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47 SMILES Strings for NanoLuc luciferase (Nluc)

Compound NameSMILES String
BDBM223147 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:20.25,17.18,(9.32,-10.12,;8.84,-11.58,;9.87,-12.73,;9.4,-14.19,;7.89,-14.51,;10.43,-15.34,;9.95,-16.8,;10.86,-18.05,;9.95,-19.29,;8.49,-18.82,;7.02,-19.29,;6.12,-18.05,;7.02,-16.8,;8.49,-17.28,;12.4,-18.05,;13.17,-16.71,;13.17,-19.38,;14.71,-19.38,;15.48,-18.05,;17.02,-18.05,;17.79,-19.38,;17.02,-20.71,;15.48,-20.71,;19.33,-19.38,;20.1,-18.05,;20.1,-20.71,;21.64,-20.71,;11.38,-12.41,;12.41,-13.55,;13.91,-13.23,;14.39,-11.77,;13.36,-10.62,;13.84,-9.16,;11.85,-10.94,)|
BDBM223149 CCN(C(=O)Cn1c(cc2sccc12)C(=O)Nc1cccc(c1)C(=O)OC)c1cccc(C)c1
BDBM223150 CCOC(=O)Cc1ccc(NC(=O)c2cc3sccc3n2CC(=O)N(CC)c2cccc(C)c2)cc1
BDBM223151 Cc1cccc(NC(=O)Cn2c(cc3sccc23)C(=O)NC2CCCCC2)c1
BDBM223152 COCCOCCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCCC1)c1cccc(C)c1
BDBM223153 COCCOCCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:22.23,wD:25.30,(24.51,-19.52,;23.17,-18.75,;21.84,-19.52,;20.5,-18.75,;19.17,-19.52,;17.84,-18.75,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;12.5,-21.83,;12.5,-23.37,;13.84,-21.06,)|
BDBM223148 CCN(C(=O)Cn1c(cc2sccc12)C(=O)Nc1ccccc1)c1cccc(C)c1
BDBM223154 CCCCCCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCCC1)c1cccc(C)c1
BDBM223155 CCCCCCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:21.22,wD:24.29,(23.17,-18.75,;21.84,-19.52,;20.5,-18.75,;19.17,-19.52,;17.84,-18.75,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;12.5,-21.83,;12.5,-23.37,;13.84,-21.06,)|
BDBM223156 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccccc1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;12.5,-21.83,;13.84,-21.06,)|
BDBM223157 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccccc1C |r,wU:17.18,wD:20.25,(17.84,-18.75,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;12.5,-21.83,;13.84,-21.06,;15.17,-21.83,)|
BDBM223158 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccc(C)cc1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;9.83,-21.83,;12.5,-21.83,;13.84,-21.06,)|
BDBM223174 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCN(C)C)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;68.7,-29.06,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223175 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCC(O)=O)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;66.73,-32.62,;69.34,-32.07,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223176 CCCCCCNC(=O)C1CCC(CC1)NC(=O)c1cc2sccc2n1CC(=O)N(CC)c1cccc(C)c1 |(69.66,-33.57,;69.34,-32.07,;67.87,-31.59,;67.55,-30.09,;66.09,-29.61,;65.77,-28.1,;64.3,-27.63,;63.98,-26.12,;65.13,-25.09,;62.52,-25.65,;61.37,-26.68,;59.91,-26.2,;59.59,-24.69,;60.73,-23.66,;62.2,-24.14,;58.13,-24.22,;56.98,-25.25,;57.3,-26.75,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;54.27,-25.68,;54.27,-27.22,;52.94,-27.99,;51.6,-27.22,;52.94,-29.53,;54.27,-30.3,;54.27,-31.84,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223177 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCO)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223159 