63,-18.72,;26.58,-20.25,;27.89,-21.06,;29.24,-20.34,;29.3,-18.79,;27.83,-22.6,;26.49,-23.32,;24.96,-23.27,;25.68,-24.62,;26.88,-16.89,;25.38,-17.3,;24.27,-16.2,;24.68,-14.69,;26.19,-14.29,;27.29,-15.39,;37.21,-18.04,;38.71,-17.66,;37.62,-16.55,;37.98,-19.38,;39.52,-19.39,;40.42,-18.15,;41.89,-18.63,;41.88,-20.17,;40.41,-20.64,)|
Fc1cc(c(F)cc1OC[C@@H]1CC(=O)CC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CN(CC(F)(F)F)CCC1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CN(CC(F)(F)F)CC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCCC1c1ccc(Cl)c(Cl)c1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCCC1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCCC1c1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ccncn1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncccn1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1nncs1 |r|
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1cccc(Cl)n1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1cccc(n1)C(F)(F)F |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1ccccn1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1cccnn1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1ccncn1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1cscn1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1ncccn1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(c(F)cc1O[C@H]1CCN(CC(F)(F)F)C[C@@H]1c1ccccc1)S(=O)(=O)Nc1nncs1 |r|
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]c(=O)[nH]c2c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]cnc2c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2nccnc2c1)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cnc2CNCCn12)S(=O)(=O)Nc1ncns1
Fc1cc(cc(F)c1F)S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
Fc1cc(cc2OCCN(c3ccc(cc3C#N)C(F)(F)F)c12)S(=O)(=O)Nc1nccs1
Fc1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Fc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Fc1cc(ccc1Br)S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
Fc1cc(ccc1Cl)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(ccc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1cc(ccc1Cl)[C@@H]1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(ccc1Cl)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1cc(ccc1OC[C@@H]1CNCCC1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F |r|
Fc1ccc(C#N)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1ccc(CCCCNCCCN2CCCCC2)cc1
Fc1ccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1
Fc1ccc(CCN2CCC2)cc1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)cc1
Fc1ccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)nc1
Fc1ccc(CN2CCC2)cc1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1ccc(CN2CCC[C@@H](COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)C2)c(Cl)c1 |r|
Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)c(Cl)c1 |r|
Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
Fc1ccc(CN2CCC[C@H](COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)C2)c(Cl)c1 |r|
Fc1ccc(CN2CCC[C@H](COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)C2)c(Cl)c1 |r|
Fc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2ccc(cc2Cl)S(=O)(=O)Nc2cscn2)cc1Cl |r,THB:5:6:13.12.11:8.9|
Fc1ccc(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c(CN2CCC2)c1
Fc1ccc(COC2CCN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)c(Cl)c1
Fc1ccc(COC2CCN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)CC2)c(Cl)c1
Fc1ccc(C[C@@H]2CN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CCO2)c(Cl)c1 |r|
Fc1ccc(C[C@@H]2CN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)CCO2)c(Cl)c1 |r|
Fc1ccc(Cl)c(CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)c1CN1CCC1
Fc1ccc(Cl)cc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccc(cc1Cl)S(=O)(=O)Nc1cscn1 |r,THB:8:9:16.15.14:11.12|
Fc1ccc(Cl)cc1[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r|
Fc1ccc(F)c(CN2C3CCC2CC3)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CC3(C2)CCOCC3)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CCC2)c1CNc1cc(F)c(c(F)c1F)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CCC2)c1CNc1ccc(c(F)c1F)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CCC2)c1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CN2CCCC2)c1CNc1ccc(c2nccn12)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c1
Fc1ccc(F)c(c1)C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Fc1ccc(F)c(c1)C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc(F)c(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(F)c1
Fc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Fc1ccc(NS(=O)(=O)c2c(F)cc(NCc3c(F)cccc3CN3CCC3)cc2F)nc1
Fc1ccc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
Fc1ccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccccc3)cc2F)nc1 |r|
Fc1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)nc1
Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F
Fc1ccc(Oc2ccc(cc2)-c2ccc3n[nH]c(=O)n3c2)cc1
