Compound Name

SMILES String

CC(=O)Nc1ccc2nc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)sc2c1

CC(N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1

CC(N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1

CC(N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ccccn1

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1cccnc1

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ncccc1F

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-n1cccn1

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)C(=O)OC

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1ccn(C)c(=O)c1)-c1ncccc1F

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cncnc1)-n1cccn1

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-c1ccccn1

CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-n1cccn1

CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1

CCNC(=O)Nc1nc2cc(c(C)cc2[nH]1)-c1cccnc1

CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r|

CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP(O)(O)=O |r|

CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-c1cccnc1

CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1

CCNC(=O)Nc1nc2cc(c(OC)cc2[nH]1)-c1cccnc1

CCNC(=O)Nc1nc2cc(c(OC)cc2[nH]1)-c1cnc(OC)nc1

CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O

CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O

CCNC(=O)Nc1nc2cc(cc(C(=O)NC)c2[nH]1)-c1cccnc1

CCNC(=O)Nc1nc2cc(cc(OCc3ccccc3)c2[nH]1)-c1cccnc1

CCNC(=O)Nc1nc2cc(ccc2[nH]1)-c1cncnc1

CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1

CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1cccnc1

CCOC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|

CCOC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|

CCOC(=O)Nc1nc2ccc(C=Cc3ccc(O)cc3)cc2[nH]1 |w:12.11|

COc1cc(F)c2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|

COc1ccc(cc1)C(=O)N[C@H]1CO[C@H](CCc2ccnc3ccc(OC)cc23)OC1 |r,wU:14.15,wD:11.11,(22.79,-21.93,;21.47,-22.71,;20.14,-21.95,;18.8,-22.72,;17.47,-21.95,;17.47,-20.41,;18.79,-19.64,;20.13,-20.4,;16.14,-19.65,;16.14,-18.11,;14.8,-20.42,;13.47,-19.65,;13.47,-18.11,;12.13,-17.33,;10.81,-18.12,;9.47,-17.35,;8.14,-18.13,;8.14,-19.67,;9.48,-20.43,;9.49,-21.98,;8.15,-22.76,;6.81,-21.98,;5.48,-22.75,;4.16,-21.98,;4.15,-20.44,;2.82,-19.67,;2.81,-18.14,;5.48,-19.67,;6.81,-20.44,;10.81,-19.66,;12.14,-20.42,)|

COc1ccc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2ncc(=O)n(CC(O)[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:14.13,wD:17.20,(54.83,-29.87,;54.83,-31.4,;56.16,-32.17,;56.16,-33.72,;57.5,-34.49,;58.83,-33.71,;60.17,-34.48,;61.49,-33.7,;61.49,-32.15,;62.82,-31.38,;60.15,-31.39,;60.15,-29.85,;61.47,-29.08,;62.82,-29.85,;61.47,-27.54,;60.13,-26.78,;60.13,-25.24,;61.47,-24.46,;62.8,-25.23,;62.8,-26.77,;61.47,-22.92,;62.8,-22.15,;64.13,-22.92,;65.45,-22.14,;66.78,-22.9,;68.11,-22.12,;69.47,-22.89,;69.47,-24.44,;68.13,-25.21,;66.78,-24.45,;65.46,-25.22,;64.13,-24.45,;58.83,-32.17,;57.49,-31.4,)|

COc1ccc2ncc(=O)n(CC(O)[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:14.13,wD:17.20,(36.35,-29.99,;36.35,-31.53,;37.68,-32.3,;37.68,-33.85,;39.01,-34.62,;40.34,-33.84,;41.68,-34.6,;43.01,-33.83,;43.01,-32.28,;44.34,-31.5,;41.67,-31.52,;41.67,-29.98,;42.98,-29.2,;44.33,-29.97,;42.98,-27.66,;41.65,-26.91,;41.65,-25.36,;42.98,-24.59,;44.32,-25.36,;44.32,-26.89,;42.98,-23.05,;44.31,-22.28,;45.65,-23.04,;45.65,-24.58,;46.98,-25.35,;48.3,-24.58,;49.64,-25.34,;50.98,-24.56,;50.98,-23.02,;49.63,-22.25,;48.3,-23.03,;46.97,-22.27,;40.34,-32.29,;39.01,-31.53,)|

