pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	Datawarrior	1	0	CC[NH+](CC)Cc1c(C)cccc1O	CC[NH+](CC)Cc1c(C)cccc1[O-],CCN(CC)Cc1c(C)cccc1O	mol13283	CCN(CC)Cc1c(C)cccc1O
8.6499996	OCHEM	1	0	CC[NH+](CC)Cc1c(C)cccc1O	CC[NH+](CC)Cc1c(C)cccc1[O-],CCN(CC)Cc1c(C)cccc1O	mol13283	CCN(CC)Cc1c(C)cccc1O