pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.23	Datawarrior	1	0	CCOC(=O)C[C@@H]([NH2+]C)c1ccccc1	CCOC(=O)C[C@@H](NC)c1ccccc1	mol14328	CCOC(=O)CC(NC)c1ccccc1
8.2299995	OCHEM	1	0	CCOC(=O)C[C@@H]([NH2+]C)c1ccccc1	CCOC(=O)C[C@@H](NC)c1ccccc1	mol14328	CCOC(=O)CC(NC)c1ccccc1
5.76999998092651	QSARToolbox	1	0	CCOC(=O)C[C@@H]([NH2+]C)c1ccccc1	CCOC(=O)C[C@@H](NC)c1ccccc1	mol14328	CCOC(=O)CC(NC)c1ccccc1