pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	IUPAC digitized pKa	1	0	CNc1cc(OC)nc[nH+]1,C[NH2+]c1cc(OC)ncn1,CNc1cc(OC)[nH+]cn1	CNc1cc(OC)ncn1	mol4212	CNc1cc(OC)ncn1
4.23	AttenGpKa training set	1	0	CNc1cc(OC)nc[nH+]1,C[NH2+]c1cc(OC)ncn1,CNc1cc(OC)[nH+]cn1	CNc1cc(OC)ncn1	mol4212	CNc1cc(OC)ncn1