pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	OCHEM	1	0	Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CC[NH+](Cc5ncco5)CC4)c(C(F)(F)F)c3)cc21	Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(Cc5ncco5)CC4)c(C(F)(F)F)c3)cc21	mol17996	Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(Cc5ncco5)CC4)c(C(F)(F)F)c3)cc21