Fc1ccc(Oc2ccc(cc2)-c2ccc3nn(Cc4nnc(o4)C4CC4)c(=O)n3c2)cc1
Fc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2F)-c2nnc([nH]2)S(=O)(=O)CC2CC2)c(Cl)c1
Fc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2F)-c2nnc([nH]2)S(=O)(=O)CC2CC2)c(F)c1
Fc1ccc([C@H]2CN(CC(F)(F)F)CC[C@@H]2Oc2cc(F)c(cc2F)S(=O)(=O)Nc2cccc(F)n2)c(F)c1 |r|
Fc1ccc(c(Br)c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Fc1ccc(c(Cl)c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Fc1ccc(c(F)c1)-n1nc(OCCN2CCNC2=O)c2cc(F)ccc12
Fc1ccc(c(F)c1)C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc(c(OCC#N)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1ccc(cc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
Fc1ccc(cc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Fc1ccc(cc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Fc1ccc(cc1)-c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Fc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
Fc1ccc(cc1)C(CCCNCCCN1CCCCC1)c1ccc(F)cc1
Fc1ccc(cc1)C(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1c[nH]c(=O)c(Cl)c1
Fc1ccc(cc1)C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1ccc(cc1)C1=CCCNC1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |t:8|
Fc1ccc(cc1)C1CC(=O)NC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1ccc(cc1)C1CCNCC1(F)COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Fc1ccc(cc1)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1ccc(cc1)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)n1cccn1 |r|
Fc1ccc(cc1)C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Fc1ccc(cc1)[C@@H]1CC(=O)NC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1ccc(cc1)[C@@H]1CNCC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1ccc(cc1)[C@H]1CN(CC(F)(F)F)CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cccc(F)n1 |r|
Fc1ccc(cc1C#N)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1ccc(cc1Cl)S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1
Fc1ccc(cc1F)C1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncc(Cl)s1 |r|
Fc1ccc(cc1F)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1ccc(cc1F)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Fc1ccc(cc1F)[C@H]1CN(CC(F)(F)F)CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r|
Fc1ccc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Fc1ccc(cn1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Fc1ccc(cn1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Fc1ccc(cn1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Fc1ccc(nc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Fc1ccc(nc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Fc1ccc(nc1)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
Fc1ccc2NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn3-c2c1
Fc1ccc2OC3(CCN(CC3)C(=O)CCc3ccccc3)CCc2c1
Fc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|
Fc1ccc2cc[nH]c2c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc2cn[nH]c2c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1ccc2n(nc(OCC(=O)N3CCOCC3)c2c1)-c1ccccc1F
Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
Fc1ccc2n(nc(OCCn3cc[nH]c3=O)c2c1)-c1ccccc1F
Fc1ccc2n(nc(OCCn3ccnc3)c2c1)-c1ccccc1F
Fc1cccc(C#N)c1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Fc1cccc(CN2C3CCC2CC3)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccsn1
Fc1cccc(CN2C3CCC2CC3)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2C3CCC2CC3)c1CNc1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2C3CCC2CC3)c1CNc1ccc(c(F)c1F)S(=O)(=O)Nc1ccsn1
Fc1cccc(CN2C3CCC2CC3)c1CNc1ccc(c(F)c1F)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2C3CCC2CC3)c1CNc1ccc(nc1C(F)(F)F)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CC3(CC3(F)F)C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CC3(CC3)C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CC3(CCC3)C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CC3(CCO3)C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CC3(COC3)C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CC3CC3C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC(CC2)Oc2ccc(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Fc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Fc1cccc(CN2CCC(F)(F)CC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccccn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cccnn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccon1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccsn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cnsc1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ncccn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccnn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccon1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1ccc(c(F)c1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1ccc(cn1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC2)c1CNc1cnc(cc1C(F)(F)F)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC22CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC22CCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC22COC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCC3(CCO3)C2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CN2CCCC2)c1CNc1ccc(c(F)c1F)S(=O)(=O)Nc1ccon1
