pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59	Baltruschat ChEMBL	1	0	Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c([nH+]c(C)n3C)c2O1	Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1	mol21628	Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1