pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.52	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.61	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.45	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.35	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.28	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.59	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.818	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.721	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.623	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.527	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.437	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.354	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.27	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.189	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.111	IUPAC digitized pKa	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.51	Datawarrior	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.53	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.5100002	OCHEM	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.44	AttenGpKa training set	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N