pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	Datawarrior	0	-1	COc1cccc(NS(=O)(=O)c2ccccc2)c1	COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol14967	COc1cccc(NS(=O)(=O)c2ccccc2)c1
7.9499998	OCHEM	0	-1	COc1cccc(NS(=O)(=O)c2ccccc2)c1	COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol14967	COc1cccc(NS(=O)(=O)c2ccccc2)c1
7.92999982833862	QSARToolbox	0	-1	COc1cccc(NS(=O)(=O)c2ccccc2)c1	COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol14967	COc1cccc(NS(=O)(=O)c2ccccc2)c1
7.93	AttenGpKa training set	0	-1	COc1cccc(NS(=O)(=O)c2ccccc2)c1	COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol14967	COc1cccc(NS(=O)(=O)c2ccccc2)c1