2896 SMILES Strings for Glutamate receptor ionotropic, NMDA 2B
Compound Name
SMILES String
Brc1cc2CCC(CCc2s1)NCCCCc1ccccc1
Brc1cc2CCC(CCc2s1)NCCCc1ccccc1
Brc1cn(CC(=O)N2CCOCC2)c2cc(cnc12)-c1ccccc1
Brc1cn(CC(=O)NC2CC2)c2cc(cnc12)-c1ccccc1
C(C1CCN(CC1)C1CCc2ccccc2C1)c1ccccc1
C(C1CCN(CC1)C1CCc2ccccc2CC1)c1ccccc1
C(C1CCN(CC1)C1Cc2ccccc2C1)c1ccccc1
C(CCc1ccccc1)CN1CCCc2ccccc2CC1
C(CCc1ccccc1)CNC1CCc2ccccc2C1
C(CCc1ccccc1)CNC1CCc2ccccc2CC1
C(CCc1ccccc1)CNC1CCc2ccsc2CC1
C(CCc1ccccc1)CNC1Cc2ccccc2C1
C(CN1CCC(CNc2ncccn2)CC1)Cc1ccccc1
C(CN1CCC(Cc2ccccc2)CC1)Sc1ccccc1
C(CN1CCC(Cc2ccccc2)CC1)Sc1nc2ccccc2[nH]1
C(CN1CCC(Cc2ccccc2)CC1)Sc1nc2ncccc2[nH]1
C(CN1CCC(Cc2ccccc2)CC1)Sc1ncc[nH]1
C(CN1CCC(Cc2ccccc2)CC1)Sc1nnc[nH]1
C(CN1CCCc2ccccc2CC1)Cc1ccccc1
C(CNC1CCc2ccccc2C1)Cc1ccccc1
C(CNC1CCc2ccccc2CC1)Cc1ccccc1
C(CNC1CCc2ccsc2CC1)Cc1ccccc1
C(CNC1Cc2ccccc2C1)Cc1ccccc1
C(CSc1ccccc1)CN1CCC(Cc2ccccc2)CC1
C(CSc1nc2ccccc2[nH]1)CN1CCC(Cc2ccccc2)CC1
C(CSc1nc2ncccc2[nH]1)CN1CCC(Cc2ccccc2)CC1
C(CSc1ncc[nH]1)CN1CCC(Cc2ccccc2)CC1
C(CSc1nnc[nH]1)CN1CCC(Cc2ccccc2)CC1
C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1
C(Cc1ccccc1)NC1CCc2ccccc2C1
C(Cc1ccccc1)NC1CCc2ccccc2CC1
C(Cc1ccccc1)NC1CCc2ccsc2CC1
C(Cc1ccccc1)NC1Cc2ccccc2C1
C(N1CCCCC1)c1cccc2nc([nH]c12)-c1ccccc1
C(NC1CCc2ccccc2C1)c1ccccc1
C(NC1CCc2ccccc2CC1)c1ccccc1
C(c1cc[nH]n1)n1cc(cn1)-c1cccc(c1)C1CC1
C1C(Cc2ccccc12)N1CCC(CC1)c1ccccc1
C1CN(CCC1c1ccccc1)C1CCc2ccccc2CC1
C1CN(CCN1C1CCc2ccccc2CC1)c1ccccc1
C1C[C@@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,wD:2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
C1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
CC(=O)CCn1ccc2ncc(cc12)-c1ccc(F)cc1
CC(=O)Nc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CC(=O)Nc1ccc(cc1)C(O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r,w:10.11|
CC(=O)Nc1ccc(cn1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CC(=O)Nc1ccc(cn1)C(O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r,w:10.11|
CC(=O)Nc1cccc(c1)-c1cncc(CNC2CCCC2)n1
CC(=O)c1ccc(cc1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(C(=O)N1CCC1)n1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CC(C(=O)NC1CC1)n1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1 |w:2.2,1.0|
CC(C(O)c1ccc(O)c(C)c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:1.0,2.2|
CC(C(O)c1ccc(O)c(Cl)c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:1.0,2.2|
CC(C(O)c1ccc(O)c(c1)-c1ccccc1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc(O)c(c1)C(C)(C)C)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
CC(C(O)c1ccc(O)cc1)N1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1 |r,w:2.2,1.0|
CC(C(O)c1ccc(O)cc1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(cc1)C(C)(C)C |r,w:1.0,2.2|
CC(C(O)c1ccc(O)cc1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r,w:2.2,1.0|
CC(C(O)c1ccc(O)cc1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1C |r,w:1.0,2.2|
CC(C(O)c1ccc(O)cc1)N1C[C@H]2C[C@](O)(CCc3ccccc3)C[C@H]2C1 |r,w:2.2,1.0|
CC(C(O)c1ccc(O)cc1C)N1CCC(O)(CC1)c1ccc(F)cc1 |w:1.0,2.2|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(C)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(Cl)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc2CCOCc2c1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1cccc(COc2ccccc2)c1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1cccc(F)c1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)N(C)Cc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)NCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)OCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
CC(C(O)c1ccc2[nH]c(=O)oc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
CC(C)(C)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(CO)c(F)c1
CC(C)(C)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(CO)cc1
CC(C)(C)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CC(C)(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)cc(F)c1
CC(C)(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
CC(C)(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)F
CC(C)(C)C(=O)Nc1ccc(cn1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CC(C)(C)C(=O)Nc1ccc(cn1)C(O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r,w:13.14|
CC(C)(C)OC(=O)Nc1ccc(cn1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CC(C)(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
CC(C)(C)c1ccc(CSc2nc(N)cc(O)n2)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1scc(c1C(O)=O)-c1ccccc1
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(CC(O)c3cccc(F)c3)C[C@@H]2C1 |r,w:17.18|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(CC(O)c3cccc(c3)C(F)(F)F)C[C@@H]2C1 |r,w:17.18|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(Cl)c1 |r|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C#N |r|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccccc1 |r|
CC(C)(C)c1ccc(cc1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)c1ccccn1 |r|
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CC(C)(O)c1ccc(cc1)C(=O)CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r|
CC(C)(O)c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CC(C)(O)c1ccc(cc1)C(O)CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r,w:10.11|
CC(C)(O)c1ccc(cc1)C(O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r,w:10.11|
CC(C)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(C)cs1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(Cl)s1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(C)c1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(F)c1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)cc1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(C)c1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(F)c1
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
CC(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1)C(F)F
CC(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)cc(F)c1
CC(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CC(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1C
CC(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1C
CC(C)C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:15|
CC(C)C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
CC(C)C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC(C)C(O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CC(C)C(O)Cn1ccc2ncc(cc12)-c1cc(F)cc(F)c1
CC(C)CCCc1ccc2cc(ccc2c1)C(O)=O
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:15|
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:15|
CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC(C)CCn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CC(C)CNC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,wU:81.89,73.74,57.59,43.50,24.24,98.100,121.123,135.138,146.148,wD:61.71,52.54,29.41,12.20,4.4,109.111,130.133,140.142,75.77,(1.79,-21.01,;1.79,-19.47,;3.13,-18.7,;.46,-18.7,;.46,-17.15,;-.87,-16.38,;-2.2,-17.15,;-2.2,-18.69,;-3.53,-16.38,;-4.86,-17.15,;-6.2,-16.38,;-6.2,-14.84,;-7.52,-17.15,;-7.53,-18.69,;-6.74,-20.01,;-7.49,-21.35,;-9.03,-21.37,;-6.7,-22.67,;-5.2,-19.98,;-4.41,-21.3,;-4.45,-18.63,;-8.86,-16.37,;-10.19,-17.14,;-10.19,-18.68,;-11.52,-16.37,;-11.52,-14.84,;-12.87,-17.14,;-14.2,-16.37,;-14.2,-14.83,;-15.54,-17.14,;-15.54,-18.68,;-14.19,-19.45,;-12.96,-18.55,;-11.71,-19.45,;-12.18,-20.9,;-11.42,-22.23,;-12.18,-23.56,;-13.73,-23.57,;-14.49,-22.23,;-13.73,-20.9,;-16.87,-16.37,;-18.19,-17.13,;-18.19,-18.68,;-19.54,-16.36,;-19.54,-14.83,;-18.19,-14.06,;-18.19,-12.52,;-16.86,-11.75,;-16.86,-10.22,;-20.86,-17.13,;-22.19,-16.36,;-22.19,-14.82,;-23.53,-17.12,;-23.53,-18.67,;-24.86,-16.35,;-26.19,-17.12,;-26.19,-18.66,;-27.53,-16.35,;-28.86,-17.12,;-30.19,-16.35,;-30.19,-14.81,;-31.53,-17.12,;-31.53,-18.66,;-30.72,-19.97,;-31.46,-21.32,;-33.01,-21.37,;-30.66,-22.64,;-29.18,-19.93,;-28.38,-21.25,;-28.45,-18.58,;-32.86,-16.35,;-34.18,-17.11,;-34.18,-18.65,;-35.51,-16.34,;-35.43,-14.8,;-37.09,-14.46,;-37.78,-12.94,;-37.91,-15.92,;-36.77,-17.17,;-36.82,-18.69,;-35.52,-19.52,;-38.17,-19.43,;-39.49,-18.63,;-40.84,-19.37,;-42.16,-18.57,;-42.11,-17.03,;-43.5,-19.3,;-38.21,-20.97,;-36.91,-21.78,;-35.55,-21.04,;-36.95,-23.31,;-35.63,-24.11,;-27.53,-14.81,;-26.19,-14.05,;-28.86,-14.04,;1.79,-16.39,;1.79,-14.86,;3.13,-17.16,;4.45,-16.39,;4.45,-14.86,;5.79,-14.09,;5.79,-12.55,;7.13,-11.78,;7.13,-10.24,;5.8,-9.48,;8.46,-9.47,;5.79,-17.17,;5.79,-18.7,;7.13,-16.4,;8.45,-17.16,;8.45,-18.71,;9.2,-20.05,;8.41,-21.38,;6.87,-21.35,;9.16,-22.71,;10.75,-20.07,;11.5,-21.42,;11.54,-18.75,;9.79,-16.4,;9.79,-14.86,;11.13,-17.17,;12.45,-16.4,;12.45,-14.87,;13.79,-14.1,;13.79,-12.56,;15.13,-11.79,;15.13,-10.25,;13.79,-17.17,;13.79,-18.71,;15.12,-16.41,;16.45,-17.17,;16.45,-18.72,;17.78,-16.4,;17.78,-14.87,;19.12,-17.18,;20.45,-16.41,;20.45,-14.88,;21.78,-17.18,;21.78,-18.73,;23.11,-16.42,;24.45,-17.19,;24.45,-18.73,;25.78,-19.5,;25.78,-16.42,;25.78,-14.88,;27.11,-17.19,;28.44,-16.42,;28.44,-14.89,;29.78,-14.11,;31.11,-14.89,;29.78,-12.58,;29.78,-17.19,;31.1,-16.42,;29.78,-18.73,)|
CC(C)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(CO)cc1
CC(C)N(CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1)C(C)C
CC(C)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(C)NC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CC(C)NCc1c(F)ccc2nc([nH]c12)-c1ccccc1
CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:15|
CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC(C)[C@H](O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:15|
CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC(C)[C@H]1CC[C@@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:19.19,27.29,15.14,12.11,6.7,30.34,25.26,21.21,3.2,wD:16.16,10.10,21.35,6.6,(7.41,-2.31,;7.89,-.84,;9.39,-.52,;6.86,.3,;5.35,-.02,;4.32,1.12,;4.8,2.59,;5.27,4.05,;3.29,2.27,;2.26,3.41,;.75,3.09,;-.28,4.24,;.28,1.63,;1.18,.38,;.28,-.86,;-1.19,-.39,;-2.52,-1.16,;-2.52,-2.7,;-3.85,-3.47,;-5.19,-2.7,;-6.52,-3.47,;-7.85,-2.7,;-8.62,-4.03,;-7.85,-1.16,;-6.52,-.39,;-5.19,-1.16,;-5.19,.38,;-3.85,-.39,;-3.85,1.15,;-2.52,1.92,;-1.19,1.15,;-1.03,2.68,;-9.39,-2.7,;-10.16,-1.36,;-10.16,-4.03,;-10.93,-2.7,;6.3,2.91,;7.33,1.76,)|
CC(C)[C@H]1CC[C@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:19.19,27.29,15.14,21.21,25.26,12.11,6.7,30.34,wD:16.16,21.35,10.10,6.6,3.2,(9.47,-.28,;7.99,-.68,;7.59,-2.17,;6.9,.41,;7.3,1.9,;6.21,2.99,;4.72,2.59,;4.72,4.13,;3.21,2.27,;2.18,3.41,;.68,3.09,;-.35,4.24,;.2,1.63,;1.11,.38,;.2,-.86,;-1.26,-.39,;-2.6,-1.16,;-2.6,-2.7,;-3.93,-3.47,;-5.27,-2.7,;-6.6,-3.47,;-7.93,-2.7,;-9.02,-3.79,;-7.93,-1.16,;-6.6,-.39,;-5.27,-1.16,;-5.27,.38,;-3.93,-.39,;-3.93,1.15,;-2.6,1.92,;-1.26,1.15,;-1.1,2.68,;-9.47,-2.7,;-10.24,-1.36,;-10.24,-4.03,;-11.01,-2.7,;4.32,1.1,;5.41,.01,)|
CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
CC(C)c1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(Cl)cc2)cc1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CC(C)c1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
CC(F)(F)c1cc(ccc1Cl)-c1cnc2cnn(CC(=O)N3CC(F)C3)c2n1
CC(F)(F)c1cc(ccc1Cl)-c1cnc2cnn(CC(=O)N3CCC3)c2n1
CC(F)(F)c1cc(ccc1Cl)-c1cnc2cnn(CC(=O)N3CCOCC3)c2n1
CC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2N)nn1
CC(F)(F)c1cc(ccc1F)-c1cnc2cnn(CC(=O)N3CCC3)c2n1
CC(F)(F)c1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
CC(F)(F)c1cc(ccc1F)-n1cc(Cn2ccnc2CCO)nn1
CC(F)(F)c1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(N)cc1
CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1
CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)N=C=S
CC(N1C[C@@H]2CC(CCc3ccccc3)C[C@@H]2C1)C(=O)c1ccc(O)cc1 |r,w:1.0,6.6|
CC(N1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)C(=O)c1ccc(O)c(F)c1 |r,w:1.0,6.6|
CC(N1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)C(=O)c1ccc(O)cc1 |r,w:1.0,6.6|
CC(N1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)C(=O)c1ccc(O)cn1 |r,w:1.0,6.6|
CC(N1C[C@@H]2C[C@H](CCc3ccccc3)C[C@@H]2C1)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(F)cc1)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(cc1)C(C)(C)C)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1C)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@](O)(CCc3ccccc3)C[C@H]2C1)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(N1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)C(=O)c1ccc(O)cc1 |r,w:1.0|
CC(NC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1)C(F)(F)F
CC(O)(CN1CC2CC(O)(Cc3ccccc3)CC2C1)c1ccc(O)cc1 |w:1.1|
CC(OC(=O)N1CCC(CNc2ncccn2)CC1)c1ccccc1
CC1(C)CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CC1(CC(F)(F)C1)NC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CC1(CC1)NC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CC1(O)CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12|
CC1CCN(CCn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)C1
CC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CC1CN(C1)C(=O)Cn1nc(F)c2ncc(nc12)-c1ccc(F)c(c1)C(F)F
CC1CN(C1)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(c1)C(C)(F)F
CC1CN(C1)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(OC(F)F)c1
CC1CN(C1)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(c1)C(F)F
CC1CN(CCO1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CC1COCCN1C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CCC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1
CCC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1F
CCC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(F)c1
CCC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(C)c1
CCC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(F)n1
CCC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CCC(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(C)c1
CCC(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(C)c1F
CCC(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(F)c1
CCC(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C(F)(F)F
CCC(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C1CC1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1cc(C)cs1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(Cl)s1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(C)c1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(F)c1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)cc1
CCC(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1)C(F)F
CCC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CCC(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(c1)C(F)F
CCC(O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(CC)CC[C@@H]4[C@H]3CC[C@]12C |r,t:15|
CCC(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(CC)CC[C@@H]4[C@H]3CC[C@]12C |r,t:14|
CCC(O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1
CCC(O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1F
CCC(O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(C)c1
CCC(O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CCC(O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(F)c1
CCC1(C)CCC(O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:19.19,27.29,15.14,21.21,25.26,12.11,30.34,wD:16.16,21.35,10.10,(6.75,-2.17,;7.84,-1.08,;7.44,.41,;8.93,.01,;5.95,.01,;4.86,1.1,;5.26,2.59,;5.26,4.13,;3.76,2.27,;2.73,3.41,;1.22,3.09,;.19,4.24,;.74,1.63,;1.65,.38,;.74,-.86,;-.72,-.39,;-2.05,-1.16,;-2.05,-2.7,;-3.39,-3.47,;-4.72,-2.7,;-6.06,-3.47,;-7.39,-2.7,;-8.48,-3.79,;-7.39,-1.16,;-6.06,-.39,;-4.72,-1.16,;-4.72,.38,;-3.39,-.39,;-3.39,1.15,;-2.05,1.92,;-.72,1.15,;-.56,2.68,;-8.93,-2.7,;-9.7,-1.36,;-9.7,-4.03,;-10.47,-2.7,;6.75,2.99,;7.84,1.9,)|
CCC1CCCCN1Cc1c(F)ccc2nc([nH]c12)-c1ccccc1
CCC1CCCN1C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CCCC(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
CCCCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCCCCNC1=NCCN1OCCc1ccccc1 |t:6|
CCCCCNC1=NCCN1OCc1ccccc1 |t:6|
CCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CCCCn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CCCNC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CCCNCCn1c2cc(cnc2[nH]c1=O)-c1cc(F)cc(F)c1
CCCNCc1c(O)ccc2nc([nH]c12)-c1ccccc1
CCC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:13|
CCC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CCC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CCCc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n[nH]1
CCCc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n[nH]1
CCCc1nc2[nH]c(C)c(NS(=O)(=O)c3ccc(cc3)C3CCCCC3)c(=O)n2n1
CCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
CCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cc(F)cc(F)c1
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(C)s1
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(C)c1
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(C)c1F
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(F)c1
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(F)c1F
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)cc1
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(C)c1F
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(c1F)C(F)(F)F
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccccc1
CCN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccccc1F
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)c(F)c(F)c1
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1F
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
CCN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1F)C(F)(F)F
CCN(CC)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CCN(CCCCc1ccccc1)C1CCc2ccsc2CC1
CCN(CCCc1ccccc1)C1CCc2ccsc2CC1
CCN(CCc1ccccc1)C1CCc2ccsc2CC1
CCN(Cc1ccccc1)C1CCc2ccsc2CC1
CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)cc1C
CCNCc1cncc(n1)-c1ccc(F)cc1OC
CCOC(=O)C(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:6.5,17.21,(36.64,-28.39,;37.97,-29.17,;39.31,-28.4,;40.63,-29.18,;40.62,-30.72,;41.97,-28.42,;43.3,-29.2,;44.64,-28.44,;45.96,-29.21,;47.28,-28.43,;48.62,-29.2,;48.62,-30.75,;47.28,-31.52,;45.95,-30.75,;44.62,-31.51,;43.28,-32.27,;43.27,-33.8,;44.6,-34.58,;45.93,-33.82,;45.95,-32.28,;44.58,-36.12,;43.24,-36.87,;43.22,-38.41,;44.55,-39.19,;45.89,-38.43,;45.91,-36.89,;44.54,-40.73,;43.19,-41.48,;43.17,-43.01,;44.49,-43.81,;45.84,-43.05,;45.86,-41.51,;43.29,-30.74,)|
CCOC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CCOC(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C(F)(F)F
CCOCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC(=O)NCCOC)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3c(C)noc3C)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
CCOc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C(O)=O
CCOc1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
CCOc1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
CCOc1ccccc1-c1cnc2[nH]c(=O)n(CC(=O)NC)c2c1
CCOc1ccccc1-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
CCOc1ccccc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
CCOc1ccccc1-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
CCOc1ccccc1-c1cnc2[nH]c(=O)n(Cc3ccc(F)cc3)c2c1
CCOc1ccccc1-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
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CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC5(O)CCC(C)(C)CC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC5(O)CCC(F)(F)CC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCO)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](O)C(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](O)C(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CCC4[C@@H]3C(=O)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:22|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCC(O)Cc1ccccc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCC(O)c1ccccc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCC(O)c1ccccn1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)Cc1ccccc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1ccc(F)cc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1ccc(cc1)C#N |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1cccc(F)c1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1cccc(c1)C#N |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1ccccc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1ccccc1C#N |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1ccccc1F |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1ccccn1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](O)c1cccnc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)Cc1ccccc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1ccc(F)cc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1ccc(cc1)C#N |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1cccc(F)c1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1cccc(c1)C#N |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1ccccc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1ccccc1C#N |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1ccccc1F |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1ccccn1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)c1cccnc1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CC1CCC(C)(C)CC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CC1CCCC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CCC(C)C |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CCC1CC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@H](O)CC1CCC(C)(C)CC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@H](O)CC1CCCC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@H](O)CCC(C)C |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@H](O)CCC1CC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@H](C)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:22|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@H](O)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:22|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@](C)(O)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:23|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](C)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:22|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:22|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@](C)(O)C=C2C1)[C@H](C)CCC(C)(C)O |r,c:23|
