pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	IUPAC digitized pKa	0	-1	CCOC(OCC)c1cc(O)ncn1	CCOC(OCC)c1cc([O-])ncn1	mol4151	CCOC(OCC)c1cc(O)ncn1
1.5	IUPAC digitized pKa	1	0	CCOC(OCC)c1cc(O)nc[nH+]1,CCOC(OCC)c1cc(O)[nH+]cn1	CCOC(OCC)c1cc(O)ncn1	mol4151	CCOC(OCC)c1cc(O)ncn1