pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.03	Datawarrior	1	0	c1ccc(C(OCC[NH+]2CCCCC2)c2ccccc2)cc1	c1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1	mol15041	c1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1
8.0299997	OCHEM	1	0	c1ccc(C(OCC[NH+]2CCCCC2)c2ccccc2)cc1	c1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1	mol15041	c1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1