pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.05	IUPAC digitized pKa	1	0	COC(=O)C[C@@H]([NH3+])c1ccccc1	COC(=O)C[C@@H](N)c1ccccc1	mol8574	COC(=O)C[C@@H](N)c1ccccc1
6.73	IUPAC digitized pKa	1	0	COC(=O)C[C@@H]([NH3+])c1ccccc1	COC(=O)C[C@@H](N)c1ccccc1	mol8574	COC(=O)C[C@@H](N)c1ccccc1
6.41	IUPAC digitized pKa	1	0	COC(=O)C[C@@H]([NH3+])c1ccccc1	COC(=O)C[C@@H](N)c1ccccc1	mol8574	COC(=O)C[C@@H](N)c1ccccc1
7.0	IUPAC digitized pKa	1	0	COC(=O)C[C@@H]([NH3+])c1ccccc1	COC(=O)C[C@@H](N)c1ccccc1	mol8574	COC(=O)C[C@@H](N)c1ccccc1
7.18	IUPAC digitized pKa	1	0	COC(=O)C[C@@H]([NH3+])c1ccccc1	COC(=O)C[C@@H](N)c1ccccc1	mol8574	COC(=O)C[C@@H](N)c1ccccc1