pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59999990463257	QSARToolbox	0	-1	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C	CC(=O)Nc1cc([N-]S(=O)(=O)C(F)(F)F)c(C)cc1C	mol29825	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C
4.78999996185303	QSARToolbox	0	-1	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C	CC(=O)Nc1cc([N-]S(=O)(=O)C(F)(F)F)c(C)cc1C	mol29825	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C
4.695	AttenGpKa training set	0	-1	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C	CC(=O)Nc1cc([N-]S(=O)(=O)C(F)(F)F)c(C)cc1C	mol29825	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C