COc1ccc2ncc(F)c(C#CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2c1 |r,wU:14.13,wD:17.20,(57.79,-33.63,;57.79,-35.17,;59.13,-35.94,;59.13,-37.49,;60.46,-38.26,;61.79,-37.48,;63.13,-38.25,;64.45,-37.47,;64.45,-35.92,;65.78,-35.14,;63.12,-35.16,;63.12,-33.62,;61.77,-32.86,;64.43,-32.85,;64.43,-31.31,;63.1,-30.55,;63.1,-29.01,;64.43,-28.23,;65.77,-29,;65.77,-30.53,;64.43,-26.69,;65.76,-25.92,;67.09,-26.69,;68.42,-25.91,;69.75,-26.67,;71.09,-25.89,;72.43,-26.67,;72.43,-28.22,;71.09,-28.99,;69.75,-28.22,;68.42,-28.99,;67.09,-28.22,;61.79,-35.94,;60.46,-35.17,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:14.13,wD:17.20,(36.93,-10.75,;36.93,-12.29,;38.26,-13.06,;38.26,-14.6,;39.6,-15.37,;40.93,-14.6,;42.27,-15.36,;43.59,-14.59,;43.59,-13.04,;44.92,-12.26,;42.25,-12.28,;42.25,-10.74,;40.91,-9.98,;43.57,-9.96,;43.57,-8.42,;42.23,-7.67,;42.23,-6.12,;43.57,-5.35,;44.9,-6.12,;44.9,-7.65,;43.57,-3.81,;44.9,-3.04,;46.23,-3.8,;47.55,-3.02,;48.88,-3.79,;50.21,-3,;51.57,-3.77,;51.57,-5.32,;50.23,-6.1,;48.88,-5.34,;47.56,-6.11,;46.23,-5.34,;40.93,-13.05,;39.59,-12.29,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3cc4SCCOc4nn3)c2c1 |r,wU:14.13,wD:17.20,(3.78,-54.52,;3.78,-56.06,;5.12,-56.83,;5.12,-58.37,;6.45,-59.14,;7.78,-58.36,;9.12,-59.13,;10.44,-58.36,;10.44,-56.81,;11.77,-56.03,;9.11,-56.05,;9.11,-54.51,;7.76,-53.74,;10.42,-53.73,;10.42,-52.19,;9.08,-51.43,;9.08,-49.89,;10.42,-49.11,;11.76,-49.88,;11.76,-51.42,;10.42,-47.57,;11.75,-46.8,;13.08,-47.57,;14.41,-46.79,;15.74,-47.55,;17.07,-46.77,;18.42,-47.55,;18.42,-49.1,;17.08,-49.87,;15.74,-49.1,;14.41,-49.87,;13.08,-49.1,;7.78,-56.82,;6.44,-56.06,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r,wU:14.13,wD:17.20,(55.94,-10.75,;55.94,-12.29,;57.27,-13.06,;57.27,-14.6,;58.6,-15.37,;59.94,-14.6,;61.27,-15.36,;62.6,-14.59,;62.6,-13.04,;63.93,-12.26,;61.26,-12.28,;61.26,-10.74,;59.92,-9.98,;62.58,-9.96,;62.58,-8.42,;61.24,-7.67,;61.24,-6.12,;62.57,-5.35,;63.91,-6.12,;63.91,-7.65,;62.57,-3.81,;63.9,-3.03,;65.24,-3.8,;66.56,-3.02,;67.89,-3.79,;69.22,-3,;70.57,-3.77,;70.57,-5.32,;69.24,-6.1,;67.89,-5.34,;66.57,-6.11,;65.24,-5.34,;59.94,-13.05,;58.6,-12.29,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc(C)cc3)c2c1 |r,wU:14.13,wD:17.20,(4.55,-10.22,;4.55,-11.76,;5.89,-12.53,;5.89,-14.08,;7.22,-14.85,;8.55,-14.07,;9.89,-14.84,;11.21,-14.06,;11.21,-12.51,;12.54,-11.73,;9.88,-11.75,;9.88,-10.21,;8.53,-9.45,;11.19,-9.43,;11.19,-7.89,;9.85,-7.14,;9.85,-5.59,;11.19,-4.82,;12.53,-5.59,;12.53,-7.12,;11.19,-3.28,;12.52,-2.51,;13.85,-3.27,;13.85,-4.81,;15.18,-5.58,;16.51,-4.81,;17.85,-5.57,;16.51,-3.26,;15.18,-2.5,;8.55,-12.52,;7.21,-11.76,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2c1 |r,wU:14.13,wD:17.20,(59.06,-54.96,;59.06,-56.5,;60.39,-57.27,;60.39,-58.81,;61.72,-59.58,;63.06,-58.8,;64.39,-59.57,;65.72,-58.8,;65.72,-57.25,;67.05,-56.47,;64.38,-56.49,;64.38,-54.95,;63.04,-54.18,;65.7,-54.17,;65.7,-52.63,;64.36,-51.88,;64.36,-50.33,;65.7,-49.55,;67.04,-50.33,;67.04,-51.86,;65.7,-48.01,;67.03,-47.24,;68.36,-48.01,;68.36,-49.54,;69.7,-50.31,;71.02,-49.54,;72.36,-50.31,;71.02,-47.99,;72.35,-47.22,;69.69,-47.23,;63.06,-57.26,;61.72,-56.5,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2n1 |r,wU:14.13,wD:17.20,(20.71,-30.05,;20.71,-31.59,;22.04,-32.36,;22.04,-33.9,;23.37,-34.67,;24.7,-33.89,;26.04,-34.66,;27.37,-33.88,;27.37,-32.34,;28.69,-31.56,;26.03,-31.58,;26.03,-30.04,;24.68,-29.27,;27.34,-29.26,;27.34,-27.72,;26.01,-26.96,;26.01,-25.42,;27.34,-24.64,;28.68,-25.41,;28.68,-26.95,;27.34,-23.1,;28.67,-22.33,;30.01,-23.1,;30.01,-24.63,;31.34,-25.4,;32.66,-24.63,;34,-25.4,;32.66,-23.08,;33.99,-22.31,;31.33,-22.32,;24.7,-32.35,;23.37,-31.58,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:14.13,wD:17.20,(20.36,-55.56,;20.36,-57.1,;21.69,-57.87,;21.69,-59.42,;23.02,-60.19,;24.35,-59.41,;25.69,-60.18,;27.02,-59.4,;27.02,-57.85,;28.34,-57.08,;25.68,-57.09,;25.68,-55.55,;24.33,-54.79,;26.99,-54.78,;26.99,-53.24,;25.66,-52.48,;25.66,-50.94,;26.99,-50.16,;28.33,-50.93,;28.33,-52.47,;26.99,-48.62,;28.32,-47.85,;29.66,-48.62,;29.66,-50.15,;30.99,-50.92,;32.31,-50.15,;33.65,-50.92,;34.99,-50.15,;34.99,-48.6,;36.33,-47.83,;33.65,-47.82,;32.31,-48.6,;30.98,-47.84,;24.35,-57.87,;23.02,-57.1,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:14.13,wD:17.20,(37.79,-32.58,;37.79,-34.12,;39.12,-34.89,;39.12,-36.43,;40.45,-37.21,;41.78,-36.43,;43.12,-37.19,;44.45,-36.42,;44.45,-34.87,;45.77,-34.09,;43.11,-34.11,;43.11,-32.57,;41.76,-31.81,;44.42,-31.79,;44.42,-30.25,;43.09,-29.5,;43.09,-27.95,;44.42,-27.18,;45.76,-27.95,;45.76,-29.48,;44.42,-25.64,;45.75,-24.87,;47.09,-25.63,;47.09,-27.17,;48.42,-27.94,;49.74,-27.17,;51.08,-27.94,;52.42,-27.16,;52.42,-25.61,;51.08,-24.84,;49.74,-25.62,;48.41,-24.86,;41.78,-34.88,;40.45,-34.12,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2n1 |r,wU:14.13,wD:17.20,(21.94,-10.58,;21.94,-12.12,;23.28,-12.89,;23.28,-14.43,;24.61,-15.2,;25.94,-14.42,;27.28,-15.19,;28.6,-14.42,;28.6,-12.87,;29.93,-12.09,;27.27,-12.11,;27.27,-10.57,;25.92,-9.81,;28.58,-9.79,;28.58,-8.25,;27.25,-7.5,;27.25,-5.95,;28.58,-5.18,;29.92,-5.95,;29.92,-7.48,;28.58,-3.64,;29.91,-2.86,;31.24,-3.63,;31.24,-5.17,;32.58,-5.93,;33.9,-5.16,;35.24,-5.93,;36.58,-5.15,;36.58,-3.6,;35.23,-2.83,;33.9,-3.62,;32.57,-2.85,;25.94,-12.88,;24.61,-12.12,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:14.13,wD:17.20,(39.2,-55.22,;39.2,-56.76,;40.53,-57.53,;40.53,-59.08,;41.86,-59.85,;43.19,-59.07,;44.53,-59.84,;45.86,-59.06,;45.86,-57.51,;47.18,-56.74,;44.52,-56.75,;44.52,-55.21,;43.17,-54.45,;45.83,-54.44,;45.83,-52.9,;44.5,-52.14,;44.5,-50.6,;45.83,-49.82,;47.17,-50.59,;47.17,-52.13,;45.83,-48.28,;47.16,-47.51,;48.5,-48.28,;48.5,-49.81,;49.83,-50.58,;51.15,-49.81,;52.49,-50.58,;53.83,-49.81,;53.83,-48.26,;55.17,-47.49,;52.49,-47.48,;51.15,-48.26,;49.82,-47.5,;43.19,-57.53,;41.86,-56.76,)|

COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:14.13,wD:17.20,(3.28,-30.86,;3.28,-32.4,;4.61,-33.17,;4.61,-34.72,;5.94,-35.49,;7.27,-34.71,;8.61,-35.48,;9.94,-34.7,;9.94,-33.15,;11.27,-32.37,;8.6,-32.39,;8.6,-30.85,;7.25,-30.09,;9.91,-30.07,;9.91,-28.54,;8.58,-27.78,;8.58,-26.23,;9.91,-25.46,;11.25,-26.23,;11.25,-27.76,;9.91,-23.92,;11.24,-23.15,;12.58,-23.92,;12.58,-25.45,;13.91,-26.22,;15.23,-25.45,;16.57,-26.21,;17.9,-25.44,;17.9,-23.89,;19.23,-23.11,;16.56,-23.12,;15.23,-23.9,;13.9,-23.14,;7.27,-33.17,;5.94,-32.4,)|

COc1ccc2ncc(F)c(CCCN3CCN(CCCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(CCCN3CCN(CCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(CCCN3CCN(CCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4nn3)c2n1 |r|

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r|

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2ncc(F)c(\C=C/CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2ncc(F)c(\C=C\CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|

COc1ccc2nccc(C(O)C[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2nccc(C(O)C[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)c(F)c3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)cc3F)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Cl)c(F)c3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3F)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)cc3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(F)c3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)cc3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)cn3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)nc3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3F)c2n1

COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)cc3)c2n1

COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc(Cl)c(Cl)c3)c2c1 |r,wU:12.11,wD:15.18,(59.42,-2.46,;59.43,-4,;60.76,-4.76,;60.77,-6.31,;62.09,-7.08,;63.42,-6.31,;64.76,-7.08,;66.1,-6.31,;66.09,-4.76,;64.75,-4,;64.75,-2.45,;66.08,-1.67,;67.42,-2.44,;68.74,-1.66,;70.08,-2.43,;70.09,-3.98,;68.75,-4.74,;67.42,-3.98,;71.41,-4.74,;72.75,-3.98,;72.75,-2.43,;74.09,-4.74,;74.08,-6.28,;75.42,-7.05,;76.75,-6.27,;78.08,-7.03,;76.74,-4.73,;78.06,-3.95,;75.4,-3.97,;63.43,-4.77,;62.09,-4,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc(cc3)C(C)(C)C)c2c1 |r,wU:12.11,wD:15.18,(60.63,-32.46,;60.64,-34,;61.97,-34.76,;61.98,-36.31,;63.3,-37.08,;64.63,-36.31,;65.97,-37.09,;67.31,-36.31,;67.3,-34.76,;65.97,-34,;65.96,-32.45,;67.29,-31.67,;68.63,-32.44,;69.96,-31.66,;71.3,-32.43,;71.3,-33.98,;69.96,-34.74,;68.63,-33.98,;72.63,-34.74,;73.96,-33.98,;73.96,-32.43,;75.3,-34.74,;75.3,-36.28,;76.63,-37.05,;77.97,-36.27,;77.96,-34.73,;76.62,-33.97,;79.3,-37.04,;79.31,-38.57,;80.63,-36.26,;80.62,-37.8,;64.64,-34.77,;63.3,-34,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r,wU:12.11,wD:15.18,(2.7,-32.4,;2.7,-33.94,;4.04,-34.7,;4.04,-36.25,;5.37,-37.02,;6.69,-36.25,;8.03,-37.02,;9.37,-36.25,;9.36,-34.7,;8.03,-33.94,;8.02,-32.39,;9.35,-31.61,;10.69,-32.38,;12.02,-31.6,;13.36,-32.37,;13.36,-33.92,;12.02,-34.68,;10.69,-33.92,;14.69,-34.68,;16.02,-33.92,;16.02,-32.38,;17.36,-34.68,;17.35,-36.22,;18.69,-36.99,;20.02,-36.21,;20.01,-34.67,;18.68,-33.91,;21.35,-36.97,;21.36,-38.51,;22.68,-36.2,;22.68,-37.74,;6.7,-34.71,;5.37,-33.94,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4c3)c2c1 |r,wU:12.11,wD:15.18,(4.07,-48.98,;4.08,-50.52,;5.41,-51.28,;5.42,-52.83,;6.74,-53.6,;8.07,-52.83,;9.41,-53.6,;10.75,-52.83,;10.74,-51.28,;9.41,-50.52,;9.4,-48.98,;10.73,-48.19,;12.07,-48.96,;13.39,-48.18,;14.73,-48.95,;14.74,-50.5,;13.4,-51.26,;12.07,-50.5,;16.06,-51.26,;17.4,-50.5,;17.4,-48.96,;18.74,-51.26,;18.73,-52.8,;20.07,-53.57,;21.4,-52.79,;22.73,-53.56,;24.07,-52.78,;24.07,-51.24,;25.39,-50.46,;22.72,-50.46,;21.39,-51.25,;20.06,-50.49,;8.08,-51.29,;6.74,-50.52,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(61.61,-32.73,;61.62,-34.26,;62.95,-35.03,;62.95,-36.57,;64.28,-37.34,;65.61,-36.57,;66.95,-37.35,;68.28,-36.57,;68.28,-35.02,;66.94,-34.26,;66.94,-32.72,;68.27,-31.94,;69.61,-32.71,;70.93,-31.92,;72.27,-32.7,;72.27,-34.24,;70.94,-35.01,;69.6,-34.25,;73.6,-35.01,;74.94,-34.24,;74.94,-32.7,;76.27,-35,;76.27,-36.54,;77.6,-37.31,;78.93,-36.54,;80.27,-37.3,;81.61,-36.53,;81.6,-34.98,;82.93,-34.21,;80.26,-34.2,;78.93,-34.99,;77.59,-34.23,;65.61,-35.03,;64.28,-34.26,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(30.72,-2.75,;30.73,-4.28,;32.06,-5.05,;32.06,-6.6,;33.39,-7.37,;34.72,-6.59,;36.06,-7.37,;37.39,-6.59,;37.39,-5.04,;36.05,-4.28,;36.05,-2.74,;37.38,-1.96,;38.72,-2.73,;40.04,-1.94,;41.38,-2.72,;41.38,-4.26,;40.05,-5.03,;38.71,-4.27,;42.71,-5.03,;44.05,-4.26,;44.05,-2.72,;45.38,-5.03,;45.38,-6.57,;46.71,-7.33,;48.04,-6.57,;49.39,-7.34,;50.73,-6.56,;50.73,-5,;49.37,-4.22,;48.04,-5.01,;46.7,-4.25,;34.72,-5.05,;33.39,-4.28,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4c3)c2c1 |r,wU:12.11,wD:15.18,(61.72,-49.58,;61.72,-51.11,;63.06,-51.88,;63.06,-53.43,;64.38,-54.2,;65.71,-53.42,;67.05,-54.2,;68.39,-53.42,;68.38,-51.87,;67.05,-51.11,;67.04,-49.57,;68.37,-48.79,;69.71,-49.56,;71.03,-48.77,;72.37,-49.55,;72.38,-51.09,;71.04,-51.86,;69.71,-51.1,;73.71,-51.86,;75.04,-51.09,;75.04,-49.55,;76.38,-51.86,;76.37,-53.4,;77.71,-54.16,;79.04,-53.39,;80.37,-54.15,;81.71,-53.38,;81.71,-51.83,;83.03,-51.06,;80.36,-51.06,;79.03,-51.84,;77.7,-51.08,;65.72,-51.88,;64.39,-51.11,)|

COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(32.16,-49.84,;32.16,-51.37,;33.5,-52.14,;33.5,-53.68,;34.82,-54.45,;36.15,-53.68,;37.49,-54.46,;38.83,-53.68,;38.82,-52.13,;37.49,-51.37,;37.48,-49.83,;38.81,-49.05,;40.15,-49.82,;41.47,-49.03,;42.81,-49.81,;42.82,-51.35,;41.48,-52.12,;40.15,-51.35,;44.15,-52.12,;45.48,-51.35,;45.48,-49.81,;46.82,-52.11,;46.81,-53.65,;48.15,-54.42,;49.48,-53.65,;50.81,-54.41,;52.15,-53.63,;52.15,-52.09,;53.47,-51.32,;50.8,-51.31,;49.47,-52.1,;48.14,-51.34,;36.16,-52.14,;34.83,-51.37,)|

COc1ccc2nccc(NC(=O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2nccc(NC(=O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:13.12,wD:16.19,(6.06,-13.06,;7.4,-13.83,;7.4,-15.37,;6.08,-16.14,;6.09,-17.67,;7.41,-18.43,;7.41,-19.97,;8.74,-20.74,;10.08,-19.97,;10.07,-18.42,;11.4,-17.64,;12.74,-18.41,;12.75,-19.95,;14.07,-17.63,;14.06,-16.09,;15.39,-15.32,;16.73,-16.09,;16.73,-17.63,;15.4,-18.4,;18.06,-15.32,;19.4,-16.08,;20.73,-15.31,;20.72,-13.78,;22.05,-13.01,;23.39,-13.77,;24.72,-13,;26.05,-13.78,;26.05,-15.32,;27.38,-16.09,;24.72,-16.08,;23.39,-15.32,;22.06,-16.09,;8.74,-17.66,;8.73,-16.13,)|

COc1ccc2nccc(OC[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2nccc(OC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|

COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc([C@@H](O)[C@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc([C@H](O)[C@@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc([C@H](O)[C@@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1ccc2nccc(\C=C\[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1ccc2nccc(\C=C\[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|

COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|

COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r|

COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|

COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|

C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(O)=O |r|

C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|

Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NCC(O)=O)c(Cl)c1Cl

Cc1[nH]c(C(=O)Nc2ccc3nc(NC(=O)C(O)=O)sc3c2)c(Cl)c1Cl

Cc1[nH]c(C(=O)Nc2nc3ccc(NC(=O)C(O)=O)cc3s2)c(Cl)c1Cl

Cc1[nH]c(C(=O)Nc2nc3ccc(NC(N)=O)cc3s2)c(Cl)c1Cl

Cc1c(CNC2CCC(CC2)NC(N)=N)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 |(35.89,-12.49,;34.42,-12.01,;33.94,-10.55,;34.84,-9.3,;34.21,-7.9,;35.11,-6.65,;36.65,-6.82,;37.55,-5.58,;36.92,-4.17,;35.39,-4.01,;34.48,-5.26,;37.83,-2.92,;39.36,-3.08,;40.27,-1.84,;39.99,-4.49,;32.4,-10.56,;31.93,-12.02,;30.47,-12.5,;29.33,-11.47,;27.87,-11.95,;27.55,-13.46,;26.09,-13.94,;28.71,-14.49,;30.16,-14,;33.18,-12.92,;33.19,-14.46,;31.86,-15.23,;31.86,-16.77,;33.19,-17.54,;33.19,-19.08,;34.53,-16.77,;34.53,-15.22,)|

Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)cc2)no1

Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)cc2)no1

Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=N\N2CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)no1

Cl.COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1 |r|

Cl.C[C@@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r|

Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r|

Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCNCC2)C(=O)NCC(O)=O)c(Cl)c1Cl

Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2O[C@H]2CCNC2)C(=O)NCC(O)=O)c(Cl)c1Cl |r|

Cl.Cc1[nH]c(C(=O)Nc2nc3ccc(NC(=O)CCN)cc3s2)c(Cl)c1Cl

F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|

Fc1ccc2ccc(=O)n3CC(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23

Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|

Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5OCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|

Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|

Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|

Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)|

Fc1ccc2ccc(=O)n3C[C@@H](NCCC[C@H]4CN(C(=O)O4)c4ccc5OCC(=O)Nc5n4)c1c23 |r|

Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|

Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|

Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|

Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)|

Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|

NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)cc1

NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)cc1

NS(=O)(=O)c1ccc(cc1)\N=N\N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1

O=c1ccc2ncc(=O)n3C(CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23

O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r|

OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)[nH]c2c1

OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1

OC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|

OC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|

OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|

OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC(=O)Nc4ccc(cc4)S(=O)(=O)Nc4cnc5ccccc5n4)CC3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC(=O)Nc4ccc(cc4)S(=O)(=O)Nc4cncc(Cl)n4)CC3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC(=O)Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)CC3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)\N=N\c3ccc(cc3)S(=O)(=O)Nc3cnc4ccccc4n3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)\N=N\c3ccc(cc3)S(=O)(=O)Nc3cncc(Cl)n3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)\N=N\c3ccc(cc3)S(=O)(=O)Nc3ncccn3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCC(=O)Nc4ccc(cc4)S(=O)(=O)Nc4cnc5ccccc5n4)CC3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCC(=O)Nc4ccc(cc4)S(=O)(=O)Nc4cncc(Cl)n4)CC3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCC(=O)Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)CC3)c(F)cc2c1=O

OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

[#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(cc1)\[#7]=[#7]\[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]1)-c1cc2n(cc(-[#6](-[#8])=O)c(=O)c2cc1F)-[#6]-1-[#6]-[#6]-1

[H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.71,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.71,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)|

