pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89999961853027	QSARToolbox	-1	-2	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC[N-]S2(=O)=O,[NH-]S(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O	[NH-]S(=O)(=O)c1cc2c(cc1C(F)(F)F)NC[N-]S2(=O)=O	mol29883	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
8.9	AttenGpKa training set	-1	-2	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC[N-]S2(=O)=O,[NH-]S(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O	[NH-]S(=O)(=O)c1cc2c(cc1C(F)(F)F)NC[N-]S2(=O)=O	mol29883	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
10.7	AttenGpKa training set	-1	-2	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC[N-]S2(=O)=O,[NH-]S(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O	[NH-]S(=O)(=O)c1cc2c(cc1C(F)(F)F)NC[N-]S2(=O)=O	mol29883	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O