Fc1cccc(CN2CCOCC2)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Fc1cccc(CNC2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Fc1cccc(CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)c1CN1CCC1
Fc1cccc(CNc2cc(F)c(c(F)c2Cl)S(=O)(=O)Nc2cscn2)c1CN1CCC1
Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)c1F
Fc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1F
Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Fc1cccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c1C#N
Fc1cccc(NS(=O)(=O)c2c(F)cc(NCc3c(F)cccc3CN3CCC3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2c(F)cc(NCc3ccccc3CN3CCC3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(NCc3c(F)ccc(F)c3CN3CCC3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(NCc3c(F)cccc3CN3CCC3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(NCc3cccc4ccncc34)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(NCc3ccccc3CN3CCC3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(N[C@H](CN3CCCC3)c3ccccc3)cc2F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(Cl)c(OC3CCN(Cc4ccccc4)CC3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(F)c(OC3CCN(CC(F)(F)F)CC3c3ccc(F)c(F)c3)cc2F)n1
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)cc2F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3cccc(c3)C#N)cc2F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccccc3)cc2F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccccc3F)cc2F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cc(c(OC3CCN(Cc4ccccc4)CC3)cn2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)c(Cl)c2)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-n2cccn2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2OC2CCOCC2)C(F)(F)F)n1 |r|
Fc1cccc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2O[C@H]2CCOC2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-n2cccn2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1 |r|
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOC2=O)C(F)(F)F)n1 |r|
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)n1 |r|
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCS(=O)(=O)CC2)C(F)(F)F)n1 |r|
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2OC2CCOCC2)C(F)(F)F)n1
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2OC2CCOCC2)C(F)(F)F)n1 |r|
Fc1cccc(NS(=O)(=O)c2cnc(NCc3c(F)cccc3CN3CCCC3)c(Cl)c2)n1
Fc1cccc(NS(=O)(=O)c2cnc(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r|
Fc1cccc(c1)-c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Fc1cccc(c1)-c1ccc(c(OCC#N)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Fc1cccc(c1)-c1ccc(c(OCC#N)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1
Fc1cccc(c1)-c1ccc(c(OCC#N)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1
Fc1cccc(c1)C1(CCC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1cccc(c1)[C@H]1CN(CC(F)(F)F)CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cccc(F)n1 |r|
Fc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
Fc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Fc1ccccc1-c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Fc1ccccc1-n1ncc2c(cccc12)N1CC2CN(Cc3ccccc3)CC2C1=O
Fc1ccccc1-n1ncc2c(cccc12)N1CCN(C1=O)c1ccncc1
Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCCC2)C1=O
Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CC2)C1=O
Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2ncco2)C1=O
Fc1ccccc1C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Fc1ccccc1C1(CC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1ccccc1C1(CCC1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1ccccc1CN1CCC(CC1)Oc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1ccccc1CN1CC[C@H](C1)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Fc1ccccc1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc12
Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Fc1ccccc1[C@@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Fc1cccnc1-c1c(NC(=O)c2cccc(c2)-c2ncccc2C(F)(F)F)cccc1C(F)(F)F |(59.44,-10.99,;58.1,-11.76,;56.77,-10.99,;55.44,-11.76,;55.44,-13.3,;56.77,-14.07,;58.1,-13.3,;59.43,-14.07,;60.76,-13.3,;60.75,-11.76,;62.08,-10.98,;63.42,-11.75,;62.08,-9.44,;63.41,-8.68,;63.41,-7.14,;62.07,-6.37,;60.74,-7.15,;60.75,-8.69,;59.4,-6.39,;58.08,-7.17,;56.74,-6.42,;56.73,-4.87,;58.06,-4.09,;59.39,-4.85,;60.72,-4.07,;59.95,-2.74,;61.49,-2.73,;62.06,-4.84,;62.09,-14.06,;62.1,-15.61,;60.76,-16.38,;59.43,-15.61,;58.09,-16.38,;59.18,-17.47,;57.69,-17.86,;56.76,-15.61,)|
Fc1cccnc1CN1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12
Fc1cccnc1NS(=O)(=O)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F |r|
Fc1ccnc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccccc3)cc2F)c1 |r|
Fc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
