pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	Datawarrior	1	0	CCCCC[NH2+]Cc1ccccc1O	CCCCCNCc1ccccc1O,CCCCC[NH2+]Cc1ccccc1[O-]	mol13281	CCCCCNCc1ccccc1O
8.6499996	OCHEM	1	0	CCCCC[NH2+]Cc1ccccc1O	CCCCCNCc1ccccc1O,CCCCC[NH2+]Cc1ccccc1[O-]	mol13281	CCCCCNCc1ccccc1O