pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Datawarrior	1	0	c1ccc([C@@H]2CCC[NH2+]2)cc1	c1ccc([C@@H]2CCCN2)cc1	mol3890	c1ccc(C2CCCN2)cc1
9.4	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc([C@@H]2CCC[NH2+]2)cc1	c1ccc([C@@H]2CCCN2)cc1	mol3890	c1ccc(C2CCCN2)cc1
9.6000004	OCHEM	1	0	c1ccc([C@@H]2CCC[NH2+]2)cc1	c1ccc([C@@H]2CCCN2)cc1	mol3890	c1ccc(C2CCCN2)cc1