Fc1cnc(-c2ccccc2OCC#N)c2ccc(cc12)S(=O)(=O)Nc1nccs1
Fc1cnc(CCN2C(C(=O)NCc3ccc(F)c(OC(F)(F)F)c3)c3ccccc3C2=O)nc1
Fc1cnc(CCN2C(C(=O)NCc3ccc(F)c(c3)C(F)(F)F)c3ccccc3C2=O)nc1
Fc1cnc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1
Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1
Fc1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(F)c1
Fc1cnc(NS(=O)(=O)N2CCc3c(C2)cccc3-c2ccc(cc2-n2ccnc2)C(F)(F)F)s1
Fc1cnc(NS(=O)(=O)N2CCc3c(C2)cccc3-c2ccc(cc2C2=CCNCC2)C(F)(F)F)s1 |t:28|
Fc1cnc(NS(=O)(=O)N2CCc3c(C2)cccc3-c2ccc(cc2C2CCNCC2)C(F)(F)F)s1
Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)s1
Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
Fc1cnc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccccc3)cc2F)s1 |r|
Fc1cnc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-c2ccc(F)nc2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-c2nccs2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2N2CCCC2=O)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@@H](CCOc3c2)c2ccc(cc2OC2CCOCC2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2ccc(F)nc2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-c2nccs2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)nc1 |r|
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCCC2=O)C(F)(F)F)nc1
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOC2=O)C(F)(F)F)nc1 |r|
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)nc1 |r|
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCS(=O)(=O)CC2)C(F)(F)F)nc1 |r|
Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2OC2COC2)C(F)(F)F)nc1 |r|
Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1
NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
NC(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
NC(=O)N1CCC([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncc(Cl)s2)C1)c1ccc(F)c(F)c1 |r|
NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@H](CCc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2CCCCc12)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)[C@H](CCc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2ccccc12)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)[C@H](CCc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)[C@H](CCc1ccc2cc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)ccc2c1)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)[C@H](Cc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2CCCCc12)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)[C@H](Cc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2ccccc12)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)[C@H](Cc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
NC(=O)[C@H](Cc1ccc2cc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)ccc2c1)NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
NC(=O)c1cc(C2CC2)c(CN2CC(C2)Oc2cc(Cl)cc(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)OCc2cc(Cl)cc(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(c(Cl)cn2)C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(cc(Cl)c2F)C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)c(c2)C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)cc2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(F)cc2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(F)cc2Cl)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccccc2C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ncc(cc2Cl)C(F)(F)F)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)c2cc(Cl)cc(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Sc2cc(Cl)cc(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCC(CF)(CC2)c2ccc(F)cc2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
NC(=O)c1cc(C2CC2)c(CN2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
NC(=O)c1cc(C2CC2)c(CN2C[C@@H]3C[C@H]2CN3S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F |r|
NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F |r,THB:10:11:18.17.16:13.14|
NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cc(c(Cl)cn2)C(F)(F)F)cc1F |r,THB:10:11:16.18.17:13.14|
NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2ncc(cc2Cl)C(F)(F)F)cc1F |r,THB:10:11:16.18.17:13.14|
NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cc(Cl)cc(Cl)c2)cc1F |r,THB:10:11:16.18.17:13.14|
NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)c2cc(Cl)cc(Cl)c2)cc1F |r|
NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)c2ccccc2)cc1F |r|
NC(=O)c1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
NC(NC(=O)c1c(Cl)cccc1Cl)=NCCCCc1ccccc1 |w:13.14|
NC(NC(=O)c1cc(Cl)ccc1Cl)=NCCCCc1ccccc1 |w:13.14|
NC(NC(=O)c1ccc(Cl)c(Cl)c1)=NCCCCc1ccccc1 |w:13.14|
NC(NC(=O)c1ccc(Cl)cc1)=NCCCCc1ccccc1 |w:12.13|
NC(NC(=O)c1cccc(Cl)c1Cl)=NCCCCc1ccccc1 |w:13.14|
NC(NC(=O)c1cccc2ccccc12)=NCCCCc1ccccc1 |w:15.17|
NC(NC(=O)c1ccco1)=NCCCCc1ccccc1 |w:10.11|
NC(NC(=O)c1cccs1)=NCCCCc1ccccc1 |w:10.11|
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12|
NCC(=O)NCc1nc2cc(Cl)c(Cl)cc2[nH]1
