pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.43	AttenGpKa training set	1	0	Cc1ccc([S@@+]([O-])[NH2+]c2ccccc2)cc1	Cc1ccc([S@@+]([O-])Nc2ccccc2)cc1	mol28279	Cc1ccc([S+]([O-])Nc2ccccc2)cc1