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(OC(F)F)c1
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(c1)C(C)(F)F
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
CCc1c[nH]nc1Cn1cc(cn1)-c1ccc(F)c(OC(F)F)c1
CCc1c[nH]nc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
CCc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n[nH]1
CCc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n[nH]1
CCc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
CCc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
CCc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
CCc1ccc(s1)-c1cnc2c(Cl)cn(CC(=O)N(C)C)c2c1
CCc1ccc(s1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
CCc1ccc(s1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
CCc1ccc(s1)-c1cnc2c(F)cn(CC(=O)N(C)C)c2c1
CCc1ccc(s1)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
CCc1ccc(s1)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
CCc1ccc(s1)-c1cnc2ccn(CC(=O)N(C)C)c2c1
CCc1ccc(s1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
CCc1ccc(s1)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
CCc1ccc(s1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
CCc1ccc(s1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
CCc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N(C)C)c2c1
CCc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)C3)c2c1
CCc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CCC3)c2c1
CCc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N(C)C)c2c1
CCc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
CCc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
CCc1cccc(c1)-c1cnc2c(F)cn(CC(=O)C(C)C)c2c1
CCc1cccc(c1)-c1cnc2c(F)cn(CC(=O)N(C)C)c2c1
CCc1cccc(c1)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
CCc1cccc(c1)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)C(C)(C)C)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)C(C)C)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)N(C)C)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
CCc1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CCc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
CCn1cc(CCn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
CCn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
CCn1ccc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n1
CCn1cncc1Cn1cc(cn1)-c1ccc(Cl)c(c1)C(F)F
CCn1cncc1Cn1cc(cn1)-c1ccc(Cl)cc1
CCn1cncc1Cn1cc(cn1)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cc(C)c(Cl)s1
CN(C)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cc(C)c(Cl)s1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cc(C)cs1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cc(F)c(F)c(c1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cc(F)cc(F)c1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(C)s1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(CO)s1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(Cl)c(OC(F)F)c1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(Cl)s1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(OC(F)F)c1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)s1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(s1)C(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(s1)C1CC1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(C)c1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(C)c1F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(F)c1F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1F)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccnc1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccsc1C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cnc(C)s1
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1csc(c1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1csc(c1)C(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1csc(n1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(CF)c1=O)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1c2cc(cnc2n(CF)c1=O)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cc(F)cc(F)c1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(C)s1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(Cl)s1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)c(F)c1F
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccc(F)cc1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(C)c1F
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1cccc(c1F)C(F)(F)F
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccccc1
CN(C)C(=O)Cn1cc(C)c2ncc(cc12)-c1ccccc1F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(C)c(Cl)s1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(C)sc1C
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(Cl)cs1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(F)cc(F)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(Cl)s1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(F)c1F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(c1)C(F)(F)F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(C)c1F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(Cl)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(Cl)c1F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(F)c1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(c1)C(F)F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(c1F)C(F)(F)F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(n1)C(F)(F)F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccccc1
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccccc1F
CN(C)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccs1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(Cl)cs1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(F)cc(F)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(C)s1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(Cl)s1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(F)c1F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(c1)C(F)(F)F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)cc1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(C)c1F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(Cl)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(Cl)c1F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(F)c1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1)C(F)F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1F)C(F)(F)F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccccc1
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccccc1F
CN(C)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccs1
CN(C)C(=O)Cn1cc(c2ncc(cc12)-c1cc(F)cc(F)c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1c(C)sc(C)c1C
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1c(F)ccc(C)c1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)c(Cl)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)ccc1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)sc1C
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(Cl)cs1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(Cl)sc1Cl
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)c(F)c(F)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)cc(F)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc2ccccc2s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(C)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)c(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(F)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1F)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(n1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccccc1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccccc1F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccs1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccnc(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cncc(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1csc(Cl)c1
CN(C)C(=O)Cn1nc(F)c2ncc(nc12)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1cc(F)c(C)c(F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1cc(F)c(F)c(F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1cc(F)ccc1F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(C)c(F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(C)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(OC(F)F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(c1)C(C)(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(c1)C(F)(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)c(c1)C(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(Cl)cc1F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(C)c1F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(F)c1F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(OC(F)F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(c1)C(C)(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(OC(F)(F)F)c(Cl)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(OC(F)(F)F)cc1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(OC(F)F)c(F)c1
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(cc1)C(C)(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1ncc2ncc(nc12)-c1cccc(C)c1
CN(C)C(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |w:3.3,wU:17.21,wD:14.14,(2.93,-17.32,;1.59,-18.09,;.25,-17.31,;1.59,-19.63,;2.91,-20.4,;4.25,-19.64,;5.57,-20.43,;6.91,-19.67,;6.92,-18.13,;5.6,-17.35,;4.26,-18.1,;.24,-20.39,;.24,-21.94,;-1.09,-19.62,;-2.43,-20.39,;-3.77,-19.6,;-5.09,-20.39,;-5.09,-21.93,;-3.77,-22.7,;-2.43,-21.93,;-6.43,-22.7,;-7.77,-21.93,;-9.09,-22.7,;-9.09,-24.25,;-10.42,-25.01,;-7.74,-25.02,;-6.42,-24.24,)|
CN(C)CCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN(C)CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN(C)Cc1c(O)ccc2nc([nH]c12)-c1ccccc1
CN(C)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
CN(C)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
CN(C1CC1)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)cc1C
CN(C1CC1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CN(C1CCN(CC(F)(F)c2ccc(C)cn2)CC1)c1ncnc2[nH]ccc12
CN(C1CCN(CCc2ccc(cc2)C(F)(F)F)CC1(F)F)c1ncnc2[nH]ncc12
CN(CC(F)(F)F)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CN(CC(F)(F)F)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
CN(CC1CCN(CC1)C(=O)OCc1ccc(C)cc1)c1ncccn1
CN(CCCCc1ccccc1)C1CCc2ccsc2CC1
CN(CCCc1ccccc1)C1CCc2cc(CO)sc2CC1
CN(CCCc1ccccc1)C1CCc2ccsc2CC1
CN(CCF)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(s1)C(F)(F)F
CN(CCc1ccccc1)C1CCc2cc(CO)sc2CC1
CN(CCc1ccccc1)C1CCc2ccsc2CC1
CN(Cc1ccccc1)C1CCc2ccsc2CC1
CN1CCC(CC1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN1CCN(CC1)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CN1CCN(Cc2c(O)ccc3nc([nH]c23)-c2ccccc2)CC1
CNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cc(C)cc(C)c1
CNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(Cl)cc1
CNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)cc1C
CNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)cc1OC
CNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(OC)c(C)c1
CNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(C)cccc3F)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(F)cccc3F)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3C)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3F)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3C)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)nc2)CCO1 |r|
CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)nc2)CCO1 |r|
COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)cc1 |r|
COC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccc(cc2)C(C)(C)C)cc1 |r|
COC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2cccc(OC)c2)cc1 |r|
COC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2)cc1 |r|
COC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2C)cc1 |r|
COC1CCN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
COC1CCN(CC1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
COC1CCN(CCn2c3cc(cnc3[nH]c2=O)-c2cc(F)cc(F)c2)C1
COC1CN(C1)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
COC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
COC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
COC1CN(CCn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)C1
COCCC(O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(F)c(C)c1
COCCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cc(F)cc(F)c1
COCCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(Cl)c1
COCCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)cc1OC
COCCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(OC)cc1
COCCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
COCCNC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccnc1
COCCNC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
COCCNCc1cncc(n1)-c1ccc(F)cc1OC
COCCn1c2cc(cnc2[nH]c1=O)-c1ccc(F)cc1C
COCCn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
COC[C@H]1CC[C@@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:19.19,27.29,15.14,21.21,25.26,12.11,6.7,3.2,30.34,wD:16.16,21.35,10.10,6.6,(10.02,-1.37,;8.93,-.28,;7.44,-.68,;6.35,.41,;4.86,.01,;3.78,1.1,;4.17,2.59,;4.17,4.13,;2.67,2.27,;1.64,3.41,;.13,3.09,;-.9,4.24,;-.34,1.63,;.56,.38,;-.34,-.86,;-1.81,-.39,;-3.14,-1.16,;-3.14,-2.7,;-4.48,-3.47,;-5.81,-2.7,;-7.14,-3.47,;-8.48,-2.7,;-9.57,-3.79,;-8.48,-1.16,;-7.14,-.39,;-5.81,-1.16,;-5.81,.38,;-4.48,-.39,;-4.48,1.15,;-3.14,1.92,;-1.81,1.15,;-1.65,2.68,;-10.02,-2.7,;-10.79,-1.36,;-10.79,-4.03,;-11.56,-2.7,;5.66,2.99,;6.75,1.9,)|
COC[C@H]1CC[C@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:19.19,27.29,15.14,21.21,25.26,12.11,6.7,30.34,wD:16.16,21.35,10.10,6.6,3.2,(10.02,-1.37,;8.93,-.28,;7.44,-.68,;6.35,.41,;6.75,1.9,;5.66,2.99,;4.17,2.59,;4.17,4.13,;2.67,2.27,;1.64,3.41,;.13,3.09,;-.9,4.24,;-.34,1.63,;.56,.38,;-.34,-.86,;-1.81,-.39,;-3.14,-1.16,;-3.14,-2.7,;-4.48,-3.47,;-5.81,-2.7,;-7.14,-3.47,;-8.48,-2.7,;-9.57,-3.79,;-8.48,-1.16,;-7.14,-.39,;-5.81,-1.16,;-5.81,.38,;-4.48,-.39,;-4.48,1.15,;-3.14,1.92,;-1.81,1.15,;-1.65,2.68,;-10.02,-2.7,;-10.79,-1.36,;-10.79,-4.03,;-11.56,-2.7,;3.78,1.1,;4.86,.01,)|
COCc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N(C)C)c2c1
COCc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)C3)c2c1
COCc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CCC3)c2c1
COCc1noc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(F)c2)n1
CO[C@H]1CC[C@@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:18.18,26.28,14.13,20.20,24.25,11.10,5.6,2.1,29.33,wD:15.15,20.34,9.9,5.5,(9.47,-.28,;7.99,-.68,;6.9,.41,;5.41,.01,;4.32,1.1,;4.72,2.59,;4.72,4.13,;3.21,2.27,;2.18,3.41,;.68,3.09,;-.35,4.24,;.2,1.63,;1.11,.38,;.2,-.86,;-1.26,-.39,;-2.6,-1.16,;-2.6,-2.7,;-3.93,-3.47,;-5.27,-2.7,;-6.6,-3.47,;-7.93,-2.7,;-9.02,-3.79,;-7.93,-1.16,;-6.6,-.39,;-5.27,-1.16,;-5.27,.38,;-3.93,-.39,;-3.93,1.15,;-2.6,1.92,;-1.26,1.15,;-1.1,2.68,;-9.47,-2.7,;-10.24,-1.36,;-10.24,-4.03,;-11.01,-2.7,;6.21,2.99,;7.3,1.9,)|
CO[C@H]1CC[C@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:18.18,26.28,14.13,20.20,24.25,11.10,5.6,29.33,wD:15.15,20.34,9.9,5.5,2.1,(9.47,-.28,;7.99,-.68,;6.9,.41,;7.3,1.9,;6.21,2.99,;4.72,2.59,;4.72,4.13,;3.21,2.27,;2.18,3.41,;.68,3.09,;-.35,4.24,;.2,1.63,;1.11,.38,;.2,-.86,;-1.26,-.39,;-2.6,-1.16,;-2.6,-2.7,;-3.93,-3.47,;-5.27,-2.7,;-6.6,-3.47,;-7.93,-2.7,;-9.02,-3.79,;-7.93,-1.16,;-6.6,-.39,;-5.27,-1.16,;-5.27,.38,;-3.93,-.39,;-3.93,1.15,;-2.6,1.92,;-1.26,1.15,;-1.1,2.68,;-9.47,-2.7,;-10.24,-1.36,;-10.24,-4.03,;-11.01,-2.7,;4.32,1.1,;5.41,.01,)|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(O)c(F)c3)C[C@@H]2C1 |r|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(O)c(F)n3)C[C@@H]2C1 |r|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(O)cc3)C[C@@H]2C1 |r|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(O)c3ccc(O)c(F)c3)C[C@@H]2C1 |r,w:15.16|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(O)c3ccc(O)c(F)n3)C[C@@H]2C1 |r,w:15.16|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(O)c3ccc(O)cc3)C[C@@H]2C1 |r,w:15.16|
CO[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(O)c3ccc(O)cn3)C[C@@H]2C1 |r,w:15.16|
CO\N=C(\Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1)C1CC1
COc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1 |w:6.5|
COc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC |w:6.5|
COc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2c(F)cccc2OC)cc(OC)c1
COc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cc(OC)c1
COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1
COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(N)=O)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3ccc(F)cc3)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3cccc(c3)C#N)c2c1
COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)N(C)C)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
COc1cc(F)ccc1-c1cncc(CNC(C)C)c1
COc1cc(F)ccc1-c1cncc(CNC2CC2)n1
COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
COc1cc(F)ccc1-c1cncc(CNCC(C)C)n1
COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
COc1cc(F)ccc1-c1cncc(CNC[C@@H]2CCCO2)n1 |r|
COc1cc(F)ccc1-c1cncc(CNCc2ccccn2)n1
COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1
COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
COc1cc(F)ccc1-c1cncc(c1)C1CCCN1
COc1cc(F)ccc1-n1cc(Cn2ccnc2C)nn1
COc1cc(F)ccc1-n1cc(Cn2ccnc2C2CC2)nn1
COc1ccc(C)cc1NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r|
COc1ccc(C)cc1NC(=O)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(F)cc1 |r|
COc1ccc(C)cc1NC(=O)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r|
COc1ccc(C)cc1NC(=O)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1C |r|
COc1ccc(C)cc1NC(=O)N1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1ccc(CC2CCCCN2C(=O)c2cc3ccc(O)cc3[nH]2)cc1
COc1ccc(CC2CCCN(C2)C(=O)c2cc3ccc(O)cc3[nH]2)cc1
COc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
COc1ccc(CC2CCN(CC2)C(=O)c2cc3ccc(O)cc3[nH]2)cc1
COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c(OC)c1 |w:7.6|
COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc1 |w:7.6|
COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
COc1ccc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)cc1 |r|
COc1ccc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)cc1 |r|
COc1ccc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1 |r,w:14.14|
COc1ccc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)cc1 |r,w:14.14|
COc1ccc(C[C@H]2CC[C@](O)(CC(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1 |r,wD:10.10,7.6,(25.46,-11.71,;24.13,-10.94,;22.79,-11.71,;22.79,-13.25,;21.46,-14.02,;20.13,-13.24,;18.79,-14.01,;17.46,-13.24,;17.46,-11.7,;16.13,-10.92,;14.8,-11.7,;14.03,-10.36,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;14.8,-13.24,;16.13,-14,;20.12,-11.71,;21.45,-10.94,)|
COc1ccc(C[C@H]2CC[C@](O)(Cc3cc(on3)-c3cn[nH]c3)CC2)cc1 |r,wD:10.10,7.6,(26.62,-8.7,;25.29,-7.93,;23.95,-8.7,;23.95,-10.25,;22.62,-11.01,;21.29,-10.24,;19.95,-11.01,;18.62,-10.24,;18.62,-8.7,;17.29,-7.92,;15.96,-8.7,;15.19,-7.36,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;15.96,-10.24,;17.29,-11,;21.28,-8.7,;22.61,-7.93,)|
COc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cc(F)cc(F)c2)cc1
COc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cc1F
