pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33	IUPAC digitized pKa	1	0	O=C(Nc1cccc[nH+]1)c1ccccc1	O=C(Nc1ccccn1)c1ccccc1	mol3622	O=C(Nc1ccccn1)c1ccccc1
3.3299999	OCHEM	1	0	O=C(Nc1cccc[nH+]1)c1ccccc1	O=C(Nc1ccccn1)c1ccccc1	mol3622	O=C(Nc1ccccn1)c1ccccc1