pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.75	IUPAC digitized pKa	1	0	CCOC(=O)CNC(=O)C[NH3+]	CCOC(=O)CNC(=O)CN	mol5389	CCOC(=O)CNC(=O)CN
7.68	IUPAC digitized pKa	1	0	CCOC(=O)CNC(=O)C[NH3+]	CCOC(=O)CNC(=O)CN	mol5389	CCOC(=O)CNC(=O)CN
7.71	IUPAC digitized pKa	1	0	CCOC(=O)CNC(=O)C[NH3+]	CCOC(=O)CNC(=O)CN	mol5389	CCOC(=O)CNC(=O)CN
7.92	IUPAC digitized pKa	1	0	CCOC(=O)CNC(=O)C[NH3+]	CCOC(=O)CNC(=O)CN	mol5389	CCOC(=O)CNC(=O)CN
7.76	IUPAC digitized pKa	1	0	CCOC(=O)CNC(=O)C[NH3+]	CCOC(=O)CNC(=O)CN	mol5389	CCOC(=O)CNC(=O)CN
7.915	AttenGpKa training set	1	0	CCOC(=O)CNC(=O)C[NH3+]	CCOC(=O)CNC(=O)CN	mol5389	CCOC(=O)CNC(=O)CN