COc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cn1
COc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)nn1
COc1ccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)cc1 |r|
COc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccc(cc2)C#N)cc1 |r|
COc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2cccc(OC)c2)cc1 |r|
COc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2)cc1 |r|
COc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2C)cc1 |r|
COc1ccc(NC(=O)N2C[C@H]3C[C@](O)(Cc4ccccc4)C[C@H]3C2)cc1 |r|
COc1ccc(OC)c(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:10.9|
COc1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)c2cccc(Cl)c2)cc1
COc1ccc(c(Cl)c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1ccc(c(OC)c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1ccc(c(OC)c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
COc1ccc(c(OC)c1)-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
COc1ccc(c(OC)c1)-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
COc1ccc(c(OC)c1)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
COc1ccc(c(OC)c1)-c1cncc(CNC2CCCC2)n1
COc1ccc(cc1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
COc1ccc(cc1)-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1ccc(cc1)-c1cccc(c1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)N(C)C3CC3)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCCC3)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCOCC3)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3ccc(cc3)C#N)c2c1
COc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3cccc(c3)C#N)c2c1
COc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C(O)=O
COc1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
COc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1ccc(cc1)C(O)CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r,w:8.9|
COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
COc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
COc1ccc(cc1C)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1ccc(cc1C)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
COc1ccc(cc1C)-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
COc1ccc(cc1C)-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
COc1ccc(cc1Cl)-c1cnc2cnn(CC(=O)N(C)C)c2n1
COc1ccc(cc1F)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
COc1ccc(cc1F)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
COc1ccc(cc1F)-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
COc1ccc(cc1F)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
COc1ccc(cc1F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
COc1ccc(cn1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
COc1ccc2C(O)CN(CCCC#Cc3ccccc3)CCc2c1
COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
COc1ccc2CCC(CCc2c1)NCCCc1ccccc1
COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
COc1ccc2CN(CCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,13:14:23:20.18.17,13:14:23.21.20:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,20:21:15:25.18.17,20:18:15:23.24.21,24:14:23.21.20:17,24:21:15.14.25:17,22:21:15:25.18.17,25:18:23:15.14.24|
COc1ccc2CN(CCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:26:15:24:21.19.18,20:19:16:24.25.22,23:22:16.15.26:18,THB:25:15:24.22.21:18,25:22:16.15.26:18,26:19:24:16.15.25,21:22:16:26.19.18,21:19:16:24.25.22,20:19:24:16.15.25,23:22:16:26.19.18|
COc1ccc2CN(CCCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:19.20.22:25,24:23:17:19.27.20,21:20:17.16.26:25,THB:27:20:17.16.26:25,24:23:19:17.16.27,26:16:19:22.23.25,26:23:19:17.16.27,22:20:17:26.23.25,22:23:17:19.27.20,15:16:19:22.23.25,15:16:19.20.22:25,21:20:17:26.23.25|
COc1ccc2CN(CCCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:27:25:29:20.19.21,27:20:29:25.28.24,17:18:24:20.27.21,THB:19:18:24:20.27.21,19:20:18.28.29:24,26:25:29:20.19.21|
COc1ccc2CN(CCCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:29:18:21.22.24:27,23:22:19.18.28:27,26:25:19:21.29.22,THB:29:22:19.18.28:27,28:18:21:24.25.27,28:25:21:19.18.29,24:22:19:28.25.27,24:25:19:21.29.22,16:18:21:24.25.27,16:18:21.22.24:27|
COc1ccc2CN(CCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:26:24:28:19.18.20,26:19:28:24.27.23,THB:16:17:23:19.26.20,18:17:23:19.26.20,18:19:17.27.28:23,25:24:28:19.18.20|
COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26|
COc1ccc2CN(CCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:15:16:22:18.25.19,25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22|
COc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19|
COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21|
COc1ccc2CN(CCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:13:14:20:16.23.17,23:21:25:16.15.17,23:16:25:21.24.20,THB:15:14:20:16.23.17,15:16:14.24.25:20,22:21:25:16.15.17|
COc1ccc2CN(CCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31,TLB:22:20:24:15.14.16,22:15:24:20.23.19,THB:21:20:24:15.14.16,14:13:19:15.22.16,14:15:13.23.24:19,12:13:19:15.22.16|
COc1ccc2CN(CCCNCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:25:22.20.19,21:20:17:25.26.23,24:23:17.16.27:19,THB:26:16:25.23.22:19,26:23:17.16.27:19,27:20:25:17.16.26,22:23:17:27.20.19,22:20:17:25.26.23,21:20:25:17.16.26,24:23:17:27.20.19|
COc1ccc2CN(CCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24|
COc1ccc2CN(CCOCCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:28:17:26:23.21.20,25:24:18.17.28:20,22:21:18:26.27.24,THB:23:24:18:28.21.20,23:21:18:26.27.24,28:21:26:18.17.27,25:24:18:28.21.20,22:21:26:18.17.27,27:17:26.24.23:20,27:24:18.17.28:20|
COc1ccc2CN(CCSCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24|
COc1ccc2[C@@H](O)C[C@H](CCc2c1)NCCCc1ccccc1 |r|
COc1ccc2[C@H](O)C[C@@H](CCc2c1)NCCCc1ccccc1 |r|
COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1
COc1cccc(-c2cnc3[nH]c(=O)n(Cc4ccc(F)cc4)c3c2)c1OC
COc1cccc(CC2CCN(CC2)C(=O)c2nc3cc(O)c(O)cc3[nH]2)c1
COc1cccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)c1
COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7|
COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1OC |w:8.7|
COc1cccc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)c(F)n4)C[C@@H]3C2)c1 |r|
COc1cccc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)c1 |r|
COc1cccc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)cn4)C[C@@H]3C2)c1 |r|
COc1cccc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)c(F)n4)C[C@@H]3C2)c1 |r,w:15.15|
COc1cccc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)c1 |r,w:15.15|
COc1cccc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1 |r,w:15.15|
COc1cccc(Cn2c3cc(cnc3[nH]c2=O)-c2cc(C)cs2)c1
COc1cccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2OC)c1
COc1cccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccnc2)c1
COc1cccc(F)c1-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1cccc(F)c1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
COc1cccc(NC(=O)N2C[C@@H]3CC(Cc4ccccc4)C[C@@H]3C2)c1 |r,w:14.14|
COc1cccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)c1 |r|
COc1cccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccc(F)cc2)c1 |r|
COc1cccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccc(cc2)C(C)(C)C)c1 |r|
COc1cccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2cccc(OC)c2)c1 |r|
COc1cccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2)c1 |r|
COc1cccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2C)c1 |r|
COc1cccc(NC(=O)N2C[C@H]3C[C@](O)(Cc4ccccc4)C[C@H]3C2)c1 |r|
COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
COc1cccc(c1)-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1cccc(c1)-c1cccc(c1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
COc1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
COc1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CCCO3)c2c1
COc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
COc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
COc1cccc(c1)C(O)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r,w:8.9|
COc1cccc(c1)C(O)CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1cccc(OC)c1 |r,w:8.9|
COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1 |w:17.19,15.17|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(CC(=O)c3cccc(F)c3)C[C@@H]2C1 |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(CC(=O)c3ccccc3)C[C@@H]2C1 |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(CC(O)c3ccc(Cl)cc3Cl)C[C@@H]2C1 |r,w:15.16|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(CC(O)c3cccc(F)c3)C[C@@H]2C1 |r,w:15.16|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(CC(O)c3cccc(c3)C(F)(F)F)C[C@@H]2C1 |r,w:15.16|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(CC(O)c3ccccc3)C[C@@H]2C1 |r,w:15.16|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cc(C)ccc1OC |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(C)cc1 |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(C)cc1C |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(Cl)c1 |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccccc1 |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccnc1 |r|
COc1cccc(c1)[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(C)C(O)c1ccc(O)cc1 |r,w:19.22,17.20|
COc1cccc(c1F)-c1cncc(CNC2CC2)n1
COc1cccc(c1F)-c1cncc(CNCC2CC2)n1
COc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12
COc1cccc2c(c[nH]c12)C(=O)CN1CCC(Cc2ccccc2)CC1
COc1ccccc1C1CNC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1 |c:12|
COc1ccccc1CC1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1
COc1ccccc1CN1Cc2cc(OC(F)(F)F)ccc2C1=N
COc1ccccc1CN=C(N)C=Cc1ccccc1 |w:9.9,13.14|
COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9|
COc1ccccc1CNC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r|
COc1ccccc1CNC(=O)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r|
COc1ccccc1NC(=O)N1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
COc1ccnc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(cc2)C(C)(C)C)c1OC
COc1cncc(Cn2ncc3ncc(nc23)-c2ccc(F)c(OC(F)F)c2)c1
COc1cncc(Cn2ncc3ncc(nc23)-c2ccc(F)c(c2)C(F)F)c1
COc1ncc(cn1)-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
COc1ncccc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
CS(=O)(=O)Nc1cc2nc([nH]c2cc1NS(C)(=O)=O)C(=O)N1CCC(Cc2ccccc2)CC1
CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
CS(=O)(=O)Nc1ccc(OCCN2CCN(C2=O)c2ccc(Cl)c(Cl)c2)cc1
CS(=O)(=O)Nc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CS(=O)(=O)Nc1ccc(cc1)C(O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r,w:11.12|
CS(=O)(=O)Nc1ccc(cn1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:11.12,15.19,(-9.1,-.63,;-8.01,-1.73,;-9.07,-2.85,;-6.94,-.62,;-6.86,-2.76,;-5.39,-2.29,;-5.39,-.74,;-4.06,.03,;-2.72,-.74,;-2.71,-2.27,;-4.03,-3.05,;-1.38,.04,;-1.39,-1.5,;-1.38,1.58,;-.06,2.37,;1.28,1.58,;1.28,.04,;-.06,-.73,;2.61,2.34,;3.95,1.57,;3.95,.03,;5.29,2.33,;6.61,1.55,;7.95,2.31,;9.27,1.53,;10.61,2.29,;10.62,3.83,;9.31,4.6,;7.97,3.85,)|
CS(=O)(=O)Nc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
CS(=O)(=O)Nc1ccc(nc1)C(O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r,w:11.12|
CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
CS(=O)(=O)Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
CS(=O)(=O)Nc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1
CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
CS(=O)(=O)Nc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
CS(=O)(=O)Nc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
CS(=O)(=O)c1ccc(cc1)C(N)=NCc1ccccc1 |w:12.13|
CS(=O)(=O)c1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
CS(=O)(=O)c1cccc(c1)-n1cc(Cn2ccnc2CCF)nn1
CS(=O)(=O)c1cccc(c1)-n1cc(Cn2ccnc2CCO)nn1
CSC1=NCCN1C(=O)c1ccc(C)cc1 |t:2|
CSC1=NCCN1C(=O)c1ccc(cc1)C(C)(C)C |t:2|
CSCn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r|
C[C@@H](NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@@H](NC(=O)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@@H](O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
C[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:13|
C[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Cl)c(F)c1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Cl)cc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)c(F)c1 |r|
C[C@@H]1CN(CCN1c1ccc(Cl)c(F)c1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r|
C[C@@H]1CN(CCN1c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r|
C[C@@H]1CN(CCN1c1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r|
C[C@H](CC1(O)CCC(C)(C)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:20|
C[C@H](CC1(O)CCC(C)(C)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](C)C=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:20|
C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:14|
C[C@H](CCC(C)(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:18|
C[C@H](CCC(C)(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3[C@H](C)C=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:18|
C[C@H](CCC(C)(O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:20|
C[C@H](CCC(O)(c1ccccc1)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:23|
C[C@H](CCC(O)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:16|
C[C@H](CCC(O)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
C[C@H](CCC(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
C[C@H](CCC(O)C1CCC1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
C[C@H](CCC(O)C1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
C[C@H](CCC(O)Cc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:20|
C[C@H](CCC(O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:19|
C[C@H](CCC(O)c1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:19|
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Cc1c(F)ccc(-c2cnc3n(CF)c(=O)n(CC(=O)N4CC(F)C4)c3c2)c1F
Cc1c(F)ccc(-c2cnc3n(CF)c(=O)n(CC(=O)N4CCC4)c3c2)c1F
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Cc1c(F)ccc(c1C)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1c(F)ccc(c1C)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2[nH]c(=O)n(Cc3cncc(F)c3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2c(F)cn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3ccccn3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cccnc3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cccnn3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3ccncc3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3ccncn3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cncc(Cl)c3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cncc(F)c3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cnccn3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cncnc3)c2c1
Cc1c(F)ccc(c1F)-c1cnc2n(C)c(=O)n(Cc3ncccn3)c2c1
Cc1c(F)cccc1COC(=O)N1CCOC(C1)c1nc2cncnc2[nH]1
Cc1c(cccc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
Cc1c(cccc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CCN3CC(F)C3)c2c1
Cc1c(cccc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1c(cccc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1c(cccc1C(F)(F)F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1c(cccc1C(F)(F)F)-c1cnc2n(C)c(=O)n(CC(O)CCO)c2c1
Cc1c(cccc1C(F)(F)F)-c1cnc2n(C)c(=O)n(CC3CCO3)c2c1
Cc1cc(C)cc(CN2Cc3cc(OC(F)(F)F)ccc3C2=N)c1
Cc1cc(C)cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7|
Cc1cc(C)cc(CN=C(N)c2ccc(cc2)C(F)(F)F)c1 |w:8.7|
Cc1cc(C)cc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)c1 |r|
Cc1cc(C)cc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)c1 |r,w:15.15|
Cc1cc(C)cc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cn4)C[C@@H]3C2)c1 |r,w:15.15|
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(CCN3CC(F)C3)c2c1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(Cc3cccc(F)c3)c2c1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
Cc1cc(C)cc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1cc(C[N]2=CC(C=N2)c2ccc(cc2)C(F)(F)F)n(C)n1 |c:8,t:5|
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2cc(C)cc(C)c2)no1
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2cc(F)cc(F)c2)no1
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)nn1C
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)no1
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2C)no1
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)ccc1F
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)no1
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccccc2)no1
Cc1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccccc2C)no1
Cc1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(C)s2)no1
Cc1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(C)c2F)no1
Cc1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(F)c2)no1
Cc1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)(F)F)no1
Cc1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)F)no1
Cc1cc(Cn2c3cc(cnc3n(C)c2=O)-c2cccc(c2)C(F)(F)F)no1
Cc1cc(Cn2cc(cn2)-c2cc(F)cc(F)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Br)cc2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(C)c(F)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(C)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(Cl)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(F)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)[nH]n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)F)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)cc2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)cc2Cl)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(Cl)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)[nH]n1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n(C)n1
Cc1cc(Cn2cc(cn2)-c2cccc(Br)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2cccc(OC(F)(F)F)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2cccc(c2)C(F)(F)F)n(C)n1
Cc1cc(Cn2ccc3ncc(cc23)-c2cc(F)cc(F)c2)no1
Cc1cc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)no1
Cc1cc(Cn2ccc3ncc(cc23)-c2ccc(F)cc2)no1
Cc1cc(Cn2ccc3ncc(cc23)-c2ccc(F)cc2C)no1
Cc1cc(Cn2ccc3ncc(cc23)-c2cccc(C)c2)no1
Cc1cc(Cn2ccc3ncc(cc23)-c2cccc(c2)C(F)(F)F)no1
Cc1cc(Cn2ccc3ncc(cc23)-c2ccccc2C)no1
Cc1cc(Cn2ncc3ncc(nc23)-c2ccc(F)c(c2)C(F)F)on1
Cc1cc(F)cc(c1)-c1cnc2n(C)c(=O)n(Cc3cccnn3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CCN3CC(F)C3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CCN3CCCC3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3ccc(F)cc3)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3cccc(c3)C#N)c2c1
Cc1cc(F)ccc1-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
Cc1cc(F)ccc1-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cc(F)ccc1-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1cc(F)ccc1-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1cc(F)ccc1-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1cc(F)ccc1-c1cnc2n(C)c(=O)n(CC(=O)NC3CC3)c2c1
Cc1cc(F)ccc1-c1cnc2n(C)c(=O)n(CC3CCO3)c2c1
Cc1cc(F)ccc1COC(=O)N1CCOC(C1)c1nc2cncnc2[nH]1
Cc1cc(F)ccc1C[C@@]1(O)C[C@@H]2CN(CC(=O)c3ccc(O)cc3)C[C@@H]2C1 |r|
Cc1cc(F)ccc1C[C@@]1(O)C[C@@H]2CN(CC(=O)c3ccc(O)cn3)C[C@@H]2C1 |r|
Cc1cc(F)ccc1C[C@@]1(O)C[C@@H]2CN(CC(O)c3ccc(O)cc3)C[C@@H]2C1 |r,w:16.17|
Cc1cc(F)ccc1C[C@@]1(O)C[C@@H]2CN(CC(O)c3ccc(O)cn3)C[C@@H]2C1 |r,w:16.17|
Cc1cc(O)ccc1C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
Cc1cc(O)ccc1[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(34.08,-28.89,;34.09,-30.43,;32.77,-31.2,;32.76,-32.76,;31.44,-33.52,;34.11,-33.52,;35.44,-32.74,;35.42,-31.2,;36.76,-30.43,;36.75,-31.96,;36.76,-28.89,;38.08,-28.1,;39.43,-28.89,;39.43,-30.43,;38.08,-31.2,;40.76,-28.12,;42.1,-28.89,;42.1,-30.44,;43.44,-28.13,;44.76,-28.91,;46.1,-28.15,;47.42,-28.93,;48.77,-28.18,;48.77,-26.63,;47.45,-25.85,;46.12,-26.61,)|
Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(-7.33,-40.77,;-7.32,-42.31,;-8.64,-43.08,;-8.65,-44.63,;-9.97,-45.4,;-7.3,-45.4,;-5.97,-44.62,;-5.99,-43.08,;-4.65,-42.31,;-4.65,-40.77,;-3.32,-39.98,;-1.98,-40.77,;-1.98,-42.31,;-3.32,-43.08,;-.65,-40,;.69,-40.77,;.69,-42.32,;2.03,-40.01,;3.35,-40.79,;4.69,-40.03,;6.01,-40.81,;7.36,-40.05,;7.36,-38.51,;6.04,-37.73,;4.71,-38.49,)|
Cc1cc(ccc1CO)-c1cnc2[nH]c(=O)n(CC(=O)C(C)(C)C)c2c1
Cc1cc(ccc1CO)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
Cc1cc(ccc1Cl)-c1cnc2[nH]c(=O)n(Cc3cncc(F)c3)c2c1
Cc1cc(ccc1Cl)-c1cnn(Cc2ccn(C)n2)c1
Cc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Cc1cc(ccc1Cl)-n1cc(Cn2ccnc2CCF)nn1
Cc1cc(ccc1Cl)-n1cc(Cn2ccnc2CCO)nn1
Cc1cc(ccc1F)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Cc1cc(ccc1F)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Cc1cc(ccc1F)-c1cnc2[nH]c(=O)n(Cc3ccn(C)n3)c2c1
