pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	Datawarrior	0	-1	NCC(=O)c1ccc(O)cc1,[NH3+]CC(=O)c1ccc([O-])cc1	NCC(=O)c1ccc([O-])cc1	mol14211	NCC(=O)c1ccc(O)cc1
8.0500002	OCHEM	0	-1	NCC(=O)c1ccc(O)cc1,[NH3+]CC(=O)c1ccc([O-])cc1	NCC(=O)c1ccc([O-])cc1	mol14211	NCC(=O)c1ccc(O)cc1
9.3	AttenGpKa training set	0	-1	NCC(=O)c1ccc(O)cc1,[NH3+]CC(=O)c1ccc([O-])cc1	NCC(=O)c1ccc([O-])cc1	mol14211	NCC(=O)c1ccc(O)cc1
7.3	AttenGpKa training set	0	-1	NCC(=O)c1ccc(O)cc1,[NH3+]CC(=O)c1ccc([O-])cc1	NCC(=O)c1ccc([O-])cc1	mol14211	NCC(=O)c1ccc(O)cc1