pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.16	Datawarrior	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
5.0	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
5.1599998	OCHEM	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
5.05999994277954	QSARToolbox	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
5.15999984741211	QSARToolbox	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
3.69000005722046	QSARToolbox	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
5.06	AttenGpKa training set	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1