Cc1cc(ccc1F)-c1cnc2[nH]c(=O)n(Cc3cncc(F)c3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Br)cn(CC(=O)N3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(CC(=O)C3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(CC(=O)NC3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(Cc3cccnn3)c2c1
Cc1cc(ccc1F)-c1cnc2c(Cl)cn(Cc3cnn(C)c3)c2c1
Cc1cc(ccc1F)-c1cnc2c(F)cn(CC(=O)C3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(F)cn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(F)cn(CC(=O)N3CCCC3)c2c1
Cc1cc(ccc1F)-c1cnc2c(F)cn(CC(=O)N3CCOCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)C(C)(C)C)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)C3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)C3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC(O)C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC4(CC4)C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC4CC4C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC(C)(O)CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC(CF)CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC(F)CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC(O)CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCC(C3)C(F)(F)F)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCC(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCC3(C)C)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCOC(C)(C)C3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC[C@@H](F)C3)c2c1 |r|
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)NC3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(C)(O)C3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(F)C3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(O)=O)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(O)C3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CCO3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CCOC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CO3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CCn3cccn3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CS(C)(=O)=O)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CS(C)=O)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(C\C(=N\O)C3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3ccccn3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3cccnc3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3ccncc3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3cn(C)nn3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3cnn(C)c3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3ncccn3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3ncco3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)C3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(CC3CCO3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3ccccn3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3cccnc3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3cccnn3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3ccncc3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3ccncn3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3cncc(Cl)c3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3cncc(F)c3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3cnccn3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3cncnc3)c2c1
Cc1cc(ccc1F)-c1cnc2n(C)c(=O)n(Cc3ncccn3)c2c1
Cc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Cc1cc(ccc1F)-c1cnn(Cc2ccn(C)n2)c1
Cc1cc(ccc1F)-n1cc(Cn2ccnc2C2CC2)nn1
Cc1cc(ccc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(-9.08,-31.78,;-7.75,-32.55,;-6.43,-31.78,;-5.09,-32.56,;-5.08,-34.09,;-6.4,-34.87,;-7.75,-34.11,;-9.08,-34.87,;-3.75,-31.78,;-3.76,-33.31,;-3.75,-30.24,;-2.43,-29.45,;-1.08,-30.24,;-1.08,-31.78,;-2.43,-32.55,;.25,-29.47,;1.58,-30.24,;1.59,-31.79,;2.93,-29.48,;4.25,-30.27,;5.59,-29.5,;6.91,-30.28,;8.26,-29.53,;8.26,-27.98,;6.94,-27.21,;5.61,-27.97,)|
Cc1cc(ccc1O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(10.84,-32.43,;12.18,-33.2,;13.5,-32.43,;14.84,-33.21,;14.85,-34.74,;13.53,-35.52,;12.18,-34.76,;10.85,-35.52,;16.18,-32.43,;16.18,-30.89,;17.5,-30.1,;18.84,-30.89,;18.84,-32.43,;17.5,-33.2,;20.18,-30.12,;21.51,-30.89,;21.51,-32.44,;22.86,-30.13,;24.18,-30.91,;25.52,-30.15,;26.84,-30.93,;28.18,-30.18,;28.19,-28.63,;26.87,-27.86,;25.53,-28.62,)|
Cc1cc(ncc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(30.85,-52.95,;32.18,-53.72,;33.5,-52.95,;34.84,-53.72,;34.85,-55.26,;33.53,-56.04,;32.18,-55.27,;30.85,-56.04,;36.18,-52.95,;36.17,-54.48,;36.18,-51.41,;37.5,-50.62,;38.85,-51.41,;38.85,-52.95,;37.5,-53.72,;40.18,-50.64,;41.51,-51.41,;41.52,-52.95,;42.86,-50.65,;44.18,-51.43,;45.52,-50.67,;46.84,-51.45,;48.19,-50.69,;48.19,-49.15,;46.87,-48.37,;45.54,-49.13,)|
Cc1cc(sc1Cl)-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
Cc1cc(sc1Cl)-c1cnc2n(C)c(=O)n(Cc3cccnc3)c2c1
Cc1cc(sc1Cl)-c1cnc2n(C)c(=O)n(Cc3cncc(Cl)c3)c2c1
Cc1cc2ncc(cc2n1CC(=O)N1CCC1)-c1ccc(F)cc1
Cc1cc2ncc(cc2n1CC(=O)N1CCC1)-c1cccc(C)c1
Cc1cc2ncc(cc2n1CC(=O)N1CCC1)-c1ccccc1
Cc1cc2ncc(cc2n1CC(=O)N1CCCC1)-c1ccc(F)cc1
Cc1cc2ncc(cc2n1CC(=O)N1CCCC1)-c1cccc(C)c1
Cc1cc2ncc(cc2n1CC(=O)N1CCCC1)-c1ccccc1
Cc1cc2ncc(cc2n1CC(=O)N1CCOCC1)-c1ccc(F)cc1
Cc1cc2ncc(cc2n1CC(=O)N1CCOCC1)-c1cccc(C)c1
Cc1cc2ncc(cc2n1CC(=O)N1CCOCC1)-c1ccccc1
Cc1cc2ncc(cc2n1CC(=O)NC1CC1)-c1ccc(F)cc1
Cc1cc2ncc(cc2n1CC(=O)NC1CC1)-c1cccc(C)c1
Cc1ccc(CC(=O)N2CCC(CCNc3ncccn3)CC2)cc1
Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
Cc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
Cc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1C
Cc1ccc(CC2CCN(CC2)C(=O)c2cc3ccc(O)cc3[nH]2)cc1
Cc1ccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)cc1
Cc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Cc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cn1
Cc1ccc(CN2CCC(N3CC(C3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2CCC(N3CC(C3)c3ccc(O)cc3)C2=O)cc1F
Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1C
Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1F
Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1
Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Cc1ccc(CN2CCC(N3CCCC(C3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2CCC(N3CCCC(CC3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2CCC(N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CCCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2CCCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1F
Cc1ccc(CN2CCCN(CC2)C(=O)c2cc3ccccc3o2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cccc3ccccc23)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1
Cc1ccc(CN2CC[C@@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Cc1ccc(CN2CC[C@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
Cc1ccc(CN2OCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2OCC(N3CCC(CC3)c3ccc(O)cn3)C2=O)cc1
Cc1ccc(CN2OCC(N3CCN(CC3)c3ccc(O)cn3)C2=O)cc1
Cc1ccc(CN2OCCC(N3CCC(C(F)C3)c3ccc(O)c(F)c3)C2=O)cc1
Cc1ccc(CN2OCCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Cc1ccc(CN2OCCC(N3CCC(CC3)c3ccc(O)cn3)C2=O)cc1
Cc1ccc(CN2OCCC(N3CCN(CC3)c3ccc(O)cn3)C2=O)cc1
Cc1ccc(CN2OCCC(N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2OCCC(N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(COC(=O)C2CC[C@H](CNc3cccc4nncn34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CCC(CC2)Nc2ncccn2)cc1
Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Cc1ccc(COC(=O)N2CCC(COc3ncccn3)CC2)cc1
Cc1ccc(COC(=O)N2CCOC(C2)c2nc3c(C)ncnc3[nH]2)cc1
Cc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c(F)c1
Cc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)cc1
Cc1ccc(COC(=O)N2CCO[C@@H](C2)c2nc3cncnc3[nH]2)cc1F |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3nc4ccccn4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccc(C)cn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cccc(C)n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3F)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cnc(C)cn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cnc(cn3)C#N)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3nc4ccccn4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(C)cn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(F)cn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(cn3)C#N)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(cn3)C(F)(F)F)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Cc1ccc(C[C@@]2(O)C[C@@H]3CN(CC(=O)c4ccc(O)cc4)C[C@@H]3C2)cc1 |r|
Cc1ccc(C[C@@]2(O)C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1 |r,w:13.13|
Cc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cn1
Cc1ccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)c(C)c1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccc(F)cc2)cc1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2)c(C)c1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2)cc1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2C)c(C)c1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@@](O)(C[C@H]3C2)c2ccccc2C)cc1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@](O)(Cc4ccccc4)C[C@H]3C2)c(C)c1 |r|
Cc1ccc(NC(=O)N2C[C@H]3C[C@](O)(Cc4ccccc4)C[C@H]3C2)cc1 |r|
Cc1ccc(OC2CCN(CC2)C(=O)c2nc3cc(O)c(O)cc3[nH]2)cc1
Cc1ccc(OC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)cc1
Cc1ccc(cc1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:10|
Cc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Cc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Cc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Cc1ccc(cc1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C(O)=O
Cc1ccc(cc1)-c1nc2ccc(O)c(CNC3CC3)c2[nH]1
Cc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1ccc(cc1-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1)C(F)(F)F
Cc1ccc(cc1-c1cnc2[nH]c(=O)n(CCN3CC(F)C3)c2c1)C(F)(F)F
Cc1ccc(cc1-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1)C(F)(F)F
Cc1ccc(cc1F)-c1cnn(Cc2ccn(C)n2)c1
Cc1ccc(cc1F)-n1cc(Cn2ccnc2C2CC2)nn1
Cc1ccc(cc1F)N1CCC(N2CCC(c3ccc(O)cc3)C(F)(F)C2)C1=O
Cc1ccc(cc1F)N1CC[C@@H](N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O |r|
Cc1ccc(cc1F)N1CC[C@H](N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O |r|
Cc1ccc(cn1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Cc1ccc(s1)-c1cnc2c(C)cn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1ccc(s1)-c1cnc2c(C)cn(CC(=O)N3CC(F)C3)c2c1
Cc1ccc(s1)-c1cnc2c(C)cn(CC(=O)N3CCC3)c2c1
Cc1ccc(s1)-c1cnc2c(C)cn(CC(=O)N3CCCC3)c2c1
Cc1ccc(s1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
Cc1ccc(s1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1ccc(s1)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
Cc1ccc(s1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1ccc(s1)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1ccc(s1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1ccc(s1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Cc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CCC3)c2c1
Cc1ccc(s1)-c1cnc2n(C)c(=O)n(Cc3cn(C)nn3)c2c1
Cc1ccc(s1)-c1cnc2n(C)c(=O)n(Cc3cnn(C)c3)c2c1
Cc1ccc(s1)-c1cnc2n(C)c(=O)n(Cc3csnn3)c2c1
Cc1ccc(s1)-c1cnc2n(C)c(=O)n(Cc3nnc(C)o3)c2c1
Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
Cc1cccc(-c2cnc3[nH]c(=O)n(CCN4CC(F)C4)c3c2)c1C
Cc1cccc(-c2cnc3c(F)cn(CC(=O)N4CC(F)C4)c3c2)c1F
Cc1cccc(-c2cnc3n(C)c(=O)n(CC(=O)N4CC(F)(F)C4)c3c2)c1F
Cc1cccc(-c2cnc3n(C)c(=O)n(CC(=O)N4CC(F)C4)c3c2)c1F
Cc1cccc(C)c1-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1cccc(C)c1-c1cnc2[nH]c(=O)n(CCN3CCCC3)c2c1
Cc1cccc(CC2CCN(CC2)C(=O)c2nc3cc(O)c(O)cc3[nH]2)c1
Cc1cccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)c1
Cc1cccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)c1
Cc1cccc(CN2CCC(N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)c1 |r|
Cc1cccc(CN2CCC(N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)c1 |r|
Cc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1
Cc1cccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c1
Cc1cccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c1F
Cc1cccc(F)c1COC(=O)N1CCOC(C1)c1nc2c(C)ncnc2[nH]1
Cc1cccc(F)c1COC(=O)N1CCOC(C1)c1nc2cncnc2[nH]1
Cc1cccc(NC(=O)N2C[C@H]3C[C@](O)(Cc4ccccc4)C[C@H]3C2)c1 |r|
Cc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:10|
Cc1cccc(c1)-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(CCc3ccccc3)C[C@H]2C1 |r|
Cc1cccc(c1)-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Cc1cccc(c1)-c1cccc(c1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Cc1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Cc1cccc(c1)-c1cnc2c(Br)cn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1)-c1cnc2c(Br)cn(CC(=O)N3CCCC3)c2c1
Cc1cccc(c1)-c1cnc2c(Br)cn(CC(=O)N3CCOCC3)c2c1
Cc1cccc(c1)-c1cnc2c(Br)cn(CC(=O)NC3CC3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)C3CC3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCCC3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCOCC3)c2c1
Cc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)NC3CC3)c2c1
Cc1cccc(c1)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
Cc1cccc(c1)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)C3CC3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Cc1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1cccc(c1)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)(F)C3)c2c1
Cc1cccc(c1)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)C3)c2c1
Cc1cccc(c1)-c1cnc2n(C)c(=O)n(Cc3cccnc3)c2c1
Cc1cccc(c1)-c1cnc2n(C)c(=O)n(Cc3cccnn3)c2c1
Cc1cccc(c1)-c1cnc2n(C)c(=O)n(Cc3cncc(Cl)c3)c2c1
Cc1cccc(c1)-c1cnc2n(C)c(=O)n(Cc3cncc(F)c3)c2c1
Cc1cccc(c1C)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1cccc(c1C)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1C)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1cccc(c1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
Cc1cccc(c1F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1F)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1F)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1cccc(c1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1cccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cccnc3)c2c1
Cc1cccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cncc(Cl)c3)c2c1
Cc1cccc(c1F)-c1cnc2n(C)c(=O)n(Cc3cncc(F)c3)c2c1
Cc1cccc(n1)C#Cc1ccccc1
Cc1cccc(n1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(F)cc1 |r|
Cc1cccc(n1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(cc1)C(C)(C)C |r|
Cc1cccc(n1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r|
Cc1cccc(n1)N1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1C |r|
Cc1cccc2[nH]c(nc12)-c1ccccc1
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C(C)(C)C)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccccn3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccncc3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ncccn3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCCC4)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCO4)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cc(F)ccc4F)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccc(cc4)C(C)(C)C)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cccc5ccccc45)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccccc4F)CC3)nc12
Cc1ccccc1-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Cc1ccccc1-c1cccc(c1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Cc1ccccc1-c1cnc2[nH]c(=O)n(CCN3CC(F)C3)c2c1
Cc1ccccc1-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Cc1ccccc1-c1cnc2[nH]c(=O)n(CCN3CCCC3)c2c1
Cc1ccccc1-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1ccccc1-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1ccccc1CC1CCN(CC1)C(=O)c1nc2ccc(O)cc2[nH]1
Cc1ccccc1CN1CCC(N2CCC(c3ccc(O)cc3)C(F)(F)C2)C1=O
Cc1ccccc1CN1CCC(N2CC[C@@H]([C@@H](F)C2)c2ccc(O)cc2)C1=O |r|
Cc1ccccc1CN1CCC(N2CC[C@H]([C@H](F)C2)c2ccc(O)cc2)C1=O |r|
Cc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1
Cc1ccccc1C[C@@]1(O)C[C@@H]2CN(CC(=O)c3ccc(O)cc3)C[C@@H]2C1 |r|
Cc1ccccc1C[C@@]1(O)C[C@@H]2CN(CC(O)c3ccc(O)cc3)C[C@@H]2C1 |r,w:15.16|
Cc1ccccc1N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(CC(O)c3cccc(c3)C(F)(F)F)C[C@@H]2C1 |r,w:14.15|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(F)cc1 |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(Cl)c1 |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C#N |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccccc1 |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)c1cccc(n1)C(F)(F)F |r|
Cc1ccccc1[C@@]1(O)C[C@@H]2CN(C[C@@H]2C1)c1ccccn1 |r|
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1cc(F)cc(F)c1
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1F
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(F)c1
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(F)c1
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(F)c1F
Cc1cccnc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1cc(F)c(F)c(F)c1
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(C)c1F
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(F)c1
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(c1)C(F)(F)F
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(F)c1
Cc1ccncc1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1ccc(F)c(C)c1
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1ccc(F)c(C)c1F
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1ccc(F)c(F)c1
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1ccc(F)c(F)c1F
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1cccc(C)c1F
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1cccc(c1)C(F)(F)F
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1cccc(c1F)C(F)(F)F
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1ccccc1
Cc1cn(CC(=O)N2CC(F)(F)C2)c2cc(cnc12)-c1ccccc1F
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1cc(F)c(F)c(F)c1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1cc(F)cc(F)c1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccc(Cl)s1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccc(F)c(C)c1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccc(F)c(C)c1F
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccc(F)c(F)c1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccc(F)c(F)c1F
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1cccc(C)c1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1cccc(C)c1F
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1cccc(c1)C(F)(F)F
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1cccc(c1F)C(F)(F)F
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccccc1
Cc1cn(CC(=O)N2CC(F)C2)c2cc(cnc12)-c1ccccc1F
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cc(F)c(F)c(F)c1
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cc(F)cc(F)c1
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(C)c1
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(C)c1F
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(F)c1
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(F)c1F
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)cc1
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(C)c1
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(C)c1F
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(c1)C(F)(F)F
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(c1F)C(F)(F)F
Cc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccccc1F
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1cc(F)cc(F)c1
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccc(F)c(C)c1
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccc(F)c(C)c1F
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccc(F)c(F)c1
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccc(F)c(F)c1F
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccc(F)cc1
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1cccc(C)c1F
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1cccc(c1)C(F)(F)F
Cc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1cccc(c1F)C(F)(F)F
Cc1cn(CC(=O)N2CCOCC2)c2cc(cnc12)-c1ccc(F)cc1
Cc1cn(CC(=O)NC2CC2)c2cc(cnc12)-c1ccc(F)cc1
Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1 |wU:13.16,wD:10.9,(9.08,-7.45,;7.55,-7.45,;6.65,-6.21,;5.19,-6.67,;5.18,-8.21,;3.84,-8.97,;2.51,-8.19,;1.18,-8.95,;1.18,-10.5,;-.16,-8.18,;-1.49,-8.96,;-2.83,-8.17,;-4.16,-8.96,;-4.16,-10.5,;-2.83,-11.27,;-1.49,-10.5,;-5.49,-11.27,;-6.83,-10.5,;-8.15,-11.26,;-8.16,-12.82,;-9.48,-13.59,;-6.81,-13.58,;-5.48,-12.81,;6.64,-8.7,)|
Cc1cnc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)c(F)c1
Cc1cnc(NC[C@H]2CCN(CC2(F)F)C(=O)OCc2ccc(Cl)cc2)cn1 |r|
Cc1cnc(NC[C@H]2CCN(CC2(F)F)C(=O)OCc2ccc(F)cc2)cn1 |r|
