pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	Datawarrior	1	0	CCCCCCCCCC[NH2+]c1ccccc1	CCCCCCCCCCNc1ccccc1	mol15252	CCCCCCCCCCNc1ccccc1
4.5599999	OCHEM	1	0	CCCCCCCCCC[NH2+]c1ccccc1	CCCCCCCCCCNc1ccccc1	mol15252	CCCCCCCCCCNc1ccccc1
4.55999994277954	QSARToolbox	1	0	CCCCCCCCCC[NH2+]c1ccccc1	CCCCCCCCCCNc1ccccc1	mol15252	CCCCCCCCCCNc1ccccc1