pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.78	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@@H]1C(=O)OC[C@H]1Cc1c[nH+]cn1C	CC[C@@H]1C(=O)OC[C@H]1Cc1cncn1C	mol21848	CCC1C(=O)OCC1Cc1cncn1C
7.0799999	OCHEM	1	0	CC[C@@H]1C(=O)OC[C@H]1Cc1c[nH+]cn1C	CC[C@@H]1C(=O)OC[C@H]1Cc1cncn1C	mol21848	CCC1C(=O)OCC1Cc1cncn1C