pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	OCHEM	1	0	Cc1ccc(/C(=C\C[NH+]2CCCC2)c2ccccn2)cc1	Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1	mol399	Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
9.25	OCHEM	1	0	Cc1ccc(/C(=C\C[NH+]2CCCC2)c2ccccn2)cc1	Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1	mol399	Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1