pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Datawarrior	1	0	CCOC(=O)[C@@H](C)[NH3+]	CCOC(=O)[C@@H](C)N	mol12487	CCOC(=O)C(C)N
7.8000002	OCHEM	1	0	CCOC(=O)[C@@H](C)[NH3+]	CCOC(=O)[C@@H](C)N	mol12487	CCOC(=O)C(C)N