[H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)|

[H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2SCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.72,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.72,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2CCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(46.4,-15.49,;45.08,-14.72,;43.73,-13.97,;43.73,-12.43,;45.07,-11.65,;46.41,-12.42,;46.41,-13.95,;45.07,-10.11,;46.4,-9.34,;47.73,-10.11,;49.05,-9.33,;50.39,-10.09,;51.72,-9.32,;53.06,-10.09,;53.06,-11.63,;51.72,-12.4,;50.39,-11.63,;49.06,-12.41,;47.73,-11.65,;45.08,-16.26,;46.42,-17.02,;43.76,-17.04,;43.76,-18.58,;45.1,-19.34,;46.43,-18.56,;45.1,-20.89,;43.77,-21.66,;42.44,-20.9,;41.1,-21.67,;39.77,-20.9,;39.77,-19.36,;38.44,-18.59,;38.44,-17.05,;41.1,-18.59,;42.44,-19.35,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2NC(=O)COc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(11.74,-54.25,;10.42,-53.49,;9.08,-52.74,;9.08,-51.19,;10.41,-50.42,;11.75,-51.19,;11.75,-52.72,;10.41,-48.88,;11.74,-48.1,;13.07,-48.87,;14.4,-48.1,;15.73,-48.86,;17.06,-48.08,;18.4,-48.85,;19.73,-48.08,;18.4,-50.4,;17.06,-51.16,;15.73,-50.4,;14.4,-51.18,;13.07,-50.41,;10.42,-55.03,;11.76,-55.79,;9.11,-55.8,;9.11,-57.34,;10.44,-58.1,;11.77,-57.33,;10.44,-59.65,;9.12,-60.43,;7.78,-59.66,;6.45,-60.44,;5.12,-59.67,;5.12,-58.12,;3.78,-57.35,;3.78,-55.81,;6.44,-57.35,;7.78,-58.12,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2NC(=O)CSc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(30.53,-53.76,;29.2,-53,;27.86,-52.24,;27.86,-50.7,;29.19,-49.93,;30.53,-50.7,;30.53,-52.23,;29.19,-48.39,;30.52,-47.61,;31.86,-48.38,;33.18,-47.61,;34.51,-48.37,;35.84,-47.59,;37.18,-48.36,;38.51,-47.59,;37.18,-49.91,;35.85,-50.67,;34.51,-49.91,;33.19,-50.69,;31.86,-49.92,;29.2,-54.54,;30.55,-55.3,;27.89,-55.31,;27.89,-56.85,;29.22,-57.61,;30.55,-56.83,;29.22,-59.16,;27.9,-59.94,;26.56,-59.17,;25.23,-59.95,;23.9,-59.18,;23.9,-57.63,;22.56,-56.86,;22.56,-55.32,;25.23,-56.86,;26.56,-57.63,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2cn1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(11.25,-30.96,;9.92,-30.19,;8.58,-29.44,;8.58,-27.9,;9.91,-27.12,;11.25,-27.89,;11.25,-29.43,;9.91,-25.58,;11.24,-24.81,;12.58,-25.58,;13.9,-24.8,;15.23,-25.56,;16.56,-24.79,;17.9,-25.56,;17.9,-27.1,;16.57,-27.87,;15.23,-27.11,;13.91,-27.88,;12.58,-27.12,;9.92,-31.73,;11.27,-32.5,;8.61,-32.51,;8.61,-34.05,;9.94,-34.81,;11.27,-34.03,;9.94,-36.36,;8.62,-37.13,;7.28,-36.37,;5.95,-37.15,;4.62,-36.37,;4.62,-34.83,;3.28,-34.06,;3.28,-32.52,;5.95,-34.06,;7.28,-34.82,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(48.24,-49.87,;46.91,-49.11,;45.57,-48.36,;45.57,-46.81,;46.9,-46.04,;48.24,-46.81,;48.24,-48.34,;46.9,-44.5,;48.23,-43.73,;49.57,-44.49,;50.89,-43.72,;52.23,-44.48,;53.55,-43.7,;54.89,-44.48,;54.89,-46.02,;53.56,-46.79,;52.23,-46.02,;50.9,-46.8,;49.57,-46.03,;46.91,-50.65,;48.26,-51.41,;45.6,-51.43,;45.6,-52.97,;46.94,-53.73,;48.27,-52.95,;46.94,-55.28,;45.61,-56.05,;44.27,-55.28,;42.94,-56.06,;41.61,-55.29,;41.61,-53.75,;40.28,-52.98,;40.28,-51.44,;42.94,-52.98,;44.27,-53.74,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(29.25,-15.08,;27.93,-14.32,;26.58,-13.57,;26.58,-12.02,;27.92,-11.25,;29.26,-12.02,;29.26,-13.55,;27.92,-9.71,;29.25,-8.93,;30.58,-9.7,;31.91,-8.93,;33.24,-9.69,;34.57,-8.91,;35.91,-9.69,;35.91,-11.23,;34.57,-12,;33.24,-11.23,;31.91,-12.01,;30.58,-11.24,;27.93,-15.86,;29.27,-16.62,;26.61,-16.63,;26.61,-18.17,;27.95,-18.93,;29.28,-18.16,;27.95,-20.48,;26.62,-21.26,;25.29,-20.49,;23.95,-21.27,;22.62,-20.5,;22.62,-18.95,;21.29,-18.18,;21.29,-16.64,;23.95,-18.18,;25.29,-18.95,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(9.96,-11.69,;8.64,-10.93,;7.3,-10.18,;7.3,-8.63,;8.63,-7.86,;9.97,-8.63,;9.97,-10.16,;8.63,-6.32,;9.96,-5.54,;11.29,-6.31,;12.62,-5.54,;13.95,-6.3,;15.28,-5.52,;16.62,-6.29,;16.62,-7.84,;15.28,-8.6,;13.95,-7.84,;12.62,-8.62,;11.29,-7.85,;8.64,-12.47,;9.98,-13.23,;7.32,-13.24,;7.32,-14.78,;8.66,-15.54,;9.99,-14.77,;8.66,-17.09,;7.33,-17.87,;6,-17.1,;4.67,-17.88,;3.33,-17.11,;3.33,-15.56,;2,-14.79,;2,-13.25,;4.66,-14.79,;6,-15.56,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(11.87,-34.4,;10.54,-33.64,;9.2,-32.89,;9.2,-31.34,;10.53,-30.57,;11.87,-31.34,;11.87,-32.87,;10.53,-29.03,;11.86,-28.25,;13.2,-29.02,;14.52,-28.25,;15.86,-29.01,;17.18,-28.23,;18.52,-29,;18.52,-30.55,;17.19,-31.32,;15.86,-30.55,;14.53,-31.33,;13.2,-30.56,;10.54,-35.18,;11.89,-35.94,;9.23,-35.95,;9.23,-37.49,;10.57,-38.25,;11.9,-37.48,;10.57,-39.8,;9.24,-40.58,;7.9,-39.81,;6.57,-40.59,;5.24,-39.82,;5.24,-38.27,;3.91,-37.5,;3.91,-35.96,;6.57,-37.5,;7.9,-38.27,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2OCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:18.21,wD:4.7,1.0,(66.48,-34.3,;65.16,-33.54,;63.82,-32.79,;63.82,-31.24,;65.15,-30.47,;66.49,-31.24,;66.49,-32.77,;65.15,-28.93,;66.48,-28.15,;67.81,-28.92,;69.14,-28.15,;70.48,-28.9,;71.95,-28.43,;72.86,-29.68,;71.94,-30.93,;70.48,-30.45,;69.14,-31.23,;67.81,-30.46,;65.16,-35.08,;66.5,-35.84,;63.84,-35.85,;63.84,-37.39,;65.18,-38.15,;66.51,-37.37,;65.18,-39.7,;63.86,-40.48,;62.52,-39.71,;61.19,-40.49,;59.85,-39.72,;59.85,-38.17,;58.52,-37.4,;58.52,-35.86,;61.18,-37.4,;62.52,-38.17,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(27.35,-30.81,;26.02,-30.04,;24.68,-29.29,;24.68,-27.75,;26.01,-26.97,;27.35,-27.74,;27.35,-29.28,;26.01,-25.43,;27.34,-24.66,;28.68,-25.43,;30,-24.65,;31.33,-25.42,;32.66,-24.64,;34,-25.41,;34,-26.95,;32.66,-27.72,;31.33,-26.96,;30.01,-27.74,;28.68,-26.97,;26.02,-31.58,;27.37,-32.35,;24.71,-32.36,;24.71,-33.9,;26.04,-34.66,;27.37,-33.88,;26.04,-36.21,;24.72,-36.98,;23.38,-36.22,;22.05,-37,;20.72,-36.23,;20.72,-34.68,;19.38,-33.91,;19.38,-32.37,;22.05,-33.91,;23.38,-34.67,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(66.96,-49.85,;65.63,-49.09,;64.29,-48.34,;64.29,-46.8,;65.62,-46.02,;66.96,-46.79,;66.96,-48.32,;65.62,-44