pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.48	Datawarrior	0	-1	Cc1cccc(NS(=O)(=O)c2ccccc2)c1	Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol15196	Cc1cccc(NS(=O)(=O)c2ccccc2)c1
8.4799995	OCHEM	0	-1	Cc1cccc(NS(=O)(=O)c2ccccc2)c1	Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol15196	Cc1cccc(NS(=O)(=O)c2ccccc2)c1
8.44999980926514	QSARToolbox	0	-1	Cc1cccc(NS(=O)(=O)c2ccccc2)c1	Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol15196	Cc1cccc(NS(=O)(=O)c2ccccc2)c1
8.47	AttenGpKa training set	0	-1	Cc1cccc(NS(=O)(=O)c2ccccc2)c1	Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol15196	Cc1cccc(NS(=O)(=O)c2ccccc2)c1