pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.699	IUPAC digitized pKa	0	-1	Cc1cc(N)cc(C)c1C(=O)O,Cc1cc([NH3+])cc(C)c1C(=O)[O-]	Cc1cc(N)cc(C)c1C(=O)[O-]	mol8469	Cc1cc(N)cc(C)c1C(=O)O
4.9	AttenGpKa training set	0	-1	Cc1cc(N)cc(C)c1C(=O)O,Cc1cc([NH3+])cc(C)c1C(=O)[O-]	Cc1cc(N)cc(C)c1C(=O)[O-]	mol8469	Cc1cc(N)cc(C)c1C(=O)O
2.488	IUPAC digitized pKa	1	0	Cc1cc([NH3+])cc(C)c1C(=O)O	Cc1cc(N)cc(C)c1C(=O)O,Cc1cc([NH3+])cc(C)c1C(=O)[O-]	mol8469	Cc1cc(N)cc(C)c1C(=O)O
2.65	AttenGpKa training set	1	0	Cc1cc([NH3+])cc(C)c1C(=O)O	Cc1cc(N)cc(C)c1C(=O)O,Cc1cc([NH3+])cc(C)c1C(=O)[O-]	mol8469	Cc1cc(N)cc(C)c1C(=O)O