.48,;66.95,-43.71,;68.29,-44.48,;69.61,-43.7,;70.95,-44.46,;72.27,-43.69,;73.61,-44.46,;73.61,-46,;72.28,-46.77,;70.95,-46,;69.62,-46.78,;68.29,-46.01,;65.63,-50.63,;66.98,-51.39,;64.32,-51.41,;64.32,-52.95,;65.66,-53.71,;66.98,-52.93,;65.66,-55.26,;64.33,-56.03,;62.99,-55.26,;61.66,-56.04,;60.33,-55.27,;60.33,-53.73,;59,-52.96,;59,-51.42,;61.66,-52.96,;62.99,-53.72,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(68.73,-15.28,;67.41,-14.52,;66.06,-13.77,;66.06,-12.22,;67.4,-11.45,;68.74,-12.22,;68.74,-13.75,;67.4,-9.91,;68.73,-9.14,;70.06,-9.9,;71.38,-9.13,;72.72,-9.89,;74.05,-9.11,;75.39,-9.89,;75.39,-11.43,;74.05,-12.2,;72.72,-11.43,;71.39,-12.21,;70.06,-11.44,;67.41,-16.06,;68.75,-16.82,;66.09,-16.84,;66.09,-18.38,;67.43,-19.14,;68.76,-18.36,;67.43,-20.69,;66.1,-21.46,;64.77,-20.69,;63.43,-21.47,;62.1,-20.7,;62.1,-19.16,;60.77,-18.39,;60.77,-16.85,;63.43,-18.39,;64.77,-19.15,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:18.21,wD:4.7,1.0,(46.47,-34.25,;45.15,-33.49,;43.8,-32.74,;43.8,-31.19,;45.14,-30.42,;46.48,-31.19,;46.48,-32.72,;45.14,-28.88,;46.47,-28.11,;47.8,-28.87,;49.12,-28.1,;50.46,-28.85,;51.94,-28.38,;52.85,-29.63,;51.93,-30.88,;50.46,-30.4,;49.13,-31.18,;47.8,-30.41,;45.15,-35.03,;46.49,-35.79,;43.83,-35.81,;43.83,-37.35,;45.17,-38.11,;46.5,-37.33,;45.17,-39.66,;43.84,-40.43,;42.51,-39.66,;41.17,-40.44,;39.84,-39.67,;39.84,-38.13,;38.51,-37.36,;38.51,-35.82,;41.17,-37.36,;42.51,-38.12,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc(C)cc1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:16.18,wD:4.7,1.0,(66.94,-11.75,;65.61,-10.99,;64.27,-10.24,;64.27,-8.69,;65.6,-7.92,;66.94,-8.69,;66.94,-10.22,;65.6,-6.38,;66.93,-5.61,;68.27,-6.37,;68.27,-7.91,;69.6,-8.68,;70.93,-7.9,;72.26,-8.67,;70.93,-6.36,;69.59,-5.6,;65.61,-12.53,;66.96,-13.29,;64.3,-13.31,;64.3,-14.85,;65.63,-15.61,;66.96,-14.83,;65.63,-17.16,;64.31,-17.93,;62.97,-17.16,;61.64,-17.94,;60.31,-17.17,;60.31,-15.63,;58.97,-14.86,;58.97,-13.32,;61.64,-14.86,;62.97,-15.62,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc(C)cc1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:16.18,wD:4.7,1.0,(67.04,-52.95,;65.71,-52.19,;64.37,-51.44,;64.37,-49.89,;65.7,-49.12,;67.04,-49.89,;67.04,-51.42,;65.7,-47.58,;67.03,-46.8,;68.37,-47.57,;68.37,-49.11,;69.7,-49.88,;71.03,-49.11,;72.37,-49.87,;71.03,-47.56,;69.69,-46.8,;65.71,-53.73,;67.06,-54.49,;64.4,-54.5,;64.4,-56.04,;65.73,-56.8,;67.06,-56.03,;65.73,-58.35,;64.41,-59.13,;63.07,-58.36,;61.74,-59.14,;60.41,-58.37,;60.41,-56.82,;59.07,-56.05,;59.07,-54.51,;61.74,-56.05,;63.07,-56.82,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc(Cl)c(Cl)c1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:17.19,wD:4.7,1.0,(66.27,-31.21,;64.94,-30.44,;63.6,-29.69,;63.6,-28.15,;64.93,-27.37,;66.27,-28.14,;66.27,-29.68,;64.93,-25.83,;66.26,-25.06,;67.6,-25.83,;67.6,-27.37,;68.93,-28.14,;70.25,-27.36,;71.59,-28.12,;70.25,-25.81,;71.59,-25.04,;68.92,-25.05,;64.94,-31.98,;66.29,-32.75,;63.63,-32.76,;63.63,-34.3,;64.96,-35.06,;66.29,-34.28,;64.96,-36.61,;63.64,-37.39,;62.3,-36.62,;60.97,-37.4,;59.64,-36.63,;59.64,-35.08,;58.3,-34.31,;58.3,-32.77,;60.97,-34.31,;62.3,-35.07,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc(Cl)c(Cl)c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:17.19,wD:4.7,1.0,(46.92,-12.03,;45.6,-11.27,;44.25,-10.52,;44.25,-8.97,;45.59,-8.2,;46.93,-8.97,;46.93,-10.5,;45.59,-6.65,;46.92,-5.88,;48.25,-6.65,;48.25,-8.19,;49.59,-8.96,;50.91,-8.18,;52.25,-8.94,;50.91,-6.64,;52.25,-5.86,;49.58,-5.88,;45.6,-12.81,;46.94,-13.57,;44.28,-13.59,;44.28,-15.13,;45.62,-15.89,;46.95,-15.11,;45.62,-17.44,;44.29,-18.21,;42.96,-17.45,;41.62,-18.22,;40.29,-17.45,;40.29,-15.91,;38.96,-15.14,;38.96,-13.6,;41.62,-15.14,;42.96,-15.9,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc(Cl)c(Cl)c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:17.19,wD:4.7,1.0,(50.13,-53.68,;48.8,-52.92,;47.46,-52.17,;47.46,-50.62,;48.79,-49.85,;50.13,-50.62,;50.13,-52.15,;48.79,-48.31,;50.12,-47.54,;51.46,-48.3,;51.46,-49.84,;52.79,-50.61,;54.12,-49.84,;55.46,-50.6,;54.12,-48.29,;55.44,-47.51,;52.78,-47.53,;48.8,-54.46,;50.15,-55.22,;47.49,-55.23,;47.49,-56.77,;48.82,-57.54,;50.15,-56.76,;48.82,-59.08,;47.5,-59.86,;46.16,-59.09,;44.83,-59.87,;43.5,-59.1,;43.5,-57.55,;42.16,-56.79,;42.16,-55.25,;44.83,-56.78,;46.16,-57.55,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(44.26,-30.26,;42.93,-29.49,;41.59,-28.74,;41.59,-27.2,;42.92,-26.42,;44.26,-27.19,;44.26,-28.72,;42.92,-24.88,;44.25,-24.11,;45.58,-24.88,;45.58,-26.41,;46.92,-27.18,;48.24,-26.4,;49.57,-27.17,;50.91,-26.4,;50.91,-24.86,;52.24,-24.09,;49.57,-24.09,;48.24,-24.86,;46.91,-24.1,;42.93,-31.03,;44.28,-31.79,;41.62,-31.81,;41.62,-33.35,;42.95,-34.11,;44.28,-33.33,;42.95,-35.66,;41.63,-36.43,;40.29,-35.67,;38.96,-36.44,;37.63,-35.67,;37.63,-34.13,;36.29,-33.36,;36.29,-31.82,;38.95,-33.36,;40.29,-34.12,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:20.23,wD:4.7,1.0,(27.63,-11.49,;26.31,-10.72,;24.97,-9.97,;24.97,-8.43,;26.3,-7.65,;27.64,-8.42,;27.64,-9.96,;26.3,-6.11,;27.63,-5.34,;28.96,-6.11,;28.96,-7.65,;30.29,-8.42,;31.62,-7.64,;32.95,-8.4,;34.29,-7.63,;34.29,-6.09,;35.62,-5.32,;32.95,-5.32,;31.62,-6.1,;30.29,-5.33,;26.31,-12.26,;27.65,-13.03,;25,-13.04,;25,-14.58,;26.33,-15.34,;27.66,-14.56,;26.33,-16.89,;25.01,-17.66,;23.67,-16.9,;22.34,-17.68,;21.01,-16.91,;21.01,-15.36,;19.67,-14.59,;19.67,-13.05,;22.33,-14.59,;23.67,-15.35,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(28,-49.92,;26.68,-49.16,;25.33,-48.41,;25.33,-46.86,;26.67,-46.09,;28.01,-46.86,;28.01,-48.39,;26.67,-44.55,;28,-43.78,;29.33,-44.54,;29.33,-46.08,;30.66,-46.85,;31.99,-46.07,;33.32,-46.84,;34.66,-46.07,;34.66,-44.53,;33.32,-43.75,;31.99,-44.53,;30.66,-43.77,;26.68,-50.7,;28.02,-51.46,;25.36,-51.48,;25.36,-53.02,;26.7,-53.78,;28.03,-53,;26.7,-55.33,;25.37,-56.1,;24.04,-55.33,;22.71,-56.11,;21.37,-55.34,;21.37,-53.8,;20.04,-53.03,;20.04,-51.49,;22.7,-53.03,;24.04,-53.79,)|