Cc1cnc(c(F)c1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1cnc(c(F)c1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Cc1cnc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cc(F)c(F)c(F)c2)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cc(F)cc(F)c2)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(C)c2)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(C)c2F)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(F)c2)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(c2)C(F)(F)F)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(Cl)c2)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(F)c2)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(F)c2F)c1
Cc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)c1
Cc1csc(c1)-c1cnc2[nH]c(=O)n(Cc3cc(C)on3)c2c1
Cc1csc(c1)-c1cnc2[nH]c(=O)n(Cc3nc(C)no3)c2c1
Cc1csc(c1)-c1cnc2c(C)cn(CC(=O)N3CC(F)C3)c2c1
Cc1csc(c1)-c1cnc2c(C)cn(CC(=O)N3CCC3)c2c1
Cc1csc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
Cc1csc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Cc1csc(c1)-c1cnc2c(F)cn(CC(=O)C3CC3)c2c1
Cc1csc(c1)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
Cc1csc(c1)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)C(C)(C)C)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Cc1csc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1csc(c1)-c1cnc2ccn(Cc3ccc(o3)C(F)(F)F)c2c1
Cc1csc(c1)-c1cnc2ccn(Cc3cccnn3)c2c1
Cc1csc(c1)-c1cnc2n(C)c(=O)n(Cc3cc(C)on3)c2c1
Cc1csc(n1)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)C3)c2c1
Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:11.11,14.15,(19.66,-44.61,;19.98,-46.12,;18.95,-47.26,;19.73,-48.59,;21.23,-48.27,;22.38,-49.3,;21.39,-46.74,;22.72,-45.96,;22.72,-44.42,;24.06,-46.73,;25.39,-45.96,;26.72,-46.72,;26.72,-48.26,;28.05,-49.02,;29.38,-48.26,;30.72,-49.03,;32.05,-48.26,;33.38,-49.04,;34.72,-48.27,;36.05,-49.04,;37.38,-48.28,;37.39,-46.74,;36.05,-45.96,;34.72,-46.74,;29.38,-46.72,;28.05,-45.94,)|
Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:11.11,14.15,(-5.39,-42.57,;-5.07,-44.07,;-6.1,-45.22,;-5.32,-46.55,;-3.82,-46.23,;-2.67,-47.25,;-3.66,-44.7,;-2.32,-43.93,;-2.33,-42.39,;-.99,-44.69,;.34,-43.92,;1.68,-44.68,;3.01,-43.91,;4.34,-44.68,;4.34,-46.22,;5.67,-47,;7.01,-46.23,;8.34,-47,;8.33,-48.54,;9.66,-49.31,;11,-48.54,;11,-46.99,;9.66,-46.23,;3.01,-46.99,;1.68,-46.22,)|
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(Cl)c(c1)C(F)F
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(Cl)cc1
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(F)c(c1)C(F)F
Cc1n[nH]c(C)c1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Cc1n[nH]c(C)c1Cn1cc(cn1)-c1ccc(F)c(c1)C(C)(F)F
Cc1n[nH]c(C)c1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
Cc1n[nH]c2ncnc(NC3CCN(CC(F)(F)c4ccc(cn4)C(F)(F)F)CC3)c12
Cc1n[nH]c2ncnc(NC3CCN(CC(F)(F)c4ccc(nc4)C(F)(F)F)CC3)c12
Cc1n[nH]c2ncnc(NC3CCN(CCc4ccc(cc4)C(F)(F)F)CC3(F)F)c12
Cc1nc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(F)c2)no1
Cc1nc(cs1)C#Cc1cccnc1
Cc1nc2ccccc2n1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Cc1ncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cn1
Cc1ncc(s1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1ncc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CC(F)C3)c2c1
Cc1ncc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CCC3)c2c1
Cc1nccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)n1
Cc1nccc(Cn2c3cc(cnc3n(C)c2=O)-c2cccc(c2)C(F)(F)F)n1
Cc1nccn1Cc1cc(cnn1)-c1ccc(F)c(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(C)c(F)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(F)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1Cl
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(C)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(C)(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(cc1)C(F)(F)F
Cc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
Cc1nccn1Cc1cn(nn1)-c1cccc(c1)C(F)(F)F
Cc1nccn1Cc1cn(nn1)-c1cccc(c1)C1CC1
Cc1nccn1Cc1cn(nn1)-c1cccc(c1)S(C)(=O)=O
Cc1ncnc2[nH]c(nc12)C1CN(CCO1)C(=O)OCc1c(F)cccc1F
Cc1ncnc2[nH]c(nc12)C1CN(CCO1)C(=O)OCc1ccc(F)cc1
Cc1ncnc2[nH]c(nc12)C1CN(CCO1)C(=O)OCc1ccccc1F
Cc1ncnn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1nnc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)o1
Cc1nnc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(C)c2F)o1
Cc1nnc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(F)c2)o1
Cc1nnc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)(F)F)o1
Cc1nnc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)F)o1
Cc1nnc(Cn2c3cc(cnc3n(C)c2=O)-c2cccc(c2)C(F)(F)F)o1
Cc1nnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)o1
Cc1nnc(Cn2ncc3ncc(nc23)-c2ccc(F)c(c2)C(F)F)o1
Cc1nnc(Cn2ncc3ncc(nc23)-c2ccc(F)c(c2)C(F)F)s1
Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)[nH]1
Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1
Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)[nH]1
Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1
Cc1noc(C)c1Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C#N
Cc1noc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(F)c2)n1
Cc1noc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)n1
Cc1noc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(C)s2)n1
Cc1noc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(C)c2F)n1
Cc1noc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(F)c2)n1
Cc1noc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)(F)F)n1
Cc1noc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)F)n1
Cc1noc(Cn2c3cc(cnc3n(C)c2=O)-c2cccc(c2)C(F)(F)F)n1
Cc1noc(Cn2cc(Cl)c3ncc(cc23)-c2ccc(F)c(C)c2)n1
Cc1noc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)n1
Clc1cc(Cl)cc(CC(=O)N2CCCC(C2)c2nc3cc(Cl)c(Cl)cc3[nH]2)c1
Clc1cc(Cl)cc(CC(=O)N2CCOC(C2)c2nc3nc(Cl)ccc3[nH]2)c1
Clc1cc(Cl)cc(CNC(=O)N2CCCC(C2)c2nc3nc(Cl)ccc3[nH]2)c1
Clc1ccc(CC2CCN(CC2)C(=O)c2cc(on2)-c2ccc(=O)[nH]c2)cc1
Clc1ccc(CC2CCN(CC2)C(=O)c2cc(on2)-c2cn[nH]c2)cc1
Clc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
Clc1ccc(CN2CCN(CC2)C(=O)c2cc(on2)-c2ccc(=O)[nH]c2)cc1
Clc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)cc1
Clc1ccc(c(Cl)c1)-n1cc(Cn2ccnc2C2CC2)nn1
Clc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
Clc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
Clc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
Clc1ccc(cc1)-c1cnn(Cc2cc[nH]n2)c1
Clc1ccc(cc1)-n1cc(Cn2ccnc2C2CC2)nn1
Clc1ccc(cc1)-n1cc(Cn2ncnc2C2CCCC2)nn1
Clc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2NC(=O)CCc2c1
Clc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2NC(=O)Cc2c1
Clc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Clc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(on1)-c1ccc(=O)[nH]c1
Clc1ccc(cc1Cl)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Clc1ccc(cc1Cl)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Clc1ccc(cc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Clc1ccc(cc1Cl)-n1cc(Cn2ccnc2C2CCC2)nn1
Clc1ccc(s1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Clc1ccc(s1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Clc1ccc(s1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Clc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Clc1ccc2[nH]c(CN3CCN(CC3=O)C(=O)Cc3cc(Cl)cc(Cl)c3)nc2c1
Clc1ccc2[nH]c(nc2c1)[C@@H]1CCCN(C1)C(=O)Cc1cc(Cl)cc(Cl)c1 |r|
Clc1ccc2[nH]c(nc2c1)[C@H]1CCCN(C1)C(=O)Cc1cc(Cl)cc(Cl)c1 |r|
Clc1cccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)c1 |r|
Clc1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Clc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Clc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Clc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Clc1cccc(c1Cl)-c1cnc2[nH]c(=O)n(CC3CCN3)c2c1
Clc1ccccc1COC(=O)N1CCOC(C1)c1nc2cncnc2[nH]1
Clc1ccsc1-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Clc1cn(CC(=O)C2CC2)c2cc(cnc12)-c1ccccc1
Clc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(Cl)c1
Clc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccccc1
Clc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccs1
Clc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccccc1
Clc1cn(CC(=O)N2CCOCC2)c2cc(cnc12)-c1ccccc1
Clc1cn(CC(=O)NC2CC2)c2cc(cnc12)-c1ccccc1
Clc1csc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Clc1csc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Clc1csc(c1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Clc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cn1c(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)nc2ccccc12 |wU:11.14,wD:8.7,(27.83,-9.24,;27.07,-7.91,;25.61,-7.43,;24.27,-8.19,;22.94,-7.41,;21.6,-8.17,;21.6,-9.72,;20.26,-7.4,;18.93,-8.17,;17.58,-7.38,;16.25,-8.17,;16.25,-9.71,;17.58,-10.48,;18.93,-9.71,;14.92,-10.49,;13.58,-9.71,;12.24,-10.49,;12.24,-12.04,;10.91,-12.81,;13.59,-12.8,;14.93,-12.03,;25.61,-5.89,;27.08,-5.42,;27.84,-3.92,;29.37,-3.9,;30.15,-5.23,;29.39,-6.56,;27.85,-6.57,)|
Cn1c(cc2ccc(O)cc12)C(=O)N1CCC(Cc2ccccc2)CC1
Cn1c2cc3CCCC(Cc3cc2n(C)c1=O)NCCCc1ccccc1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1ccc(Cl)c(OC(F)F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1ccc(F)c(OC(F)F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1ccc(F)c(c1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)(F)C2)c1=O)-c1cccc(c1F)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1cc(F)c(F)c(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1cc(cs1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(CO)s1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(Cl)c(OC(F)F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(F)c(OC(F)F)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(F)c(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(F)c(c1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(F)s1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(s1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(s1)C1CC1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1cccc(Cl)c1
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccsc1C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1cnc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1csc(c1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1csc(n1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC(F)(F)C2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cc(F)c(F)c(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cc(F)cc(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cc(OCCF)cc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cc(cs1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(CO)s1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(Cl)c(OC(F)F)c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(F)c(OC(F)F)c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(F)c(c1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(F)s1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C1CC1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccsc1C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cnc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1csc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1csc(c1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1csc(n1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCCC2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCCC2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)NC2(C)CC(F)(F)C2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)NC2(C)COC2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)NC2CC(F)(F)C2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)NCCCCl)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(O)=O)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC2CCN2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC2CCO2)c1=O)-c1cccc(Cl)c1
Cn1c2ncc(cc2n(CC2CCO2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC2CCO2)c1=O)-c1cccc(c1)C(F)F
Cn1c2ncc(cc2n(CC2CCO2)c1=O)-c1cccc(c1F)C(F)(F)F
Cn1c2ncc(cc2n(Cc2ccccn2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2ccccn2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2ccccn2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cc(F)c(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cc(F)cc(F)c1
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cc(ccc1F)C(F)F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1ccc(F)c(Cl)c1
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1ccc(F)c(F)c1F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1ccc(F)c(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cccc(Cl)c1F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cccc(c1)C(F)F
Cn1c2ncc(cc2n(Cc2cccnc2)c1=O)-c1cccc(c1F)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cc(F)c(F)c(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cc(F)cc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cc(ccc1F)C(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(Cl)c(OC(F)F)c1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(Cl)c(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(F)c(Cl)c1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(F)c(OC(F)F)c1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(F)c(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(F)c(c1)C(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(F)s1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1ccc(s1)C(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cccc(Cl)c1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1cccc(c1)C(F)F
Cn1c2ncc(cc2n(Cc2cccnn2)c1=O)-c1csc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2ccncc2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2ccncc2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2ccncc2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2ccncn2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2ccncn2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2ccncn2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cncc(Cl)c2)c1=O)-c1cc(F)c(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cncc(Cl)c2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cncc(Cl)c2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cncc(Cl)c2)c1=O)-c1cccc(F)c1F
Cn1c2ncc(cc2n(Cc2cncc(Cl)c2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1cc(F)c(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1ccc(Cl)c(Cl)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1ccc(Cl)c(OC(F)F)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1ccc(F)c(F)c1F
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1ccc(F)c(OC(F)F)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1ccc(F)c(c1)C(F)F
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1cccc(Cl)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1cccc(Cl)c1F
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1cccc(F)c1F
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1cccc(OC(F)(F)F)c1
Cn1c2ncc(cc2n(Cc2cncc(F)c2)c1=O)-c1cccc(OC(F)F)c1
Cn1c2ncc(cc2n(Cc2cnccn2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cnccn2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2cnccn2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2cncnc2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2cncnc2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2cncnc2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2csnn2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2csnn2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2csnn2)c1=O)-c1ccc(s1)C(F)F
Cn1c2ncc(cc2n(Cc2csnn2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(Cc2ncccn2)c1=O)-c1ccc(F)c(F)c1
Cn1c2ncc(cc2n(Cc2ncccn2)c1=O)-c1cccc(F)c1
Cn1c2ncc(cc2n(Cc2ncccn2)c1=O)-c1cccc(c1)C(F)(F)F
Cn1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)cn1
Cn1cc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)nn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(F)c2)cn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(F)c(F)c2)nn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)(F)F)cn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)(F)F)nn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)F)cn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2ccc(s2)C(F)F)nn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2cccc(c2)C(F)(F)F)cn1
Cn1cc(Cn2c3cc(cnc3n(C)c2=O)-c2cccc(c2)C(F)(F)F)nn1
Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
Cn1cc(Cn2cc(cn2)-c2ccc(Cl)cc2)cn1
Cn1cc(Cn2cc(cn2)-c2ccc(F)c(OC(F)F)c2)cn1
Cn1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(C)(F)F)cn1
Cn1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)cn1
Cn1cc(Cn2cc(cn2)-c2cccc(c2)S(C)(=O)=O)cn1
Cn1ccc(C[N]2=CC(C=N2)c2cccc(c2)C(F)(F)F)n1 |c:9,t:6|
Cn1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(Cl)c2)n1
Cn1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(F)c2)n1
Cn1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)n1
Cn1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2F)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Br)cc2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(Cl)c2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(F)c2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)F)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)cc2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)cc2Cl)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(F)c(Cl)c2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(cc2)C(F)(F)F)n1
Cn1ccc(Cn2cc(cn2)-c2cccc(Br)c2)n1
Cn1ccc(Cn2cc(cn2)-c2cccc(OC(F)(F)F)c2)n1
Cn1cnc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)cc2)n1
Cn1nccc1-n1cc(cn1)-c1ccc(Cl)c(Cl)c1
Cn1nccc1-n1cc(cn1)-c1ccc(F)c(Cl)c1
Cn1nccc1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Cn1nccc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Cn1nccc1Cn1cc(cn1)-c1ccc(Cl)cc1
Cn1nccc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cc1
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cn1
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccccn1
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ncc12)c1ccc(Cl)cn1
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ncc12)c1ccccn1
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ncc12)c1ncc(Cl)cc1Cl
FC(F)(F)C1CN(CCn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)C1
FC(F)(F)Oc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FC(F)(F)Oc1ccc(cc1)C(=N)NCC12C3C4C5C3C1C5C24 |(22.85,-30.48,;24.18,-29.7,;22.83,-28.93,;24.17,-28.16,;25.51,-30.47,;26.84,-29.69,;28.18,-30.45,;29.51,-29.67,;29.5,-28.14,;28.16,-27.38,;26.83,-28.15,;30.83,-27.37,;30.82,-25.83,;32.16,-28.13,;33.49,-27.36,;34.81,-28.11,;36.64,-27.49,;37.15,-29.38,;37.81,-29.67,;37.31,-27.77,;35.47,-28.41,;35.97,-30.3,;35.31,-30.01,)|
FC(F)(F)Oc1ccc(cc1)C1=NC(CN1)c1cccc(Cl)c1 |t:12|
FC(F)(F)Oc1ccc(cc1)C1=NCCCC(N1)c1ccccc1 |t:12|
FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1cc(Cl)cc(Cl)c1 |t:13|
FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1cccc(Cl)c1 |t:13|
FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1C(F)(F)F |t:13|
FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1OC(F)(F)F |t:13|
FC(F)(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc(Cl)c3)Cc2c1
FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc4ccoc34)Cc2c1
FC(F)(F)Oc1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
FC(F)(F)Oc1cccc(c1)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1cc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)ccc1Cl |r|
FC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1cc(ccn1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
FC(F)(F)c1cc(ccn1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cc(ccn1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ccc34)C(F)(F)C2)cc1
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ccc34)C(F)(F)C2)cn1
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cn1
FC(F)(F)c1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cc1
FC(F)(F)c1ccc(cc1)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)(F)c1ccc(s1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)c1
FC(F)(F)c1cccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)c1 |r|
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)C3CC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)C3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CC(F)(F)C3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CC4(CNC4)C3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCCCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)N3CCOCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC(F)(F)C3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CCCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3COC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)Nc3ccccn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)c3nccs3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3(F)COC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CC3(F)F)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CCCCO3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CCCO3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CCN3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CCO3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC3CNCCO3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CC(F)(F)C3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CCCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CCN3CCCCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CCNC3CC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CCNC3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(C[C@@H]3CCO3)c2c1 |r|
