pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.32	Datawarrior	1	0	CCOC(=O)C[C@H]([NH3+])c1ccccc1	CCOC(=O)C[C@H](N)c1ccccc1	mol13271	CCOC(=O)CC(N)c1ccccc1
8.3199997	OCHEM	1	0	CCOC(=O)C[C@H]([NH3+])c1ccccc1	CCOC(=O)C[C@H](N)c1ccccc1	mol13271	CCOC(=O)CC(N)c1ccccc1
5.67999982833862	QSARToolbox	1	0	CCOC(=O)C[C@H]([NH3+])c1ccccc1	CCOC(=O)C[C@H](N)c1ccccc1	mol13271	CCOC(=O)CC(N)c1ccccc1