NCC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2)C(N)=O |r,wU:66.69,85.88,21.127,95.99,101.105,9.9,30.115,115.120,49.49,35.35,wD:45.45,77.80,26.128,15.15,5.4,39.39,(33.73,-5.52,;32.41,-6.3,;32.42,-7.84,;31.09,-8.63,;31.1,-10.17,;29.78,-10.95,;29.81,-9.4,;28.48,-8.61,;27.14,-9.36,;28.51,-7.05,;29.85,-6.3,;31.18,-7.08,;27.17,-6.26,;27.2,-4.71,;28.54,-3.95,;25.87,-3.93,;24.53,-4.69,;24.52,-6.23,;25.88,-2.38,;24.54,-1.59,;24.55,-.05,;23.2,-2.36,;21.87,-1.58,;20.53,-2.35,;19.2,-1.57,;17.87,-2.34,;16.54,-1.56,;15.21,-2.34,;15.21,-3.88,;16.55,-4.65,;13.9,-4.65,;12.56,-3.88,;11.23,-4.65,;15.2,-6.98,;16.53,-6.21,;17.86,-6.98,;17.86,-8.52,;16.53,-9.29,;15.19,-8.52,;16.53,-10.83,;15.19,-11.6,;17.86,-11.6,;19.19,-10.84,;24.41,-10.84,;25.74,-11.6,;25.75,-13.15,;27.06,-13.95,;28.39,-13.22,;28.38,-11.67,;29.71,-14.02,;29.67,-15.56,;30.99,-16.36,;31.12,-17.9,;32.62,-18.25,;33.41,-16.93,;34.92,-16.65,;35.43,-15.2,;34.42,-14.04,;32.92,-14.33,;32.42,-15.77,;31.06,-13.28,;31.1,-11.74,;32.45,-10.99,;24.42,-13.88,;24.38,-15.42,;23.12,-13.08,;21.89,-13.71,;21.87,-15.25,;23.19,-16.04,;23.16,-17.58,;24.48,-18.38,;24.46,-19.92,;25.78,-20.71,;23.11,-20.66,;20.57,-12.97,;20.55,-11.43,;19.26,-13.76,;17.86,-13.14,;17.92,-14.55,;19.25,-15.34,;19.23,-16.88,;20.59,-14.58,;16.62,-13.81,;16.65,-15.35,;15.28,-13.07,;13.95,-13.86,;13.97,-15.4,;12.65,-16.19,;12.5,-17.73,;10.99,-18.07,;10.21,-16.74,;11.22,-15.58,;12.61,-13.12,;12.6,-11.58,;11.28,-13.9,;9.93,-13.14,;8.6,-13.92,;7.26,-13.16,;9.92,-11.6,;8.58,-10.84,;11.24,-10.81,;11.24,-9.27,;9.9,-8.51,;9.89,-6.97,;8.55,-6.21,;8.54,-4.67,;7.2,-3.9,;7.19,-2.36,;5.87,-4.68,;12.56,-8.49,;13.9,-9.25,;12.57,-6.96,;19.2,-6.22,;19.2,-4.68,;20.53,-6.99,;21.86,-6.22,;23.2,-6.99,;23.2,-8.53,;21.86,-9.3,;24.53,-9.3,;21.87,-4.68,;20.53,-3.91,;23.2,-3.91,;16.54,-.02,;17.87,.75,;15.21,.75,)|
NCCCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
NCCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
NC[C@H](Oc1noc2ccc(nc12)-c1ccccc1Cl)c1ccccc1 |r|
NC[C@H](Oc1noc2ncc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
NCc1nsc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1 |r,c:4|
N[C@H]1CC[C@@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(2.3,-59.56,;2.29,-58.02,;.96,-57.25,;.96,-55.71,;2.3,-54.94,;2.3,-53.39,;3.62,-52.63,;3.61,-51.07,;4.95,-50.28,;4.95,-48.74,;6.28,-47.97,;6.28,-46.43,;7.61,-48.73,;7.61,-50.28,;6.27,-51.05,;6.28,-52.59,;8.95,-47.95,;8.18,-46.61,;9.72,-46.61,;10.3,-48.72,;11.63,-47.94,;11.62,-46.41,;13.08,-45.93,;13.99,-47.17,;13.09,-48.42,;3.62,-55.7,;3.62,-57.25,)|
N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)|
N[C@H]1CC[C@@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(22.89,-44.29,;22.94,-42.75,;21.64,-41.94,;21.69,-40.41,;23.04,-39.69,;23.82,-38.36,;25.35,-38.37,;26.12,-39.7,;27.66,-39.71,;28.42,-38.39,;29.95,-38.39,;30.73,-37.06,;30.73,-39.73,;29.95,-41.06,;28.41,-41.06,;27.63,-42.38,;32.26,-39.74,;32.68,-38.25,;33.76,-39.35,;33.03,-41.08,;34.57,-41.08,;35.48,-39.84,;36.94,-40.32,;36.93,-41.86,;35.47,-42.33,;24.36,-40.48,;24.3,-42.03,;21.94,-38.59,;22.35,-37.08,;21.25,-35.98,;19.75,-36.38,;19.34,-37.89,;20.44,-38.99,)|
N[C@H]1CC[C@@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(70.59,-20.09,;70.64,-18.56,;69.33,-17.74,;69.38,-16.21,;70.73,-15.49,;71.51,-14.16,;73.05,-14.17,;73.81,-15.51,;75.35,-15.52,;76.11,-14.19,;77.65,-14.2,;78.42,-12.87,;78.42,-15.54,;77.64,-16.87,;76.1,-16.86,;75.32,-18.18,;79.96,-15.54,;80.37,-14.05,;81.45,-15.15,;80.72,-16.88,;82.26,-16.88,;83.17,-15.64,;84.63,-16.12,;84.62,-17.66,;83.16,-18.13,;72.05,-16.29,;72,-17.83,;69.63,-14.39,;70.04,-12.89,;68.95,-11.79,;67.44,-12.19,;67.04,-13.7,;68.14,-14.79,)|
N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:4.4,1.0,(66.64,-7.74,;66.69,-6.2,;65.39,-5.39,;65.44,-3.85,;66.79,-3.14,;67.56,-1.81,;69.1,-1.82,;69.86,-3.15,;71.4,-3.16,;72.17,-1.84,;73.7,-1.84,;74.47,-.51,;74.47,-3.18,;73.69,-4.51,;72.16,-4.5,;71.38,-5.83,;76.01,-3.18,;76.42,-1.69,;77.5,-2.8,;76.77,-4.52,;78.31,-4.53,;79.22,-3.29,;80.68,-3.77,;80.67,-5.31,;79.21,-5.78,;68.1,-3.93,;68.05,-5.47,;65.69,-2.04,;66.1,-.53,;65,.58,;63.49,.17,;62.41,1.26,;63.09,-1.34,;64.19,-2.44,)|
N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(27.38,-21.24,;27.43,-19.7,;26.12,-18.89,;26.17,-17.36,;27.52,-16.64,;28.3,-15.31,;29.84,-15.32,;30.6,-16.66,;32.14,-16.66,;32.9,-15.34,;34.44,-15.34,;35.21,-14.01,;35.21,-16.69,;34.43,-18.01,;32.89,-18.01,;32.11,-19.33,;36.74,-16.69,;37.16,-15.2,;38.24,-16.3,;37.51,-18.03,;39.05,-18.03,;39.95,-16.79,;41.42,-17.27,;41.41,-18.81,;39.94,-19.28,;28.84,-17.43,;28.79,-18.98,;26.42,-15.54,;26.83,-14.03,;25.74,-12.93,;24.23,-13.33,;23.83,-14.85,;24.93,-15.94,)|
N[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(46.21,-58.36,;47.55,-57.58,;47.55,-56.04,;48.89,-55.27,;50.21,-56.04,;51.54,-55.27,;51.52,-53.72,;52.86,-52.92,;52.86,-51.39,;54.19,-50.61,;54.19,-49.08,;55.53,-51.38,;55.53,-52.93,;54.19,-53.69,;54.19,-55.23,;56.86,-50.6,;56.09,-49.26,;57.63,-49.26,;58.21,-51.37,;59.53,-50.59,;59.53,-49.05,;60.99,-48.58,;61.89,-49.81,;61,-51.06,;50.21,-57.58,;48.88,-58.35,)|