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(C[C@H]3CCO3)c2c1 |r|
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccc(=O)[nH]c3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccc(nc3)C(F)(F)F)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccc[nH]c3=O)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccc(Cl)c3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccc(c3)C#N)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccc3C#N)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccncc3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccncn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cncc(c3)C(F)(F)F)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cnccc3C(F)(F)F)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cnccn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cncnc3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3csnn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ncccn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3nn[nH]n3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(c2c1)C(F)(F)c1cccnc1
FC(F)(F)c1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2c(Cl)cn(Cc3cccnc3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2c(Cl)cn(Cc3cccnn3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
FC(F)(F)c1cccc(c1)-c1cnc2ccn(Cc3cccnn3)c2c1
FC(F)(F)c1cccc(c1)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1cccc(n1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cccc(n1)-c1cnc2c(Cl)cn(CC(=O)NC3CC3)c2c1
FC(F)(F)c1cccc(n1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
FC(F)(F)c1cccc(n1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cccc(n1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
FC(F)(F)c1cncc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cncc(c1)-c1cnc2c(Cl)cn(CC(=O)NC3CC3)c2c1
FC(F)(F)c1cncc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
FC(F)(F)c1cncc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
FC(F)Oc1cc(Cl)cc(c1)-c1cnn(Cc2cc[nH]n2)c1
FC(F)Oc1cc(ccc1Cl)-c1cnc2cnn(CC(=O)C3CC3)c2n1
FC(F)Oc1cc(ccc1Cl)-c1cnc2cnn(CC(=O)N3CCC3)c2n1
FC(F)Oc1cc(ccc1Cl)-c1cnn(CCc2cn[nH]c2)c1
FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2ccn(n2)C2CCCC2)c1
FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cn[nH]c2)c1
FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)Oc1cc(ccc1F)-c1cnc2cnn(CC(=O)N3CC(F)C3)c2n1
FC(F)Oc1cc(ccc1F)-c1cnc2cnn(CC(=O)N3CCC3)c2n1
FC(F)Oc1cc(ccc1F)-c1cnc2cnn(CC3CNC(=O)O3)c2n1
FC(F)Oc1cc(ccc1F)-c1cnc2cnn(Cc3cncc(Cl)c3)c2n1
FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
FC(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)Oc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
FC(F)Oc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cncc(F)c3)c2c1
FC(F)Oc1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
FC(F)c1cc(Cl)cc(c1)-c1cnn(Cc2cc[nH]n2)c1
FC(F)c1cc(F)cc(c1)-c1cnn(Cc2cc[nH]n2)c1
FC(F)c1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
FC(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)c1cc(ccc1F)-c1cnc2c(F)nn(CC(=O)N3CC(F)C3)c2n1
FC(F)c1cc(ccc1F)-c1cnc2c(F)nn(CC(=O)N3CCC3)c2n1
FC(F)c1cc(ccc1F)-c1cnc2c(F)nn(Cc3cncc(c3)C#N)c2n1
FC(F)c1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
FC(F)c1cc(ccc1F)-c1cnc2cnn(CC(=O)N3CC(F)C3)c2n1
FC(F)c1cc(ccc1F)-c1cnc2cnn(CC(=O)N3CCC3)c2n1
FC(F)c1cc(ccc1F)-c1cnc2cnn(Cc3cncc(Cl)c3)c2n1
FC(F)c1cc(ccc1F)-c1cnc2cnn(Cc3cncc(F)c3)c2n1
FC(F)c1cc(ccc1F)-c1cnc2cnn(Cc3cncc(c3)C#N)c2n1
FC(F)c1cc(ccc1F)-c1cnn(CCc2cn[nH]c2)c1
FC(F)c1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
FC(F)c1cc(ccc1F)-n1cc(Cc2cc[nH]n2)nn1
FC(F)c1cc(ccc1F)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FC(F)c1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)cc1
FC(F)c1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
FC(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
FC(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
FC(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cncc(F)c3)c2c1
FC(F)c1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)C3)c2c1
FC(F)c1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
FC(F)c1cccc(c1)-c1cnc2c(F)cn(CC(=O)C3CC3)c2c1
FC(F)c1cccc(c1)-c1cnc2c(F)cn(CC(=O)N3CC(F)C3)c2c1
FC(F)c1cccc(c1)-c1cnc2c(F)cn(CC(=O)N3CCC3)c2c1
FC(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
FC(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
FC(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
FC1(F)CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccccc1
FC1(F)CN(CC[C@@H]1CNc1ccncc1)C(=O)OC1Cc2ccccc2C1 |r|
FC1(F)CN(CC[C@@H]1CNc1ccncn1)C(=O)OC1Cc2ccccc2C1 |r|
FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OC1Cc2ccccc2C1 |r|
FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OCc1ccc(Cl)cc1 |r|
FC1(F)CN(CC[C@@H]1CNc1nccn2cnnc12)C(=O)OCc1ccc(Cl)cc1 |r|
FC1(F)CN(CCc2ccc(Cl)cc2)CCC1Nc1ncnc2[nH]ncc12
FC1(F)CN(CCc2ccccc2)CCC1Nc1ncnc2[nH]ncc12
FC1CCN(CCn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)CC1
FC1CN(C1)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(s1)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(Cl)cs1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cc(F)cc(F)c1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(Cl)s1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(Cl)c1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(F)c1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(F)c1F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)c(c1)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccc(F)cc1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(Cl)c1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(Cl)c1F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(F)c1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(c1F)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccc(n1)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccccc1
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1ccccc1F
FC1CN(C1)C(=O)Cn1cc(Cl)c2ncc(cc12)-c1cccs1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(F)c(F)c(F)c1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cc(F)cc(F)c1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(Cl)c1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(F)c1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(F)c1F
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)c(c1)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccc(F)cc1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(Cl)c1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(Cl)c1F
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(F)c1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccc(c1F)C(F)(F)F
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccccc1
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1ccccc1F
FC1CN(C1)C(=O)Cn1cc(F)c2ncc(cc12)-c1cccs1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cc(Cl)cs1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)c(F)c(F)c1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cc(F)cc(F)c1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)s1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1F
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)(F)F
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1F
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cccc(F)c1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1F)C(F)(F)F
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccccc1
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccccc1F
FC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1cccs1
FC1CN(CCn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)C1
FC1CN(CCn2c3cc(cnc3[nH]c2=O)-c2ccccc2)C1
FCCC1CN(C1)C(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
FCCNC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
FCCOc1cc(cc(c1)C(F)(F)F)-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
FCCOc1ccc(cc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CC(=O)N3CCC3)c2c1
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(21.73,-5.98,;23.06,-6.76,;24.4,-6,;25.73,-6.78,;27.06,-6.02,;28.38,-6.79,;29.71,-6.01,;31.04,-6.78,;31.05,-8.33,;29.71,-9.1,;28.38,-8.33,;27.04,-9.09,;25.7,-9.85,;25.7,-11.38,;27.02,-12.16,;28.36,-11.4,;28.37,-9.86,;27.01,-13.7,;25.67,-14.45,;25.65,-15.99,;26.98,-16.77,;28.32,-16.01,;28.34,-14.47,;26.97,-18.31,;25.62,-19.06,;25.6,-20.59,;26.92,-21.39,;28.27,-20.63,;28.29,-19.09,;25.72,-8.32,)|
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(22.21,-27.33,;23.54,-28.11,;24.88,-27.35,;26.21,-28.13,;27.55,-27.37,;28.87,-28.14,;30.19,-27.36,;31.53,-28.13,;31.53,-29.68,;30.19,-30.45,;28.86,-29.68,;27.53,-30.43,;26.19,-31.2,;26.18,-32.73,;27.5,-33.51,;28.84,-32.75,;28.85,-31.2,;27.49,-35.05,;26.15,-35.8,;26.13,-37.33,;27.46,-38.12,;28.8,-37.36,;28.82,-35.82,;27.45,-39.66,;26.1,-40.41,;26.08,-41.94,;27.4,-42.73,;28.75,-41.98,;28.77,-40.44,;26.2,-29.66,)|
FCCc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
FCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
FCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
FCCn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
FCc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FCc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FCc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FCn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(s1)C(F)(F)F
FCn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
FCn1c2ncc(cc2n(CC(=O)N2CCCC2)c1=O)-c1ccc(s1)C(F)(F)F
FS(F)(F)(F)(F)c1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
F[C@H]1CCN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1 |r|
Fc1c(Cl)cccc1-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1c(Cl)cccc1-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1c(cccc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CC3CCN3)c2c1
Fc1c(cccc1C(F)(F)F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1c(cccc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1c(cccc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1c(cccc1C(F)(F)F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1cc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)ccc1Cl
Fc1cc(Cl)ccc1CCN1CCC(Nc2ncnc3[nH]ncc23)C(F)(F)C1
Fc1cc(Cl)cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1cc(Cl)cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Fc1cc(F)c(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c(F)c1
Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(CCN3CCC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(CCN3CCCC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(Cc3cccc(Cl)c3)c2c1
Fc1cc(F)cc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1cc(F)cc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1cc(F)cc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1cc(F)cc(c1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Fc1cc(cc(F)c1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1cc(cc(F)c1F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1cc(cc(F)c1F)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1cc(cc(F)c1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1cc(cc(F)c1F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1cc(cc(F)c1F)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1cc(cc(F)c1F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1cc(ccc1C(F)(F)F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Fc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Fc1cc(ccc1Cl)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Fc1cc(cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12)C(F)(F)F
Fc1cc(cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12)C(F)(F)F
Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
Fc1ccc(CC2CCN(CC2)C(=O)c2cc(on2)-c2ccc(=O)[nH]c2)cc1
Fc1ccc(CC2CCN(CC2)C(=O)c2cc(on2)-c2cn[nH]c2)cc1
Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
Fc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)c(F)c1
Fc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Fc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Fc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c(Cl)c1
Fc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c(F)c1
Fc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)cc1
Fc1ccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)cc1F
Fc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3ccccn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3F)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Fc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(Cl)c2)cc1
Fc1ccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)cn1
Fc1ccc(F)c(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)c1
Fc1ccc(F)c(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)cc1 |r|
Fc1ccc(c(F)c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(c(F)c1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(c(F)c1F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1ccc(c(F)c1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(c(F)c1F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1ccc(c(F)c1F)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1ccc(c(F)c1F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCN3)c2c1
Fc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Fc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Fc1ccc(cc1)-c1cnc2c(Br)cn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Br)cn(CC(=O)N3CCCC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Br)cn(CC(=O)N3CCOCC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Br)cn(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Cl)cn(CC(=O)C3CC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(cc1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Cl)cn(CC(=O)N3CCCC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Cl)cn(CC(=O)N3CCOCC3)c2c1
Fc1ccc(cc1)-c1cnc2c(Cl)cn(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)C3CC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)C3CCC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CC(C3)C#N)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCC(=O)C3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCC(F)(F)C3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)NCC3CC3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)NCc3ccccc3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC(=O)c3ccccc3)c2c1
Fc1ccc(cc1)-c1cnc2ccn(CC3CCCCO3)c2c1
Fc1ccc(cc1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
Fc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CC3CCN3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2[nH]c(=O)n(CC3CCO3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1ccc(cc1C(F)(F)F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1Cl)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1Cl)-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
Fc1ccc(cc1Cl)-c1cnc2[nH]c(=O)n(Cc3cccc(c3)C#N)c2c1
Fc1ccc(cc1Cl)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1Cl)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Fc1ccc(cc1Cl)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1
Fc1ccc(cc1F)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Fc1ccc(cc1F)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Fc1ccc(cc1F)-c1cnc2c(Cl)cn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(cc1F)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(C(=O)C3CCC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(C(=O)CC3CC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(Cc3cccnn3)c2c1
Fc1ccc(cc1F)-c1cnc2ccn(Cc3cncnc3)c2c1
Fc1ccc(cc1F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
Fc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1ccc2[nH]c(nc2c1)C1CCCN(C1)C(=O)Cc1cc(Cl)cc(Cl)c1
Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1
Fc1ccc2nc([nH]c2c1CN1CCCCC1)-c1ccccc1
Fc1ccc2nc([nH]c2c1CN1CCCCCC1)-c1ccccc1
Fc1ccc2nc([nH]c2c1CN1CCOCC1)-c1ccccc1
Fc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1
Fc1cccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c1
Fc1cccc(COC(=O)N2CCOC(C2)c2nc3cncnc3[nH]2)c1F
Fc1cccc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)c1
Fc1cccc(F)c1COC(=O)N1CCOC(C1)c1nc2cncnc2[nH]1
Fc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3ccccn3)c2c1
Fc1cccc(c1)-c1cnc2[nH]c(=O)n(Cc3cccnc3)c2c1
Fc1cccc(c1)-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)C3CC3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)C3CCC3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)N3CC(F)(F)C3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1cccc(c1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1cccc(c1F)-c1cncc(CNC2CC2)n1
Fc1cccc(c1F)-c1cncc(CNC2CCC2)n1
Fc1cccc(c1F)-c1cncc(CNCC2CC2)n1
Fc1ccccc1-c1cnc2c(Cl)cn(CC(=O)N3CCC3)c2c1
Fc1ccccc1-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Fc1ccccc1-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Fc1ccccc1-c1cnc2ccn(CC(=O)N3CCOCC3)c2c1
Fc1ccccc1-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Fc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1
Fc1ccccc1COC(=O)N1CCOC(C1)c1nc2cncnc2[nH]1
Fc1cn(CC(=O)C2CC2)c2cc(cnc12)-c1cc(F)c(F)c(F)c1
Fc1cn(CC(=O)C2CC2)c2cc(cnc12)-c1ccc(Cl)s1
Fc1cn(CC(=O)C2CC2)c2cc(cnc12)-c1ccc(F)c(F)c1
Fc1cn(CC(=O)C2CC2)c2cc(cnc12)-c1ccc(F)cc1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cc(Cl)cs1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cc(F)c(F)c(F)c1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cc(F)cc(F)c1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(Cl)s1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(Cl)c1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(F)c1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)c(F)c1F
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccc(F)cc1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(Cl)c1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(Cl)c1F
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(F)c1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(c1)C(F)(F)F
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccc(c1F)C(F)(F)F
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccccc1
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1ccccc1F
Fc1cn(CC(=O)N2CCC2)c2cc(cnc12)-c1cccs1
Fc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1cc(F)c(F)c(F)c1
Fc1cn(CC(=O)N2CCCC2)c2cc(cnc12)-c1ccc(F)cc1
Fc1cn(CC(=O)N2CCOCC2)c2cc(cnc12)-c1ccc(F)cc1
Fc1cnc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)nc1
Fc1cnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(F)c2)nc1
Fc1cnc(c(F)c1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Fc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2ccc(F)c(F)c2)c1
Fc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(Cl)c2)c1
Fc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(F)c2F)c1
Fc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(OC(F)(F)F)c2)c1
Fc1cncc(Cn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)c1
N#CN=C(NCc1ccccc1)NN1CCC(CNc2ncccn2)CC1 |w:2.1|
N#Cc1ccc(cc1)-c1cncc(CNC2CCCC2)n1
N#Cc1cccc(c1)-c1cncc(CNC2CCCC2)n1
N=C(NCc1ccccc1)C=Cc1ccccc1 |w:11.12|
NC(=NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1 |w:2.2,TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5|
NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1ccc(F)c(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1ccc2OCOc2c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccc(Cl)cc1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccc(F)cc1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F |w:2.2|
NC(=NCc1cccc(Cl)c1)c1cccc(Cl)c1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1cccc(F)c1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccccc1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccccc1Cl |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccccc1F |w:2.2|
NC(=NCc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |w:2.2|
NC(=NCc1ccccc1)c1ccc(Cl)cc1 |w:2.2|
NC(=NCc1ccccc1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1ccccc1)c1ccc(cc1)-c1ccccc1 |w:2.2|
NC(=NCc1ccccc1)c1ccc(cc1)C(F)(F)F |w:2.2|
