pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	IUPAC digitized pKa	1	0	CSc1nc(NC(C)C)nc(NC(C)C)[nH+]1,CSc1nc(NC(C)C)[nH+]c(NC(C)C)n1,CSc1nc(NC(C)C)nc([NH2+]C(C)C)n1	CSc1nc(NC(C)C)nc(NC(C)C)n1	mol7615	CSc1nc(NC(C)C)nc(NC(C)C)n1
4.1	AttenGpKa training set	1	0	CSc1nc(NC(C)C)nc(NC(C)C)[nH+]1,CSc1nc(NC(C)C)[nH+]c(NC(C)C)n1,CSc1nc(NC(C)C)nc([NH2+]C(C)C)n1	CSc1nc(NC(C)C)nc(NC(C)C)n1	mol7615	CSc1nc(NC(C)C)nc(NC(C)C)n1