N[C@H]1CC[C@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(42.57,-44.7,;42.62,-43.17,;41.32,-42.35,;41.37,-40.82,;42.72,-40.1,;43.49,-38.77,;45.03,-38.78,;45.8,-40.12,;47.33,-40.12,;48.1,-38.8,;49.63,-38.81,;50.4,-37.47,;50.4,-40.15,;49.63,-41.48,;48.09,-41.47,;47.31,-42.79,;51.94,-40.15,;52.35,-38.66,;53.44,-39.76,;52.71,-41.49,;54.25,-41.49,;55.15,-40.25,;56.62,-40.73,;56.61,-42.27,;55.14,-42.74,;44.03,-40.9,;43.98,-42.44,;41.62,-39,;42.03,-37.49,;40.93,-36.39,;39.42,-36.79,;39.02,-38.31,;40.12,-39.4,)|
N[C@H]1CC[C@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(3.92,-32.53,;3.97,-31,;2.67,-30.18,;2.72,-28.65,;4.07,-27.93,;4.84,-26.6,;6.38,-26.61,;7.14,-27.95,;8.68,-27.95,;9.45,-26.63,;10.98,-26.64,;11.75,-25.31,;11.75,-27.98,;10.97,-29.31,;9.44,-29.3,;8.66,-30.62,;13.29,-27.98,;13.7,-26.49,;14.79,-27.59,;14.05,-29.32,;15.59,-29.32,;16.5,-28.08,;17.96,-28.56,;17.96,-30.1,;16.49,-30.57,;5.38,-28.73,;5.33,-30.27,;2.97,-26.83,;3.38,-25.33,;2.28,-24.22,;.77,-24.63,;.37,-26.14,;1.47,-27.23,)|
N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.4,(6.2,-22.18,;6.25,-20.64,;4.94,-19.82,;4.99,-18.29,;6.34,-17.57,;7.12,-16.25,;8.66,-16.25,;9.42,-17.59,;10.96,-17.6,;11.72,-16.28,;13.26,-16.28,;14.03,-14.95,;14.03,-17.62,;13.25,-18.95,;11.71,-18.94,;10.93,-20.27,;15.57,-17.62,;15.98,-16.13,;17.06,-17.23,;16.33,-18.96,;17.87,-18.97,;18.78,-17.73,;20.24,-18.21,;20.23,-19.74,;18.77,-20.21,;7.66,-18.37,;7.61,-19.91,;5.24,-16.47,;5.65,-14.97,;4.56,-13.87,;3.05,-14.27,;1.96,-13.18,;2.65,-15.78,;3.75,-16.88,)|
N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)|
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Nc1c(cnn1-c1ccccc1-c1cccnc1)C(=O)Nc1ccc(Cl)cn1
Nc1c(cnn1-c1ccccc1O)C(=O)Nc1ccc(cn1)C(F)(F)F
Nc1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Nc1cc(ccn1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Nc1cc(ccn1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Nc1cc(ccn1)-c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Nc1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F
Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C#N)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C3CC3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3cccc(Cl)c3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(cc3)C3CC3)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1
Nc1n[nH]c2cc(ccc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Nc1n[nH]c2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F
Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)C(F)(F)F
Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r|
Nc1nc(cn1C(=O)c1ccc[nH]1)-c1cccc(NC(=O)c2ccc[nH]2)c1
Nc1nc2CCC(CNC(=O)c3cc(Br)c(Br)[nH]3)Cc2s1
Nc1nc2CCC(CNC(=O)c3cc(Br)c[nH]3)Cc2s1
Nc1nc2CCC(CNC(=O)c3cc4ccccc4[nH]3)Cc2s1
Nc1nc2CCC(CNC(=O)c3ccc[nH]3)Cc2s1
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c[nH]1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1ccc[nH]1 |r|
Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1ccco1 |r|
Nc1nc2CC[C@@H](Cc2s1)NCc1ccc[nH]1 |r|
Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Nc1nc2ccc(SC(F)(F)F)cc2s1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Nc1nn(CCCO)c2cc(ccc12)-c1ccccc1C(F)(F)F
Nc1nn(CCCO)c2cc(ccc12)-c1ccccc1OC(F)(F)F
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
O=C(COc1cccc2cccnc12)Nc1ccccc1N1CCOCC1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ncccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1ncon1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nnco1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1ccnn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cncn1
O=C(NC1CCc2ccccc12)N1CCC2(CC1)CC(=O)c1ccccc1O2
O=C(NC1CCc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1CCc2ccccc2C1)N1CCC2(CC1)CC(=O)c1ccccc1O2
O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1CCc2ccccc2CC1)N1CCC2(CC1)CC(=O)c1ccccc1O2
O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
O=C(NS(=O)(=O)N1CCC1)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:25:16:23:19.20.21,THB:25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17,15:16:23:19.20.21|
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ncccc1O2 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r|
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1
O=C1CCCc2ccc(cc12)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
O=C1CCN(C1)[C@@H]1CCCC[C@H]1OCCc1cccc2ccccc12
O=C1CCN(C1)[C@H]1CCCC[C@@H]1OCCc1cccc2ccccc12
O=C1COc2cc(ccc2N1Cc1ccccc1)S(=O)(=O)Nc1ncns1
O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)|
O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc(cc1)-n1cccn1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc(cc1)-n1ccnc1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc(cc1)C#N
