pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	AttenGpKa training set	0	-1	Cc1cc(NS(=O)(=O)c2ccc(N)cc2)on1	Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)on1	mol28469	Cc1cc(NS(=O)(=O)c2ccc(N)cc2)on1