pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53	Datawarrior	0	-1	CC(=O)Nc1nnn[nH]1	CC(=O)Nc1nnn[n-]1	mol13674	CC(=O)Nc1nnn[nH]1
4.5300002	OCHEM	0	-1	CC(=O)Nc1nnn[nH]1	CC(=O)Nc1nnn[n-]1	mol13674	CC(=O)Nc1nnn[nH]1
4.49	AttenGpKa training set	0	-1	CC(=O)Nc1nnn[nH]1	CC(=O)Nc1nnn[n-]1	mol13674	CC(=O)Nc1nnn[nH]1