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc2ncccc2c1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc2nccnc2c1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc2ncsc2c1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc2scnc2c1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1cccc(CC#N)c1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1cccc2cccnc12
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1cccc2ccncc12
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1cccc2scnc12
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1-c1ccncc1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1C#N
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1C1CCOCC1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1N1CCNCC1
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1cncc(c1)C#N
O=S(=O)(Nc1nccs1)c1ccc2N(Cc3c[nH]c4cccnc34)CCOc2c1
O=S(=O)(Nc1nccs1)c1ccc2N(Cc3ccccc3)CCOc2c1
O=S(=O)(Nc1ncns1)N1CCc2c(C1)cccc2-c1cccc2CNCCc12
O=S(=O)(Nc1ncns1)N1CCc2c(C1)cccc2-c1cccc2[nH]ncc12
O=S(=O)(Nc1ncns1)N1CCc2c(C1)cccc2-c1cccc2ccccc12
O=S(=O)(Nc1ncns1)N1CCc2c(C1)cccc2-c1cncc2ccccc12
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1cccc2ccccc12
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1cccc2ncccc12
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1ccccc1
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1ccccc1C#N
O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)-c1ccccc1
O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOC(C1)c1ccccc1
O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 |TLB:21:12:19:15.17.16,11:12:19:15.17.16,THB:17:18:13:15.16.21,17:16:13:19.18.20,21:16:19:12.13.20|
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
O=c1oc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1
O=c1sc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1
OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
OC(=O)CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccc(c1)C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccn1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccnc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccncc1
OC(=O)CCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCCOc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(cc2)C(F)(F)F)c1=O
OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|
OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
OC(=O)c1ccc(cc1)-c1cc(ccc1[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F |r|
OC(=O)c1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
OC(=O)c1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O
OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3C3CC3)C(F)(F)F)CC2)OC1=O
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
OC(COCc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)C(=O)Nc1ccccc1
OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)NC(=O)c1ccccc1
OC(COc1cccc(c1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1cccc(c1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)C(=O)Nc1ccccc1
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)n1c2ccccc2oc1=O
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)CCc12
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)COc12
OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12
OC(COc1ccccc1C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
OC1(CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1)C(F)(F)F
OC12CC3CC(C1)CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2 |TLB:28:8:2.3.4:6,THB:28:3:6:29.8.7,7:8:2:4.5.6,7:5:2:29.28.8,9:8:2.3.4:6|
OC1C2CC3CC1CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2 |TLB:29:8:1.2.3:5,0:1:7.29.8:3.4.5,0:1:5:7.8.28,THB:29:2:5:7.8.28,28:8:1:3.4.5,28:4:1:7.29.8,9:8:1.2.3:5,(19.79,-20.93,;21.33,-20.94,;22.18,-19.63,;21.12,-18.45,;21.09,-16.84,;20.39,-18.08,;21.39,-19.19,;22.7,-18.68,;23.51,-17.49,;24.85,-16.73,;24.85,-15.19,;26.18,-14.42,;26.19,-12.87,;27.51,-12.1,;27.51,-10.56,;28.85,-12.87,;28.85,-14.42,;27.52,-15.19,;27.52,-16.73,;30.18,-12.09,;29.4,-10.75,;30.95,-10.74,;31.52,-12.86,;32.85,-12.08,;34.25,-12.71,;35.28,-11.56,;34.5,-10.23,;33,-10.55,;22.51,-16.35,;23.6,-19.12,)|
OC1CC2(CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)Oc2cccnc12 |r|
OC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:29:20:27:23.24.25,THB:19:20:27:23.24.25,29:24:27:20.28.21,28:20:23:27.26.25,28:26:23:20.29.21|
OCC(O)Cc1cc(Cl)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
OCC(O)Cc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
OCC(O)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
OCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
OCCCNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:29:20:27:23.24.25,THB:19:20:27:23.24.25,29:24:27:20.28.21,28:20:23:27.26.25,28:26:23:20.29.21|
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
OCCc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
OC[C@@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)|
OC[C@@H](O)Cc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
