pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.68	AttenGpKa training set	1	0	Cn1c([N+](=O)[O-])c[nH+]c1C1CCCCC1	Cn1c([N+](=O)[O-])cnc1C1CCCCC1	mol25524	Cn1c([N+](=O)[O-])cnc1C1CCCCC1