pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	0	-1	Cc1ccc(S(=O)(=O)NO)cc1	Cc1ccc(S(=O)(=O)N[O-])cc1,Cc1ccc(S(=O)(=O)[N-]O)cc1	mol31429	Cc1ccc(S(=O)(=O)NO)cc1