pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.52	IUPAC digitized pKa	1	0	CC(=O)Nc1c(C)nc[nH+]c1N,CC(=O)Nc1c(N)nc[nH+]c1C,CC(=O)Nc1c(C)ncnc1[NH3+]	CC(=O)Nc1c(C)ncnc1N	mol7101	CC(=O)Nc1c(C)ncnc1N
4.57	AttenGpKa training set	1	0	CC(=O)Nc1c(C)nc[nH+]c1N,CC(=O)Nc1c(N)nc[nH+]c1C,CC(=O)Nc1c(C)ncnc1[NH3+]	CC(=O)Nc1c(C)ncnc1N	mol7101	CC(=O)Nc1c(C)ncnc1N