pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	AttenGpKa training set	0	-1	Nc1c(S(=O)(=O)O)ccc2c1C(=O)c1ccccc1C2=O	Nc1c(S(=O)(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O	mol28650	Nc1c(S(=O)(=O)O)ccc2c1C(=O)c1ccccc1C2=O