pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67	Datawarrior	1	0	[NH3+]c1ccc2c(c1)-c1c(ccc3ccccc13)C2	Nc1ccc2c(c1)-c1c(ccc3ccccc13)C2	mol14894	Nc1ccc2c(c1)-c1c(ccc3ccccc13)C2
4.6700001	OCHEM	1	0	[NH3+]c1ccc2c(c1)-c1c(ccc3ccccc13)C2	Nc1ccc2c(c1)-c1c(ccc3ccccc13)C2	mol14894	Nc1ccc2c(c1)-c1c(ccc3ccccc13)C2
4.67000007629395	QSARToolbox	1	0	[NH3+]c1ccc2c(c1)-c1c(ccc3ccccc13)C2	Nc1ccc2c(c1)-c1c(ccc3ccccc13)C2	mol14894	Nc1ccc2c(c1)-c1c(ccc3ccccc13)C2