NC(=NCc1ccccc1)c1ccccc1 |w:2.2|
NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1ccccc1Cl)c1ccc(cc1)C(F)(F)F |w:2.2|
NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |w:2.2|
NC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
NC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1ccc(F)c(Cl)c1
NC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
NCCCNCCCCNCCCN
Nc1[nH]ncc1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:10.10,13.14,(18.38,-36.74,;18.71,-38.24,;17.68,-39.39,;18.45,-40.72,;19.96,-40.4,;20.12,-38.87,;21.45,-38.09,;21.44,-36.55,;22.78,-38.86,;24.11,-38.08,;25.45,-38.85,;25.45,-40.39,;26.78,-41.15,;28.11,-40.39,;29.44,-41.16,;30.77,-40.39,;32.11,-41.17,;33.44,-40.4,;34.77,-41.17,;36.11,-40.41,;36.11,-38.86,;34.77,-38.09,;33.44,-38.86,;28.11,-38.85,;26.78,-38.07,)|
Nc1[nH]ncc1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:10.10,13.14,(-6.27,-33.66,;-5.94,-35.16,;-6.97,-36.31,;-6.19,-37.64,;-4.69,-37.31,;-4.53,-35.78,;-3.19,-35.01,;-3.2,-33.47,;-1.86,-35.78,;-.53,-35,;.81,-35.77,;2.14,-34.99,;3.47,-35.77,;3.47,-37.31,;4.8,-38.08,;6.13,-37.31,;7.47,-38.09,;7.46,-39.62,;8.79,-40.39,;10.13,-39.63,;10.12,-38.08,;8.79,-37.31,;2.14,-38.07,;.81,-37.31,)|
Nc1cc2nc([nH]c2cc1N)C(=O)N1CCC(Cc2ccccc2)CC1
Nc1ccc(cn1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(16.02,-1.74,;17.5,-1.27,;17.5,.28,;18.82,1.06,;20.17,.28,;20.18,-1.25,;18.85,-2.03,;21.5,1.06,;21.49,-.47,;21.5,2.6,;22.83,3.39,;24.16,2.6,;24.16,1.06,;22.83,.29,;25.5,3.37,;26.83,2.6,;26.83,1.06,;28.17,3.36,;29.5,2.58,;30.83,3.35,;32.16,2.56,;33.49,3.32,;33.51,4.86,;32.18,5.64,;30.85,4.89,)|
Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Nc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Nc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Nc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)[nH]1
Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1
Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)[nH]1
Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1
O=C(CCc1ccccc1)N1CCC(CNc2ncccn2)CC1
O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12
O=C(Cn1ccc2ncc(cc12)-c1ccc(nc1)C#N)N1CCC1
O=C(Cn1ccc2ncc(cc12)-c1ccccc1)C1CC1
O=C(Cn1ccc2ncc(cc12)-c1ccccc1)N1CCC1
O=C(Cn1ccc2ncc(cc12)-c1ccccc1)N1CCCC1
O=C(Cn1ccc2ncc(cc12)-c1ccccc1)N1CCOCC1
O=C(Cn1ccc2ncc(cc12)-c1ccccc1)NC1CC1
O=C(Cn1ccc2ncc(cc12)-c1cccs1)N1CCC1
O=C(Cn1ccc2ncc(cc12)-c1cccs1)N1CCCC1
O=C(Cn1ccc2ncc(cc12)-c1ccsc1)N1CCC1
O=C(Cn1ccc2ncc(cc12)-c1cncs1)N1CCC1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc(on1)-c1ccc(=O)[nH]c1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc(on1)-c1cn[nH]c1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(NCc3ccccc3)cccc2[nH]1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(ccc3[nH]cnc23)[nH]1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(ccc3[nH]ncc23)[nH]1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc2c(ccc3cn[nH]c23)[nH]1
O=C(N1CCC(Cc2ccccc2)CC1)c1cc2cc3[nH]c(=O)oc3cc2[nH]1
O=C(N1CCC(Cc2ccccc2)CC1)c1nc2c([nH]1)c1oc(=O)[nH]c1c1oc(=O)[nH]c21
O=C(N1CCC(Cc2ccccc2)CC1)c1nc2cc3oc(=O)[nH]c3cc2[nH]1
O=C(N1CCCCC1)c1cccc2nc([nH]c12)-c1ccccc1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)C1NNC(=O)C=C1 |w:19.20,wU:4.3,7.7,c:26,(18.91,-43.44,;18.92,-44.98,;20.25,-45.74,;21.59,-44.97,;22.92,-45.73,;22.92,-47.27,;24.25,-48.04,;25.58,-47.27,;26.91,-48.05,;28.25,-47.28,;29.58,-48.05,;30.91,-47.28,;32.25,-48.06,;33.58,-47.29,;33.58,-45.75,;32.24,-44.98,;30.91,-45.75,;25.58,-45.73,;24.25,-44.96,;17.59,-45.75,;17.6,-47.29,;16.26,-48.06,;14.92,-47.29,;13.59,-48.05,;14.92,-45.75,;16.25,-44.98,)|
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cc[nH]c1 |wU:4.3,7.7,(16.39,-6.18,;16.39,-7.72,;17.73,-8.49,;19.06,-7.71,;20.39,-8.48,;20.39,-10.02,;21.72,-10.78,;23.05,-10.02,;24.38,-10.79,;25.72,-10.02,;27.05,-10.79,;28.39,-10.03,;29.72,-10.8,;31.05,-10.03,;31.06,-8.49,;29.71,-7.72,;28.39,-8.49,;23.05,-8.48,;21.72,-7.7,;15.06,-8.49,;13.65,-7.87,;12.62,-9.02,;13.4,-10.35,;14.9,-10.03,)|
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc(=O)[nH]n1 |wU:4.3,7.7,(20.2,-34.76,;20.2,-36.3,;21.54,-37.06,;22.87,-36.29,;24.2,-37.05,;24.2,-38.59,;25.53,-39.36,;26.86,-38.59,;28.2,-39.37,;29.53,-38.6,;30.86,-39.37,;32.2,-38.6,;33.53,-39.38,;34.86,-38.61,;34.87,-37.07,;33.53,-36.3,;32.2,-37.07,;26.86,-37.05,;25.53,-36.28,;18.87,-37.07,;17.54,-36.3,;16.2,-37.07,;16.21,-38.61,;14.88,-39.39,;17.55,-39.38,;18.88,-38.6,)|
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1 |wU:7.7,4.3,(21.1,-26.08,;21.1,-27.62,;22.44,-28.39,;23.77,-27.62,;25.11,-28.38,;25.11,-29.92,;26.44,-30.68,;27.76,-29.92,;29.1,-30.69,;30.43,-29.92,;31.76,-30.7,;33.1,-29.93,;34.43,-30.7,;35.77,-29.94,;35.77,-28.4,;34.43,-27.62,;33.1,-28.4,;27.76,-28.38,;26.44,-27.6,;19.77,-28.39,;19.78,-29.93,;18.46,-30.7,;17.11,-29.94,;15.78,-30.71,;14.45,-29.94,;13.11,-30.71,;14.45,-28.4,;15.78,-27.63,;17.11,-28.4,;18.44,-27.62,)|
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |wU:4.3,7.7,(-1.62,4.65,;-1.62,3.11,;-.28,2.35,;1.05,3.12,;2.39,2.36,;2.39,.82,;3.72,.05,;5.05,.82,;6.38,.04,;7.71,.81,;9.05,.04,;10.38,.81,;11.71,.03,;13.05,.8,;13.05,2.34,;11.71,3.11,;10.38,2.34,;5.05,2.36,;3.72,3.13,;-2.95,2.34,;-2.94,.81,;-4.26,.03,;-5.61,.8,;-7.08,.33,;-7.99,1.58,;-7.07,2.83,;-5.6,2.35,;-4.28,3.11,)|
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccn[nH]1 |wU:4.3,7.7,(17.4,-25.44,;17.41,-26.98,;18.74,-27.74,;20.08,-26.97,;21.41,-27.74,;21.41,-29.28,;22.74,-30.04,;24.07,-29.28,;25.4,-30.05,;26.74,-29.28,;28.07,-30.05,;29.41,-29.28,;30.74,-30.06,;32.07,-29.29,;32.08,-27.75,;30.73,-26.98,;29.4,-27.75,;24.07,-27.74,;22.74,-26.96,;16.08,-27.75,;14.67,-27.13,;13.64,-28.28,;14.42,-29.61,;15.92,-29.28,)|
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(17.52,-15.71,;17.53,-17.25,;18.86,-18.01,;20.19,-17.24,;21.53,-18.01,;21.53,-19.55,;22.86,-20.31,;24.19,-19.55,;25.52,-20.32,;26.85,-19.55,;28.19,-20.32,;29.52,-19.55,;30.85,-20.33,;32.19,-19.56,;32.19,-18.02,;30.85,-17.25,;29.52,-18.02,;24.19,-18.01,;22.86,-17.23,;16.2,-18.02,;14.79,-17.4,;13.76,-18.55,;14.53,-19.88,;16.04,-19.55,)|
O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)C1NNC(=O)C=C1 |w:18.19,wU:4.3,7.7,c:25,(-3.75,-42.93,;-3.75,-44.47,;-2.41,-45.24,;-1.08,-44.46,;.26,-45.23,;1.59,-44.45,;2.91,-45.23,;2.91,-46.77,;4.25,-47.54,;5.58,-46.77,;6.91,-47.54,;6.91,-49.08,;8.24,-49.85,;9.57,-49.08,;9.57,-47.54,;8.24,-46.77,;1.59,-47.53,;.26,-46.77,;-5.08,-45.25,;-5.07,-46.79,;-6.41,-47.56,;-7.75,-46.79,;-9.08,-47.56,;-7.74,-45.25,;-6.42,-44.48,)|
O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cc[nH]c1 |wU:4.3,7.7,(-3.78,-5.13,;-3.78,-6.67,;-2.44,-7.44,;-1.11,-6.66,;.23,-7.43,;1.55,-6.65,;2.88,-7.43,;2.88,-8.97,;4.22,-9.74,;5.55,-8.97,;6.88,-9.74,;6.88,-11.28,;8.21,-12.05,;9.54,-11.28,;9.54,-9.74,;8.21,-8.97,;1.55,-9.73,;.23,-8.97,;-5.12,-7.44,;-6.52,-6.82,;-7.55,-7.97,;-6.78,-9.3,;-5.27,-8.97,)|
O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc(=O)[nH]n1 |wU:4.3,7.7,(-3.93,-34.59,;-3.93,-36.13,;-2.59,-36.89,;-1.26,-36.12,;.08,-36.89,;1.41,-36.11,;2.74,-36.89,;2.74,-38.43,;4.07,-39.2,;5.4,-38.43,;6.74,-39.2,;6.73,-40.74,;8.06,-41.51,;9.4,-40.74,;9.39,-39.19,;8.06,-38.43,;1.41,-39.19,;.08,-38.43,;-5.26,-36.9,;-6.59,-36.13,;-7.92,-36.9,;-7.92,-38.44,;-9.25,-39.22,;-6.57,-39.21,;-5.25,-38.43,)|
O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1 |wU:4.3,7.7,(-2.62,-24.66,;-2.61,-26.2,;-1.28,-26.97,;.06,-26.19,;1.39,-26.96,;2.72,-26.18,;4.05,-26.96,;4.05,-28.5,;5.38,-29.27,;6.72,-28.5,;8.05,-29.27,;8.04,-30.81,;9.37,-31.58,;10.71,-30.81,;10.71,-29.27,;9.38,-28.5,;2.72,-29.26,;1.39,-28.5,;-3.94,-26.97,;-3.93,-28.5,;-5.26,-29.28,;-6.6,-28.52,;-7.93,-29.3,;-9.27,-28.53,;-10.6,-29.31,;-9.28,-26.99,;-7.94,-26.22,;-6.61,-26.97,;-5.28,-26.2,)|
O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccn[nH]1 |wU:4.3,7.7,(-3.28,-24.38,;-3.28,-25.92,;-1.94,-26.69,;-.61,-25.91,;.72,-26.68,;2.05,-25.9,;3.38,-26.68,;3.38,-28.22,;4.71,-28.99,;6.05,-28.22,;7.38,-28.99,;7.37,-30.53,;8.7,-31.3,;10.04,-30.53,;10.04,-28.99,;8.71,-28.22,;2.05,-28.98,;.72,-28.22,;-4.62,-26.69,;-6.03,-26.07,;-7.05,-27.22,;-6.28,-28.55,;-4.77,-28.22,)|
O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(-4.35,-14.31,;-4.35,-15.85,;-3.01,-16.61,;-1.68,-15.84,;-.34,-16.61,;.99,-15.83,;2.32,-16.61,;2.32,-18.15,;3.65,-18.92,;4.98,-18.15,;6.32,-18.92,;6.31,-20.46,;7.64,-21.23,;8.98,-20.46,;8.97,-18.91,;7.64,-18.15,;.99,-18.91,;-.34,-18.15,;-5.68,-16.62,;-7.09,-16,;-8.12,-17.14,;-7.35,-18.47,;-5.84,-18.15,)|
O=C(NCc1ccccc1)N1CCC(CNc2ncccn2)CC1
O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(CC1)c1ccccc1
O=C(Nc1cccc(c1)C#N)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r|
O=C(Nc1ccccc1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r|
O=C(Nc1cccnc1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r|
O=C(OC1Cc2ccccc2C1)N1CCC(CNc2ncccn2)CC1
O=C(OCCc1ccccc1)N1CCC(CNc2ncccn2)CC1
O=C(OCc1ccc(cc1)C#C)N1CCC(CNc2ncccn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1
O=C(OCc1ccccc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1
O=C(OCc1ccccc1)N1CCOC(C1)c1nc2cncnc2[nH]1
O=c1[nH]c2ncc(cc2n1CC1CC1)-c1cccs1
O=c1[nH]c2ncc(cc2n1CC1CCN1)-c1ccccc1
O=c1[nH]c2ncc(cc2n1CCN1CCC1)-c1ccccc1
O=c1[nH]c2ncc(cc2n1CCN1CCCC1)-c1ccccc1
O=c1[nH]c2ncc(cc2n1Cc1ccccc1C#N)-c1cccc(c1)C#N
OC(=O)C=CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |w:4.4,c:8|
OC(=O)C=CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |w:3.2,c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cc(Cl)cc(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cc(F)cc(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)c(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)c(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)c(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)c(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(cc2)C(F)(F)F)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(c2)C(F)(F)F)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |r,c:8|
OC(=O)CCC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |r,c:8|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:9|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:9|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
OC(=O)CCCN1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:7|
OC(=O)Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F
OC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2CCCc12
OC(=O)c1cc2cc(Br)ccc2oc1=O
OC(=O)c1cc2cc(ccc2c(Br)c1O)-c1ccccc1
OC(=O)c1cc2cccc(O)c2cc1O
OC(C1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1)c1ccccc1
OC(CCN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1)c1ccc(O)cc1 |r|
OC(CN1CC2(C1)CC(O)(Cc1ccccc1)C2)c1ccc(O)cc1 |w:1.0|
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC(CN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1 |w:1.0|
OC(CN1CCC(O)(CC1)c1cccc(F)c1)c1ccc2NC(=O)CCc2c1 |w:1.0|
OC(CN1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cc1 |r,w:1.0,7.7|
OC(CN1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cn1 |r,w:1.0,7.7|
OC(CN1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)c1cccc(c1)C(F)(F)F |r,w:7.7,1.0|
OC(CN1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1)c1ccc(O)cc1 |r|
OC(CN1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1)c1cccc(c1)C(F)(F)F |r,w:1.0|
OC(CN1C[C@@H]2C[C@@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@@H]2C[C@@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@@H]2C[C@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@@H]2C[C@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl |r,w:1.0|
OC(CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccc(F)cc1)c1cccc(c1)C(F)(F)F |r,w:1.0|
OC(CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1)c1cccc(F)c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1)c1ccccc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1cccnc1F)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](F)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(CC3CC3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(CC3CCCCC3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(CC3CCCCC3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(CCc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3c(F)cccc3F)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(Cl)cc3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)c(F)c3)C[C@H]2C1)c1ccc(O)cc1 |r,w:0.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3F)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3F)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccc(cc3)C(F)(F)F)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3cccc(F)c3F)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1cc(F)c(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(=O)[nH]n1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1Cl |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)c(F)n1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)nc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc2NC(=O)CCc2c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc2NC(=O)Cc2c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc2[nH]nnc2c1 |r,w:0.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1cccc(c1)C(F)(F)F |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1cnc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1cnc(OCc2ccccc2)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ncc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3Cl)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3F)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3F)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccccn3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3cccs3)C[C@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3cccs3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3cccs3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0|
OC(CN1C[C@H]2C[C@](O)(Cc3ccncc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0|
OC(Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(F)(F)F)C1CC1
OC1(CCc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3cccc(F)c3)C[C@@H]2C1 |r|
OC1(CCc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3ccccc3)C[C@@H]2C1 |r|
OC1(CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1)C(F)(F)F
OC1CCN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
OC1CCN(CCn2c3cc(cnc3[nH]c2=O)-c2cc(F)cc(F)c2)C1
OC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
OC1CN(CCC1c1ccc(O)cc1)C1CCN(Cc2ccc(F)cc2)C1=O
OC1CN(CCCCc2ccc(OCCF)cc2)CCc2cc(O)ccc12
OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
OC1CN(CCn2c3cc(cnc3[nH]c2=O)-c2cccc(c2)C(F)(F)F)C1
OC1CNC(=NC1c1ccccc1)c1ccc(OC(F)(F)F)cc1 |c:4|
OC1c2cc(cnc2C=Cc2c(cccc12)C#N)N1CCCCC1 |c:9|
OC1c2cccc(C#N)c2C=Cc2ncc(cc12)-c1ccccc1 |c:11|
OCC1CN(C1)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
OCCNC(=O)Cn1ccc2ncc(cc12)-c1ccc(F)cc1
OCCNCCn1c2cc(cnc2[nH]c1=O)-c1cc(F)cc(F)c1
OCCc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
OCCc1nccn1Cc1cn(nn1)-c1ccc(cc1)S(F)(F)(F)(F)F
OCCc1nccn1Cc1cn(nn1)-c1cccc(c1)C1CC1
OCc1cc2CCC(CCc2s1)NCCCCc1ccccc1
OCc1cc2CCC(CCc2s1)NCCCc1ccccc1
OCc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
OCc1ccc2CCC(CCc2c1)NCCCc1ccccc1
OCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
O[C@@H](CN1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r|
O[C@@H](CN1C[C@H]2C[C@@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r|
O[C@@H](CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1)c1ccc(O)cn1 |r|
O[C@@H](CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)c(F)c1 |r|
O[C@@H](CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r|
O[C@@H](CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cn1 |r|
O[C@@H]1[C@@H](COc2cc(O)ccc12)N1CCC(O)(CC1)c1ccc(F)cc1
O[C@@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wU:18.20,wD:1.0,(13.05,-7.68,;13.82,-9.01,;12.28,-9.01,;11.51,-10.35,;12.28,-11.68,;9.97,-10.35,;9.2,-11.68,;9.98,-13.01,;9.21,-14.34,;7.67,-14.34,;6.64,-15.49,;5.22,-14.87,;3.89,-15.64,;5.38,-13.33,;6.89,-13.01,;7.67,-11.68,;13.82,-10.55,;15.15,-11.32,;16.48,-10.55,;17.81,-11.33,;19.15,-10.56,;20.48,-11.33,;21.81,-10.57,;21.81,-9.02,;23.15,-8.25,;20.47,-8.25,;19.14,-9.02,;16.48,-9.01,;15.15,-8.24,)|
O[C@@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wU:18.20,wD:1.0,(12.23,-7.56,;13,-8.9,;11.46,-8.9,;10.69,-10.23,;11.46,-11.57,;9.15,-10.23,;8.38,-11.57,;9.16,-12.89,;8.4,-14.22,;6.85,-14.23,;5.82,-15.38,;4.41,-14.75,;3.08,-15.53,;4.56,-13.22,;6.07,-12.89,;6.85,-11.56,;13,-10.44,;14.33,-11.2,;15.66,-10.44,;17,-11.21,;18.33,-10.44,;19.66,-11.22,;20.99,-10.45,;21,-8.91,;19.65,-8.14,;18.33,-8.91,;15.66,-8.9,;14.33,-8.12,)|
O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1c[nH]c2nc(=O)oc2c1 |wD:1.0,4.7,(16.47,-54.83,;16.48,-53.3,;16.48,-51.76,;17.81,-50.98,;19.14,-51.76,;19.14,-53.3,;17.81,-54.07,;20.48,-51,;21.81,-51.77,;21.81,-53.31,;23.16,-51.01,;24.48,-51.79,;25.81,-51.02,;27.13,-51.8,;28.47,-51.05,;28.49,-49.51,;27.17,-48.73,;25.83,-49.48,;15.14,-54.08,;15.16,-55.61,;13.83,-56.39,;12.47,-55.63,;11.01,-56.1,;10.1,-54.85,;8.55,-54.85,;11.01,-53.6,;12.48,-54.08,;13.81,-53.31,)|
O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1ccc2nc[nH]c2c1 |wD:1.0,4.7,(39.84,-12.54,;39.85,-11.01,;39.85,-9.47,;41.17,-8.69,;42.52,-9.47,;42.52,-11.01,;41.17,-11.78,;43.85,-8.7,;45.19,-9.47,;45.19,-11.01,;46.52,-8.7,;47.84,-9.49,;49.18,-8.73,;50.5,-9.51,;51.85,-8.76,;51.85,-7.21,;50.53,-6.44,;49.21,-7.19,;38.51,-11.78,;38.52,-13.33,;37.2,-14.11,;35.86,-13.36,;34.4,-13.86,;33.47,-12.62,;34.35,-11.35,;35.83,-11.81,;37.17,-11.02,)|
O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1cn[nH]c1 |wD:1.0,4.7,(16.71,-11.57,;16.72,-10.04,;16.72,-8.5,;18.05,-7.71,;19.38,-8.5,;19.38,-10.04,;18.05,-10.81,;20.72,-7.73,;22.05,-8.51,;22.05,-10.05,;23.39,-7.74,;24.72,-8.53,;26.05,-7.77,;27.38,-8.55,;28.72,-7.79,;28.73,-6.25,;27.4,-5.47,;26.07,-6.23,;15.39,-10.81,;13.92,-10.35,;13.02,-11.59,;13.93,-12.83,;15.39,-12.36,)|
O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1cnc[nH]1 |wD:1.0,4.7,(-5.23,-14.74,;-5.22,-13.21,;-5.22,-11.67,;-3.9,-10.88,;-2.57,-11.67,;-2.57,-13.21,;-3.9,-13.98,;-1.23,-10.9,;.1,-11.67,;.11,-13.22,;1.45,-10.91,;2.77,-11.69,;4.11,-10.93,;5.43,-11.72,;6.77,-10.96,;6.78,-9.42,;5.46,-8.64,;4.13,-9.39,;-6.56,-13.98,;-6.56,-15.52,;-8.02,-16,;-8.93,-14.76,;-8.03,-13.52,)|
O[C@@]1(C[C@@H]2CN(CC(=O)c3cccc(F)c3)C[C@@H]2C1)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(F)cc1)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(F)cc1F)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(Cl)c1)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C#N)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C#N)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccccc1)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccnc1)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccnc1)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)c1cccc(n1)C(F)(F)F)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)c1cccc(n1)C(F)(F)F)c1ccccc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)c1ccccn1)c1ccc(F)cc1 |r|
O[C@@]1(C[C@@H]2CN(C[C@@H]2C1)c1ccccn1)c1ccccc1 |r|
O[C@@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wU:17.19,wD:1.0,(15.69,-7.67,;16.46,-9,;14.92,-9,;14.15,-10.33,;12.62,-10.49,;12.3,-12,;13.63,-12.77,;14.77,-11.74,;10.89,-12.62,;9.65,-11.72,;8.25,-12.34,;8.08,-13.87,;6.67,-14.5,;9.34,-14.78,;10.74,-14.15,;16.46,-10.54,;17.79,-11.3,;19.12,-10.54,;20.45,-11.31,;21.78,-10.54,;23.11,-11.32,;24.45,-10.55,;24.45,-9.01,;25.78,-8.24,;23.11,-8.24,;21.78,-9.01,;19.12,-9,;17.79,-8.22,)|
O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wU:15.17,wD:1.0,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;15.96,-10.24,;17.29,-11,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;18.62,-8.7,;17.29,-7.92,)|
O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wU:15.17,1.1,(40.37,-25.74,;40.37,-27.28,;39.04,-26.5,;37.71,-27.27,;36.3,-26.63,;35.27,-27.77,;36.03,-29.11,;37.54,-28.8,;33.73,-27.77,;32.81,-26.51,;31.35,-26.98,;31.34,-28.53,;32.81,-29.01,;40.37,-28.82,;41.7,-29.6,;43.03,-28.84,;44.36,-29.61,;45.7,-28.84,;45.7,-27.29,;47.03,-26.52,;48.36,-27.29,;48.37,-28.84,;47.03,-29.61,;49.69,-26.51,;51.03,-27.28,;49.69,-24.97,;51.02,-25.73,;43.04,-27.29,;41.71,-26.52,)|
O[C@H](CN1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r|
O[C@H](CN1C[C@H]2C[C@@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r|
O[C@H](CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1)c1ccc(O)cn1 |r|
O[C@H](CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)c(F)c1 |r|