COC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2sccc2n1CC(=O)N1CCCc2cc(C)ccc12 |r,wU:7.10,wD:4.3,(28,-17.33,;26.54,-16.86,;26.22,-15.35,;27.36,-14.32,;24.75,-14.87,;24.43,-13.37,;22.97,-12.89,;21.82,-13.92,;22.14,-15.43,;23.61,-15.9,;20.36,-13.45,;19.21,-14.48,;19.53,-15.98,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;16.5,-14.9,;16.5,-16.44,;15.17,-17.21,;13.84,-16.44,;15.17,-18.75,;16.5,-19.52,;16.5,-21.06,;15.17,-21.83,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;9.83,-21.83,;11.17,-19.52,;12.5,-18.75,;13.84,-19.52,)|
BDBM223160 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC)c1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;9.83,-18.75,;8.5,-19.52,;12.5,-18.75,)|
BDBM223161 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(c1)C(C)C |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;12.5,-18.75,;9.83,-18.75,;8.5,-19.52,;9.83,-17.21,)|
BDBM223162 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC(C)C)c1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;9.83,-18.75,;8.5,-19.52,;7.17,-18.75,;8.5,-21.06,;12.5,-18.75,)|
BDBM223178 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCN)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223179 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCC(O)=O)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;68.51,-34.61,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223180 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCCC(O)=O)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;71.44,-35.56,;72.91,-36.03,;70.3,-36.59,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223181 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCS(O)(=O)=O)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;71.52,-32.56,;70.72,-35.54,;72.61,-34.45,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223139 CCN(C(=O)Cn1c(cc2sccc12)C(=O)OC)c1cccc(C)c1
BDBM223140 CCN(C(=O)Cn1c(cc2sccc12)C(O)=O)c1cccc(C)c1
BDBM223141 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC)c1cccc(C)c1
BDBM223142 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCC1)c1cccc(C)c1
BDBM223143 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCCC1)c1cccc(C)c1
BDBM223144 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N1CCCC1)c1cccc(C)c1
BDBM223145 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N1CCCCC1)c1cccc(C)c1
BDBM223163 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(c1)C#N |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;12.5,-18.75,;9.83,-18.75,;8.5,-17.98,)|
BDBM223164 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(OC)c1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;9.83,-18.75,;8.5,-19.52,;12.5,-18.75,)|
BDBM223165 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(c1)C(N)=O |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;12.5,-18.75,;9.83,-18.75,;8.5,-19.52,;9.83,-17.21,)|
BDBM223182 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCO)c1cccc(CC)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-34.92,;51.6,-31.84,)|
BDBM223183 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCS(O)(=O)=O)c1cccc(CC)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;71.52,-32.56,;72.61,-34.45,;70.72,-35.54,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-34.92,;51.6,-31.84,)|
