pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	Datawarrior	1	0	COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O	COC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O	mol14349	COC(=O)C(Cc1c[nH]cn1)NC(C)=O
6.3000002	OCHEM	1	0	COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O	COC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O	mol14349	COC(=O)C(Cc1c[nH]cn1)NC(C)=O