pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Datawarrior	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.27	OCHEM	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.3000002	OCHEM	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.19	OCHEM	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.2	Baltruschat ChEMBL	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.30000019073486	QSARToolbox	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.36	AttenGpKa training set	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1