pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.03	IUPAC digitized pKa	1	0	CC(C)Nc1nccc[nH+]1,CC(C)[NH2+]c1ncccn1	CC(C)Nc1ncccn1	mol7479	CC(C)Nc1ncccn1
4.05	AttenGpKa training set	1	0	CC(C)Nc1nccc[nH+]1,CC(C)[NH2+]c1ncccn1	CC(C)Nc1ncccn1	mol7479	CC(C)Nc1ncccn1