O[C@H](CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r|
O[C@H](CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cn1 |r|
O[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:1.0,12.16,(56.67,-24.62,;58,-25.4,;59.33,-24.64,;60.65,-25.41,;61.98,-24.63,;63.31,-25.39,;63.32,-26.95,;61.98,-27.72,;60.65,-26.95,;59.31,-27.71,;57.97,-28.47,;57.96,-30,;59.29,-30.78,;60.63,-30.02,;60.64,-28.48,;59.28,-32.32,;57.93,-33.07,;57.92,-34.61,;59.25,-35.4,;60.59,-34.64,;60.61,-33.09,;59.23,-36.93,;57.89,-37.69,;57.87,-39.22,;59.19,-40.01,;60.54,-39.26,;60.56,-37.71,;57.99,-26.93,)|
O[C@]1(CC(=O)Nc2ccc3NC(=O)CCc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,19.21,(14.58,-10.29,;15.35,-11.63,;13.81,-11.63,;13.04,-12.96,;13.81,-14.3,;11.5,-12.96,;10.73,-14.3,;11.51,-15.62,;10.75,-16.95,;9.2,-16.96,;8.43,-18.3,;6.89,-18.3,;6.12,-19.63,;6.11,-16.96,;6.89,-15.62,;8.42,-15.62,;9.2,-14.29,;16.68,-10.85,;18.01,-11.63,;18.01,-13.17,;19.34,-13.94,;20.68,-13.17,;22.01,-13.95,;23.34,-13.18,;23.35,-11.64,;22,-10.87,;20.68,-11.64,;16.68,-13.93,;15.35,-13.17,)|
O[C@]1(CC(=O)Nc2ccc3NC(=O)Cc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)|
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)|
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)c(F)c2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;21.45,-10.94,;21.45,-9.4,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)|
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,18.20,(13.05,-7.68,;13.82,-9.01,;12.28,-9.01,;11.51,-10.35,;12.28,-11.68,;9.97,-10.35,;9.2,-11.68,;9.98,-13.01,;9.21,-14.34,;7.67,-14.34,;6.64,-15.49,;5.22,-14.87,;3.89,-15.64,;5.38,-13.33,;6.89,-13.01,;7.67,-11.68,;15.15,-8.24,;16.48,-9.01,;16.48,-10.55,;17.81,-11.33,;19.15,-10.56,;20.48,-11.33,;21.81,-10.57,;21.81,-9.02,;23.15,-8.25,;20.47,-8.25,;19.14,-9.02,;15.15,-11.32,;13.82,-10.55,)|
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;25.46,-11.71,;26.79,-10.94,;25.46,-13.25,;26.79,-12.48,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)|
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;21.45,-10.94,;20.12,-11.71,;24.13,-10.94,;25.46,-11.71,;24.13,-9.4,;25.46,-10.16,;16.13,-14,;14.8,-13.24,)|
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,18.20,(12.23,-7.56,;13,-8.9,;11.46,-8.9,;10.69,-10.23,;11.46,-11.57,;9.15,-10.23,;8.38,-11.57,;9.16,-12.89,;8.4,-14.22,;6.85,-14.23,;5.82,-15.38,;4.41,-14.75,;3.08,-15.53,;4.56,-13.22,;6.07,-12.89,;6.85,-11.56,;14.33,-8.12,;15.66,-8.9,;15.66,-10.44,;17,-11.21,;18.33,-10.44,;19.66,-11.22,;20.99,-10.45,;21,-8.91,;19.65,-8.14,;18.33,-8.91,;14.33,-11.2,;13,-10.44,)|
O[C@]1(CC(=O)Nc2ccc3[nH]ncc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,17.19,(14.88,-11.63,;15.65,-12.97,;14.11,-12.97,;13.34,-14.3,;14.11,-15.63,;11.8,-14.3,;11.03,-15.63,;11.81,-16.96,;11.04,-18.29,;9.49,-18.3,;8.46,-19.45,;7.05,-18.82,;7.21,-17.28,;8.72,-16.96,;9.49,-15.63,;16.98,-12.19,;18.31,-12.97,;18.31,-14.51,;19.64,-15.28,;20.97,-14.51,;22.3,-15.28,;23.64,-14.52,;23.64,-12.97,;22.3,-12.2,;20.97,-12.97,;16.98,-15.27,;15.65,-14.51,)|
O[C@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,17.19,(15.69,-7.67,;16.46,-9,;14.92,-9,;14.15,-10.33,;12.62,-10.49,;12.3,-12,;13.63,-12.77,;14.77,-11.74,;10.89,-12.62,;9.65,-11.72,;8.25,-12.34,;8.08,-13.87,;6.67,-14.5,;9.34,-14.78,;10.74,-14.15,;17.79,-8.22,;19.12,-9,;19.12,-10.54,;20.45,-11.31,;21.78,-10.54,;23.11,-11.32,;24.45,-10.55,;24.45,-9.01,;25.78,-8.24,;23.11,-8.24,;21.78,-9.01,;17.79,-11.3,;16.46,-10.54,)|
O[C@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,17.19,(15.39,-6.27,;16.16,-7.61,;14.62,-7.61,;13.85,-8.94,;12.32,-9.1,;12,-10.6,;13.33,-11.37,;14.48,-10.34,;10.59,-11.23,;9.35,-10.32,;7.95,-10.95,;7.79,-12.48,;6.38,-13.11,;9.04,-13.39,;10.44,-12.76,;17.49,-6.83,;18.82,-7.61,;18.82,-9.15,;20.15,-9.92,;21.49,-9.15,;22.82,-9.92,;24.15,-9.16,;24.16,-7.62,;22.81,-6.84,;21.48,-7.62,;17.49,-9.91,;16.16,-9.15,)|
O[C@]1(Cc2cc(on2)-c2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,20.23,(15.39,-6.27,;16.16,-7.61,;14.62,-7.61,;13.85,-8.94,;12.32,-9.1,;12,-10.6,;13.33,-11.37,;14.48,-10.34,;10.59,-11.23,;10.44,-12.76,;9.04,-13.39,;7.79,-12.48,;6.28,-12.8,;5.51,-11.46,;3.98,-11.29,;6.54,-10.32,;7.95,-10.95,;9.35,-10.32,;17.49,-6.83,;18.82,-7.61,;18.82,-9.15,;20.15,-9.92,;21.49,-9.15,;22.82,-9.92,;24.15,-9.16,;24.16,-7.62,;25.49,-6.85,;22.81,-6.84,;21.48,-7.62,;17.49,-9.91,;16.16,-9.15,)|
O[C@]1(Cc2cc(on2)-c2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,20.23,(15.39,-6.27,;16.16,-7.61,;14.62,-7.61,;13.85,-8.94,;12.32,-9.1,;12,-10.6,;13.33,-11.37,;14.48,-10.34,;10.59,-11.23,;10.44,-12.76,;9.04,-13.39,;7.79,-12.48,;6.28,-12.8,;5.51,-11.46,;3.98,-11.29,;6.54,-10.32,;7.95,-10.95,;9.35,-10.32,;17.49,-6.83,;18.82,-7.61,;18.82,-9.15,;20.15,-9.92,;21.49,-9.15,;22.82,-9.92,;24.15,-9.16,;24.16,-7.62,;22.81,-6.84,;21.48,-7.62,;17.49,-9.91,;16.16,-9.15,)|
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)|
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)c(F)c2)CC1 |r,wD:1.0,15.17,(13.85,-7.13,;14.62,-8.46,;13.08,-8.46,;12.31,-9.8,;10.78,-9.95,;10.46,-11.46,;11.79,-12.23,;12.94,-11.2,;9.05,-12.09,;7.72,-11.32,;6.57,-12.35,;7.2,-13.76,;8.73,-13.6,;15.95,-7.68,;17.28,-8.46,;17.28,-10,;18.61,-10.77,;19.95,-10.01,;21.28,-10.78,;22.61,-10.01,;22.61,-8.47,;23.95,-7.7,;21.27,-7.7,;21.27,-6.16,;19.94,-8.47,;15.95,-10.76,;14.62,-10,)|
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)|
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;26.62,-8.7,;27.95,-7.94,;26.62,-10.24,;27.95,-9.47,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)|
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;22.61,-7.93,;21.28,-8.7,;25.29,-7.93,;26.62,-8.7,;25.29,-6.39,;26.62,-7.16,;17.29,-11,;15.96,-10.24,)|
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.59,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(=O)[nH]n3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(Cl)nc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3ccc(F)cc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3cccc(F)c3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3ccccc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3ccccn3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc(cc3)-c3cccnc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc4NC(=O)CCc4c3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc4NC(=O)Cc4c3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3ccc4[nH]nnc4c3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3cccc(c3)-c3ccc(F)cc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3cccc(c3)-c3cccc(F)c3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3cccc(c3)-c3ccccc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3cccc(c3)-c3cccnc3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(CC(=O)c3cnc(OCc4ccccc4)cn3)C[C@@H]2C1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(Cl)c1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1cccc(c1)[N+]#[C-] |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccccc1 |r|
O[C@]1(Cc2ccccc2)C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1ccccc1C(F)(F)F |r|
O[C@]1(Cc2noc(n2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,17.19,(13.85,-7.13,;14.62,-8.46,;13.08,-8.46,;12.31,-9.8,;12.94,-11.2,;11.79,-12.23,;10.46,-11.46,;10.78,-9.95,;9.05,-12.09,;7.81,-11.18,;6.41,-11.8,;6.24,-13.33,;4.83,-13.95,;7.49,-14.24,;8.9,-13.62,;15.95,-7.68,;17.28,-8.46,;17.28,-10,;18.61,-10.77,;19.95,-10.01,;21.28,-10.78,;22.61,-10.01,;22.61,-8.47,;23.95,-7.7,;21.27,-7.7,;19.94,-8.47,;15.95,-10.76,;14.62,-10,)|
Oc1c(F)cc(cc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1c(F)cc(cc1F)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:13.13,16.17,(13.63,-21.21,;14.96,-20.43,;14.96,-18.89,;13.62,-18.13,;16.29,-18.12,;17.63,-18.89,;17.63,-20.42,;16.31,-21.2,;16.32,-22.74,;18.96,-18.12,;18.95,-16.58,;20.29,-18.88,;21.62,-18.11,;22.96,-18.88,;22.96,-20.42,;24.29,-21.18,;25.62,-20.42,;26.95,-21.19,;28.29,-20.42,;29.62,-21.19,;30.95,-20.42,;32.29,-21.2,;33.62,-20.43,;33.62,-18.89,;32.28,-18.12,;30.95,-18.89,;25.62,-18.88,;24.29,-18.1,)|
Oc1c(F)cc(cc1F)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:13.13,16.17,(-9.57,-19.5,;-8.24,-18.72,;-8.24,-17.18,;-9.58,-16.42,;-6.91,-16.41,;-5.57,-17.18,;-5.57,-18.71,;-6.89,-19.49,;-6.88,-21.03,;-4.24,-16.41,;-4.25,-14.87,;-2.91,-17.17,;-1.58,-16.4,;-.24,-17.17,;1.09,-16.39,;2.42,-17.17,;2.42,-18.71,;3.75,-19.48,;5.08,-18.71,;6.42,-19.48,;6.41,-21.02,;7.74,-21.79,;9.08,-21.02,;9.07,-19.47,;7.74,-18.71,;1.09,-19.47,;-.24,-18.71,)|
Oc1cc(O)c2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cc(O)c2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2cc1O
Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2cc1O
Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Oc1cc2nc([nH]c2cc1O)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc(CC(=O)CN2C[C@H]3C[C@](O)(Cc4ccccc4)C[C@H]3C2)cc1 |r|
Oc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Oc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Oc1ccc(CN2CC[C@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Oc1ccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2)cc1 |r|
Oc1ccc(O)c2[nH]c(nc12)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1
Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Oc1ccc(cc1)-c1cc2CCC(CCc2s1)NCCCc1ccccc1
Oc1ccc(cc1)-c1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)-c1cccc(c1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Oc1ccc(cc1)C(=O)CCN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r|
Oc1ccc(cc1)C(=O)CCN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1CC2(C1)CC(O)(Cc1ccccc1)C2
Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)[N+]([O-])=O)CC1
Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccccc2)CC1
Oc1ccc(cc1)C(=O)CN1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1 |r,w:14.15|
Oc1ccc(cc1)C(=O)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@@H]2C[C@@H](Cc3ccccc3)C[C@@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@@H]2C[C@H](CCc3ccccc3)C[C@@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@@H]2C[C@H](Cc3ccccc3)C[C@@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@@](F)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1ccccc1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](F)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(CC3CC3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(CC3CCCCC3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(CCc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3c(F)cccc3F)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)c(F)c3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3F)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(cc3)C(F)(F)F)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3cccc(F)c3F)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3F)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccn3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccncc3)C[C@H]2C1 |r|
Oc1ccc(cc1)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:11.11,14.15,(12.9,-11.25,;14.23,-10.47,;14.23,-8.93,;15.56,-8.16,;16.89,-8.93,;16.9,-10.46,;15.58,-11.24,;18.23,-8.16,;18.22,-6.62,;19.56,-8.92,;20.89,-8.15,;22.23,-8.91,;22.23,-10.45,;23.56,-11.22,;24.89,-10.45,;26.22,-11.23,;27.55,-10.46,;28.89,-11.23,;30.22,-10.46,;31.55,-11.24,;32.89,-10.47,;32.89,-8.93,;31.55,-8.16,;30.22,-8.93,;24.89,-8.91,;23.56,-8.14,)|
Oc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:11.11,14.15,(-9.26,-9.14,;-7.93,-8.36,;-7.94,-6.82,;-6.61,-6.05,;-5.27,-6.82,;-5.26,-8.35,;-6.59,-9.13,;-3.94,-6.05,;-3.95,-4.51,;-2.61,-6.81,;-1.27,-6.04,;.06,-6.81,;1.39,-6.03,;2.72,-6.81,;2.72,-8.35,;4.05,-9.12,;5.39,-8.35,;6.72,-9.12,;6.71,-10.66,;8.04,-11.43,;9.38,-10.66,;9.38,-9.11,;8.05,-8.35,;1.39,-9.11,;.06,-8.35,)|
Oc1ccc(cc1)C(=O)NCc1cccc(OCCc2ccccc2)c1
Oc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1
Oc1ccc(cc1)C1CCCCN(C1)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CCCN(C1)C1CCCN(Cc2ccc(Cl)cc2)C1=O
Oc1ccc(cc1)C1CCCN(C1)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CCCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)c(Cl)c2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)c(F)c2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccccc2)C1=O
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1(F)F)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)C1CCCN(Cc2ccccc2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(C2CCc3ccccc23)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)c(F)c2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)cc2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)c(F)c2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
Oc1ccc(cc1)C1CCN(CC1)C1CON(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)C1CCN(C[C@H]1F)C1CCON(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)C1CN(C1)C1CCN(Cc2ccc(F)c(F)c2)C1=O
Oc1ccc(cc1)C1CN(C1)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)C1CN(C1)C1CCN(Cc2ccccc2)C1=O
Oc1ccc(cc1)N1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1)[C@@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(F)c(Cl)c2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCON(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)C1CCON(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(10.84,-24.52,;12.17,-23.76,;12.17,-22.2,;13.49,-21.43,;14.83,-22.2,;14.84,-23.74,;13.52,-24.52,;16.17,-21.43,;16.15,-22.96,;16.17,-19.89,;17.49,-19.1,;18.83,-19.89,;18.83,-21.43,;17.49,-22.2,;20.17,-19.12,;21.5,-19.89,;21.5,-21.44,;22.85,-19.13,;24.17,-19.91,;25.51,-19.15,;26.82,-19.93,;28.17,-19.18,;28.17,-17.63,;26.86,-16.86,;25.52,-17.61,)|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(F)c(Cl)c2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)C1CCN(Cc2ccc(OC(F)F)cc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)C1Cc2ccccc2CN1 |w:16.17,wU:7.7,wD:10.14,(35.06,-11.3,;36.39,-10.54,;36.39,-8.98,;37.71,-8.22,;39.05,-8.99,;39.06,-10.52,;37.74,-11.3,;40.39,-8.21,;40.39,-6.67,;41.71,-5.88,;43.05,-6.67,;43.05,-8.21,;41.71,-8.98,;44.39,-5.9,;45.72,-6.67,;45.72,-8.22,;47.07,-5.91,;48.39,-6.69,;49.73,-5.93,;51.05,-6.71,;52.39,-5.96,;52.4,-4.41,;51.08,-3.64,;49.74,-4.39,;48.41,-3.61,;47.07,-4.37,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:7.7,wD:10.14,(-10.14,-2.71,;-8.81,-1.94,;-8.81,-.39,;-7.49,.38,;-6.15,-.39,;-6.14,-1.92,;-7.46,-2.7,;-4.81,.38,;-4.81,1.92,;-3.49,2.71,;-2.14,1.92,;-2.14,.38,;-3.49,-.39,;-.81,2.69,;.52,1.92,;.52,.38,;1.87,2.68,;3.19,1.9,;4.54,2.66,;5.86,1.89,;7.19,2.65,;7.21,4.19,;5.87,4.97,;4.54,4.2,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1 |wU:7.7,wD:10.14,(30.49,-.92,;31.82,-.15,;31.82,1.4,;33.14,2.17,;34.48,1.4,;34.49,-.14,;33.17,-.92,;35.82,2.17,;35.82,3.71,;37.14,4.5,;38.48,3.71,;38.48,2.17,;37.14,1.4,;39.82,4.48,;41.15,3.71,;41.15,2.16,;42.5,4.47,;43.82,3.69,;45.16,4.45,;45.17,5.99,;46.5,6.75,;47.83,5.97,;47.82,4.43,;46.48,3.67,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cccnc1 |wU:7.7,wD:10.14,(10.18,-1.13,;11.51,-.36,;11.51,1.19,;12.83,1.96,;14.17,1.19,;14.18,-.34,;12.86,-1.12,;15.51,1.97,;15.51,3.51,;16.83,4.29,;18.17,3.51,;18.17,1.97,;16.83,1.2,;19.51,4.27,;20.84,3.51,;20.84,1.96,;22.18,4.27,;23.51,3.49,;24.85,4.25,;24.85,5.79,;26.18,6.55,;27.52,5.77,;27.51,4.23,;26.17,3.47,)|
Oc1ccc(cc1F)C(=O)CN1C[C@@H]2C[C@@H](Cc3ccccc3)C[C@@H]2C1 |r|
Oc1ccc(cc1F)C(=O)CN1C[C@@H]2C[C@H](Cc3ccccc3)C[C@@H]2C1 |r|
Oc1ccc(cc1F)C(=O)CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1 |r|
Oc1ccc(cc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3cccs3)C[C@H]2C1 |r|
Oc1ccc(cc1F)C(=O)COc1ccc(cc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1 |r|
Oc1ccc(cc1F)C(=O)COc1ccc(cc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(cc1F)C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
Oc1ccc(cc1F)C1CCN(CC1F)C1CCON(Cc2ccc(Cl)cc2)C1=O
Oc1ccc(cc1F)C1CCN(CC1F)C1CCON(Cc2ccc(F)cc2)C1=O
Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(12.39,-46.09,;13.72,-45.33,;15.07,-46.09,;16.39,-45.31,;16.38,-43.78,;15.04,-43.01,;13.72,-43.77,;12.38,-43,;17.72,-43,;17.71,-44.53,;17.72,-41.46,;19.04,-40.67,;20.38,-41.46,;20.38,-43,;19.04,-43.77,;21.72,-40.69,;23.05,-41.46,;23.05,-43.01,;24.4,-40.7,;25.72,-41.49,;27.06,-40.72,;28.37,-41.5,;29.72,-40.75,;29.73,-39.2,;28.41,-38.43,;27.07,-39.19,)|
Oc1ccc(cc1F)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(31.75,-43.6,;33.08,-42.83,;34.43,-43.59,;35.75,-42.81,;35.74,-41.28,;34.4,-40.51,;33.08,-41.28,;31.74,-40.51,;37.08,-40.5,;37.08,-38.96,;38.4,-38.18,;39.74,-38.96,;39.74,-40.5,;38.4,-41.27,;41.08,-38.2,;42.41,-38.97,;42.41,-40.51,;43.76,-38.21,;45.08,-38.99,;46.42,-38.23,;47.74,-39,;49.08,-38.25,;49.09,-36.7,;47.77,-35.93,;46.43,-36.69,)|
Oc1ccc(cn1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@@](O)(C[C@H]2C1)c1cccnc1F |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(CC3CC3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(CC3CCCCC3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3c(F)cccc3F)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(Cl)cc3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)c(F)c3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3F)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccc(cc3)C(F)(F)F)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3cccc(F)c3F)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3Cl)C[C@H]2C1 |r|
Oc1ccc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3F)C[C@H]2C1 |r|
Oc1ccc(nc1)C1CCN(CC1)C1CON(Cc2ccc(F)cc2)C1=O
Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(-10.78,-55,;-9.45,-54.23,;-9.45,-52.68,;-8.13,-51.91,;-6.79,-52.68,;-6.78,-54.21,;-8.1,-54.99,;-5.45,-51.91,;-5.46,-53.44,;-5.45,-50.37,;-4.13,-49.58,;-2.79,-50.37,;-2.79,-51.91,;-4.13,-52.68,;-1.45,-49.6,;-.12,-50.37,;-.12,-51.91,;1.23,-49.61,;2.55,-50.39,;3.89,-49.63,;5.21,-50.4,;6.55,-49.65,;6.56,-48.11,;5.24,-47.33,;3.9,-48.09,)|
Oc1ccc(nc1F)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
Oc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Oc1ccc2C[C@@H](COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
Oc1ccc2[nH]cc(C(=O)CN3CCC(CC3)NC(=O)c3ccc(O)c(O)c3)c2c1
Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2c1
Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Oc1ccc2cc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Oc1ccc2cc([nH]c2c1)C(=N)N1CCC(Cc2ccccc2)CC1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)Nc1ccccc1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)OCc1ccccc1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccccc1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CCc2ccccc2)CC1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(COc2ccccc2)CC1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2cc([nH]c2c1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2cc(oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2nc(CN3CCC(CC3)Oc3ccc(I)cc3)[nH]c2c1
Oc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1
Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Oc1ccc2nc(Cc3ccccc3)[nH]c2c1CN1CCCC1
Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2nc([nH]c2c1CN1CCC(CC1)c1ccccc1)-c1ccccc1
Oc1ccc2nc([nH]c2c1CN1CCCC1)-c1cccc(F)c1F
Oc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1
Oc1ccc2nc([nH]c2c1CN1CCCCC1)-c1ccccc1
Oc1ccc2nc([nH]c2c1CN1CCCCCC1)-c1ccccc1
Oc1ccc2nc([nH]c2c1CN1CCOCC1)-c1ccccc1
Oc1ccc2nc([nH]c2c1CNC1CCCC1)-c1ccccc1
Oc1ccc2nc([nH]c2c1CNCc1ccco1)-c1cccc(F)c1F
Oc1ccc2nc([nH]c2c1CNCc1cccs1)-c1cccc(F)c1F
Oc1ccc2nc(sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2nc[nH]c2c1CN1CCCCC1
Oc1ccc2oc(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2sc(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cccc2[nH]c(nc12)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12
Oc1cccc2c(c[nH]c12)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cccc2c(c[nH]c12)C(=O)CN1CCC(Cc2ccccc2)CC1
Oc1cccc2cc([nH]c12)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1cnc(cn1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Oc1cnc(nc1)C(=O)CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1 |r|
Sc1nnc2n1c1ccccc1[nH]c2=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](-[#8])=O |r|
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O |r|
[O-][N+](=O)c1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCCc1ccccc1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCc1ccccc1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCc1ccccc1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCc1ccccc1
[O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1
[O-][N+](=O)c1ccc2nc(SCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1