pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.11	IUPAC digitized pKa	1	0	CNc1ccc(Cl)c[nH+]1,C[NH2+]c1ccc(Cl)cn1	CNc1ccc(Cl)cn1	mol6404	CNc1ccc(Cl)cn1
5.16	AttenGpKa training set	1	0	CNc1ccc(Cl)c[nH+]1,C[NH2+]c1ccc(Cl)cn1	CNc1ccc(Cl)cn1	mol6404	CNc1ccc(Cl)cn1