pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.45	Baltruschat ChEMBL	0	-1	O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)NCN2CCF	O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)[N-]CN2CCF	mol19937	O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)NCN2CCF