[H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(12.1,-14.99,;10.78,-14.23,;9.44,-13.47,;9.44,-11.93,;10.77,-11.15,;12.11,-11.93,;12.11,-13.46,;10.77,-9.61,;12.1,-8.84,;13.43,-9.61,;13.43,-11.15,;14.76,-11.92,;16.09,-11.14,;17.42,-11.9,;18.76,-11.13,;18.76,-9.59,;17.42,-8.82,;16.09,-9.6,;14.76,-8.84,;10.78,-15.77,;12.12,-16.53,;9.46,-16.54,;9.46,-18.08,;10.8,-18.84,;12.13,-18.07,;10.8,-20.39,;9.47,-21.17,;8.14,-20.4,;6.81,-21.18,;5.47,-20.41,;5.47,-18.86,;4.14,-18.09,;4.14,-16.55,;6.8,-18.09,;8.14,-18.86,)|

[H][C@@]1(OC[C@@H](CO1)NCc1cnc2OCCOc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(27.1,-34.4,;25.77,-33.64,;24.43,-32.89,;24.43,-31.34,;25.76,-30.57,;27.1,-31.34,;27.1,-32.87,;25.76,-29.03,;27.09,-28.25,;28.43,-29.02,;28.43,-30.56,;29.76,-31.33,;31.08,-30.55,;32.42,-31.32,;33.75,-30.55,;33.75,-29,;32.41,-28.23,;31.08,-29.01,;29.75,-28.25,;25.77,-35.18,;27.12,-35.94,;24.46,-35.95,;24.46,-37.49,;25.79,-38.25,;27.12,-37.48,;25.79,-39.8,;24.47,-40.58,;23.13,-39.81,;21.8,-40.59,;20.47,-39.82,;20.47,-38.27,;19.13,-37.5,;19.13,-35.96,;21.8,-37.5,;23.13,-38.27,)|

[H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r|