pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Datawarrior	1	0	COc1ccc2c(c1)CC[NH2+]2	COc1ccc2c(c1)CCN2	mol14023	COc1ccc2c(c1)CCN2
6.0999999	OCHEM	1	0	COc1ccc2c(c1)CC[NH2+]2	COc1ccc2c(c1)CCN2	mol14023	COc1ccc2c(c1)CCN2