OC[C@H](Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
OC[C@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;3.33,1.92,;4.67,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)|
OC[C@H](O)Cc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
OCc1c(F)ccc(F)c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
OCc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
OCc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
OCc1cc(ccn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
OCc1ccc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
OCc1nc(Cn2nc3ccc(cn3c2=O)-c2ccc(Oc3ccc(F)cc3)cc2)no1
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r|
O[C@@H]1CCC([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
O[C@@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
O[C@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
O[C@H]1CCN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |r,TLB:30:21:28:24.25.26,THB:20:21:28:24.25.26,30:25:28:21.29.22,29:21:24:28.27.26,29:27:24:21.30.22|
O[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(4.65,-11.88,;5.99,-11.12,;6,-9.58,;7.33,-8.82,;8.66,-9.59,;9.99,-8.82,;9.99,-7.28,;11.33,-6.51,;11.33,-4.97,;12.66,-4.2,;12.65,-2.66,;13.99,-4.96,;14,-6.51,;12.66,-7.28,;12.66,-8.82,;15.32,-4.18,;14.54,-2.85,;16.09,-2.84,;16.66,-4.95,;17.99,-4.18,;19.4,-4.8,;20.42,-3.66,;19.65,-2.33,;18.14,-2.65,;8.66,-11.13,;7.32,-11.89,)|
O[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,wD:1.0,(42.45,-33.72,;43.79,-32.96,;45.12,-33.73,;46.46,-32.97,;46.45,-31.43,;47.79,-30.66,;47.79,-29.12,;49.12,-28.35,;49.13,-26.81,;50.46,-26.04,;50.45,-24.5,;51.79,-26.8,;51.8,-28.35,;50.46,-29.12,;50.46,-30.66,;53.12,-26.02,;52.34,-24.69,;53.89,-24.68,;54.46,-26.79,;55.79,-26.02,;57.19,-26.64,;58.22,-25.49,;57.44,-24.16,;55.94,-24.49,;45.12,-30.66,;43.79,-31.42,)|
O[C@H]1C[C@H](C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |wU:1.0,3.5,(11.12,-1.96,;9.78,-1.19,;8.3,-1.59,;7.9,-.1,;9.38,.3,;6.56,.67,;5.23,-.1,;5.23,-1.64,;3.9,.67,;3.9,2.21,;2.56,2.98,;1.23,2.21,;-.11,2.98,;-1.44,2.21,;-2.77,2.98,;-4.11,2.21,;-4.11,.67,;-5.44,-.1,;-6.77,.67,;-6.77,2.21,;-5.44,2.98,;-8.11,-.1,;-9.44,-.87,;-7.34,-1.43,;-8.88,1.23,;-1.44,.67,;-.11,-.1,;1.23,.67,;2.56,-.1,)|
O[C@]12CCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCC2 |r,wU:5.6,1.0,(24.36,-1.35,;24.38,-2.89,;22.8,-2.58,;21.96,-3.88,;22.93,-5.07,;24.37,-4.52,;24.37,-6.06,;25.7,-6.83,;27.03,-6.06,;27.04,-4.52,;28.36,-3.75,;28.36,-2.21,;29.7,-4.51,;29.71,-6.06,;28.37,-6.83,;28.37,-8.37,;31.03,-3.73,;30.25,-2.4,;31.8,-2.39,;32.37,-4.5,;33.7,-3.73,;35.1,-4.35,;36.13,-3.2,;35.35,-1.87,;33.85,-2.2,;25.86,-4.92,;26.69,-3.63,;25.72,-2.43,)|
Oc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Oc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
Oc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Oc1cccc2C(N(CCc3ncc(F)cn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1
[H]C12CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1([H])CSSCC(NC(=O)C(CC(O)=O)NC(=O)C(C)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC3([H])CSSCC([H])(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC2=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC([H])(C(C)O)C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CSSCC([H])(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C2([H])CCCN2C(=O)C([H])(NC3=O)C(C)CC)C(=O)N1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(N)=O
[H]C12CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1([H])CSSCC(NC(=O)C(N)CC(O)=O)C(=O)NC(C)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC3([H])CSSCC([H])(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC2=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC([H])(C(C)O)C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CSSCC([H])(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C2([H])CCCN2C(=O)C([H])(NC3=O)C(C)CC)C(=O)N1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(N)=O
[H]C12CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1([H])CSSCC(NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC3([H])CSSCC([H])(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC2=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC([H])(C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CSSCC([H])(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C2([H])CCCN2C(=O)C([H])(NC3=O)C(C)CC)C(=O)N1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(N)=O
[H]C12CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1([H])CSSCC(NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC3([H])CSSCC([H])(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC2=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC([H])(C(C)O)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CSSCC([H])(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C2([H])CCCN2C(=O)C([H])(NC3=O)C(C)CC)C(=O)N1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
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