pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.98	Baltruschat ChEMBL	-1	-2	[O-][C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1	[O-][C@H](CNC[C@@H]([O-])[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1	mol20874	O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1