BDBM223184 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)c1cccc(C)c1 |r,wU:43.50,20.25,wD:35.42,17.18,51.58,(35.76,-7.61,;36.96,-8.58,;36.64,-10.09,;37.78,-11.12,;39.24,-10.64,;37.46,-12.62,;38.6,-13.66,;38.44,-15.19,;39.85,-15.81,;40.88,-14.67,;42.39,-14.35,;42.55,-12.82,;41.14,-12.19,;40.11,-13.33,;37.11,-15.96,;37.11,-17.5,;35.78,-15.19,;34.44,-15.96,;33.11,-15.19,;31.77,-15.96,;31.77,-17.5,;33.11,-18.27,;34.44,-17.5,;30.44,-18.27,;30.44,-19.81,;29.11,-17.5,;27.77,-18.27,;26.44,-17.5,;25.11,-18.27,;23.77,-17.5,;22.44,-18.27,;21.11,-17.5,;19.77,-18.27,;18.44,-17.5,;18.44,-15.96,;17.1,-18.27,;17.1,-19.81,;18.44,-20.58,;19.77,-19.81,;18.44,-22.12,;15.77,-17.5,;14.44,-18.27,;14.44,-19.81,;13.1,-17.5,;13.1,-15.96,;14.44,-15.19,;15.77,-15.96,;14.44,-13.65,;11.77,-18.27,;10.44,-17.5,;10.44,-15.96,;9.1,-18.27,;9.1,-19.81,;10.44,-20.58,;11.77,-19.81,;10.44,-22.12,;7.77,-17.5,;6.43,-18.27,;5.1,-17.5,;6.43,-19.81,;35.17,-10.56,;34.03,-9.53,;32.56,-10.01,;32.24,-11.52,;33.39,-12.55,;33.07,-14.05,;34.85,-12.07,)|
BDBM223166 CCN(C(=O)Cn1cccc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:14.14,wD:17.21,(19.12,-19.17,;17.79,-19.94,;16.45,-19.17,;15.12,-19.94,;15.12,-21.48,;13.79,-19.17,;12.45,-19.94,;12.29,-21.47,;10.78,-21.79,;10.01,-20.46,;11.04,-19.32,;10.72,-17.81,;9.26,-17.33,;11.87,-16.78,;11.47,-15.29,;9.98,-14.89,;9.58,-13.41,;10.67,-12.32,;12.16,-12.71,;12.56,-14.2,;10.27,-10.83,;8.79,-10.43,;11.36,-9.74,;10.97,-8.25,;16.45,-17.63,;15.12,-16.86,;15.12,-15.32,;16.45,-14.55,;17.79,-15.32,;19.12,-14.55,;17.79,-16.86,)|
BDBM223167 CCN(C(=O)Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:21.26,wD:18.19,(9.46,-10.12,;8.99,-11.58,;10.02,-12.73,;9.54,-14.19,;8.04,-14.51,;10.57,-15.34,;10.1,-16.8,;11,-18.05,;10.1,-19.29,;8.63,-18.82,;7.3,-19.59,;5.96,-18.82,;5.96,-17.28,;7.3,-16.51,;8.63,-17.28,;12.54,-18.05,;13.31,-16.71,;13.31,-19.38,;14.85,-19.38,;15.62,-20.71,;17.16,-20.71,;17.93,-19.38,;17.16,-18.05,;15.62,-18.05,;19.47,-19.38,;20.24,-18.05,;20.24,-20.71,;21.78,-20.71,;11.52,-12.41,;12.55,-13.55,;14.06,-13.23,;14.54,-11.77,;13.51,-10.62,;13.98,-9.16,;12,-10.94,)|
BDBM223168 CCN(C(=O)Cn1c(cc2ccc(OC)cc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:23.28,wD:20.21,(10.79,-10.12,;10.31,-11.58,;11.34,-12.73,;10.87,-14.19,;9.36,-14.51,;11.9,-15.34,;11.42,-16.8,;12.33,-18.05,;11.42,-19.29,;9.96,-18.82,;8.63,-19.59,;7.29,-18.82,;7.29,-17.28,;5.96,-16.51,;4.62,-17.28,;8.63,-16.51,;9.96,-17.28,;13.87,-18.05,;14.64,-16.71,;14.64,-19.38,;16.18,-19.38,;16.95,-20.71,;18.49,-20.71,;19.26,-19.38,;18.49,-18.05,;16.95,-18.05,;20.8,-19.38,;21.57,-18.05,;21.57,-20.71,;23.11,-20.71,;12.85,-12.41,;13.88,-13.55,;15.39,-13.23,;15.86,-11.77,;14.83,-10.62,;15.31,-9.16,;13.33,-10.94,)|
BDBM223169 CCN(C(=O)Cn1c(cc2occc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:20.25,wD:17.18,(9.32,-10.12,;8.84,-11.58,;9.87,-12.73,;9.4,-14.19,;7.89,-14.51,;10.43,-15.34,;9.95,-16.8,;10.86,-18.05,;9.95,-19.29,;8.49,-18.82,;7.02,-19.29,;6.12,-18.05,;7.02,-16.8,;8.49,-17.28,;12.4,-18.05,;13.17,-16.71,;13.17,-19.38,;14.71,-19.38,;15.48,-20.71,;17.02,-20.71,;17.79,-19.38,;17.02,-18.05,;15.48,-18.05,;19.33,-19.38,;20.1,-18.05,;20.1,-20.71,;21.64,-20.71,;11.38,-12.41,;12.41,-13.55,;13.91,-13.23,;14.39,-11.77,;13.36,-10.62,;13.84,-9.16,;11.85,-10.94,)|
