pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	0	-1	CC(C)Nc1nc(O)nc(NC(C)C)n1	CC(C)Nc1nc([O-])nc(NC(C)C)n1	mol7634	CC(C)Nc1nc(O)nc(NC(C)C)n1
5.2	IUPAC digitized pKa	1	0	CC(C)Nc1nc(O)nc(NC(C)C)[nH+]1,CC(C)Nc1nc(O)[nH+]c(NC(C)C)n1,CC(C)Nc1nc(O)nc([NH2+]C(C)C)n1	CC(C)Nc1nc(O)nc(NC(C)C)n1	mol7634	CC(C)Nc1nc(O)nc(NC(C)C)n1
5.01	AttenGpKa training set	1	0	CC(C)Nc1nc(O)nc(NC(C)C)[nH+]1,CC(C)Nc1nc(O)[nH+]c(NC(C)C)n1,CC(C)Nc1nc(O)nc([NH2+]C(C)C)n1	CC(C)Nc1nc(O)nc(NC(C)C)n1	mol7634	CC(C)Nc1nc(O)nc(NC(C)C)n1