pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.61	IUPAC digitized pKa	1	0	CCOC(=O)CNc1nc(Cl)ncc1[NH3+],CCOC(=O)CNc1nc(Cl)[nH+]cc1N,CCOC(=O)C[NH2+]c1nc(Cl)ncc1N,CCOC(=O)CNc1[nH+]c(Cl)ncc1N	CCOC(=O)CNc1nc(Cl)ncc1N	mol4066	CCOC(=O)CNc1nc(Cl)ncc1N