pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	OCHEM	1	0	[NH3+]c1c2c(nc3ccccc13)-c1ccccc1CC2,Nc1c2c([nH+]c3ccccc13)-c1ccccc1CC2	Nc1c2c(nc3ccccc13)-c1ccccc1CC2	mol383	Nc1c2c(nc3ccccc13)-c1ccccc1CC2