pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.25	AttenGpKa training set	0	-1	Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2)cc1	Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccccc2)cc1	mol28791	Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2)cc1
4.1	AttenGpKa training set	1	0	Cc1ccc(S(=O)(=O)Nc2ccccc2/C=[NH+]/c2ccccc2)cc1,Cc1ccc(S(=O)(=O)[NH2+]c2ccccc2/C=N/c2ccccc2)cc1	Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2)cc1	mol28791	Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2)cc1