BDBM223185 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCNC(=O)c1ccc2COC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)c1cccc(C)c1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;28.32,-18.84,;29.79,-19.31,;30.11,-20.82,;31.57,-21.3,;31.89,-22.8,;33.36,-23.28,;33.68,-24.78,;32.53,-25.81,;35.22,-24.78,;35.99,-23.45,;37.53,-23.45,;38.3,-24.78,;39.82,-25.03,;40.06,-26.55,;38.69,-27.25,;37.6,-26.16,;35.99,-26.12,;40.02,-28.02,;41.35,-27.25,;42.69,-28.02,;42.69,-29.56,;44.02,-30.33,;41.35,-30.33,;40.02,-29.56,;38.69,-30.33,;37.35,-29.56,;36.02,-30.33,;34.68,-29.56,;33.35,-30.33,;34.68,-28.02,;36.02,-27.25,;37.35,-28.02,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;12.5,-21.83,;12.5,-23.37,;13.84,-21.06,)|
BDBM223170 CCN(C(=O)Cn1c(cc2ccsc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:20.25,wD:17.18,(9.32,-10.12,;8.84,-11.58,;9.87,-12.73,;9.4,-14.19,;7.89,-14.51,;10.43,-15.34,;9.95,-16.8,;10.86,-18.05,;9.95,-19.29,;8.49,-18.82,;7.02,-19.29,;6.12,-18.05,;7.02,-16.8,;8.49,-17.28,;12.4,-18.05,;13.17,-16.71,;13.17,-19.38,;14.71,-19.38,;15.48,-20.71,;17.02,-20.71,;17.79,-19.38,;17.02,-18.05,;15.48,-18.05,;19.33,-19.38,;20.1,-18.05,;20.1,-20.71,;21.64,-20.71,;11.38,-12.41,;12.41,-13.55,;13.91,-13.23,;14.39,-11.77,;13.36,-10.62,;13.84,-9.16,;11.85,-10.94,)|
BDBM223171 CCN(C(=O)Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC)c1 |r,wU:21.26,wD:18.19,(9.46,-10.29,;8.99,-11.75,;10.02,-12.9,;9.54,-14.36,;8.04,-14.68,;10.57,-15.5,;10.1,-16.97,;11,-18.22,;10.1,-19.46,;8.63,-18.99,;7.3,-19.76,;5.96,-18.99,;5.96,-17.45,;7.3,-16.68,;8.63,-17.45,;12.54,-18.22,;13.31,-16.88,;13.31,-19.55,;14.85,-19.55,;15.62,-20.88,;17.16,-20.88,;17.93,-19.55,;17.16,-18.22,;15.62,-18.22,;19.47,-19.55,;20.24,-18.22,;20.24,-20.88,;21.78,-20.88,;11.52,-12.58,;12.55,-13.72,;14.06,-13.4,;14.54,-11.93,;13.51,-10.79,;13.98,-9.33,;15.49,-9.01,;12,-11.11,)|
BDBM223172 CCCCNC(=O)C1CCC(CC1)NC(=O)c1cc2sccc2n1CC(=O)N(CC)c1cccc(C)c1 |(67.87,-31.59,;67.55,-30.09,;66.09,-29.61,;65.77,-28.1,;64.3,-27.63,;63.98,-26.12,;65.13,-25.09,;62.52,-25.65,;61.37,-26.68,;59.91,-26.2,;59.59,-24.69,;60.73,-23.66,;62.2,-24.14,;58.13,-24.22,;56.98,-25.25,;57.3,-26.75,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;54.27,-25.68,;54.27,-27.22,;52.94,-27.99,;51.6,-27.22,;52.94,-29.53,;54.27,-30.3,;54.27,-31.84,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223173 CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCO)c1cccc(C)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
BDBM223146 CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:20.25,wD:17.18,(9.32,-10.12,;8.84,-11.58,;9.87,-12.73,;9.4,-14.19,;7.89,-14.51,;10.43,-15.34,;9.95,-16.8,;10.86,-18.05,;9.95,-19.29,;8.49,-18.82,;7.02,-19.29,;6.12,-18.05,;7.02,-16.8,;8.49,-17.28,;12.4,-18.05,;13.17,-16.71,;13.17,-19.38,;14.71,-19.38,;15.48,-20.71,;17.02,-20.71,;17.79,-19.38,;17.02,-18.05,;15.48,-18.05,;19.33,-19.38,;20.1,-18.05,;20.1,-20.71,;21.64,-20.71,;11.38,-12.41,;12.41,-13.55,;13.91,-13.23,;14.39,-11.77,;13.36,-10.62,;13.84,-9.16,;11.85,-10.94,)|