pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.02	IUPAC digitized pKa	1	0	Cc1ccc2ccc(C)[nH+]c2c1	Cc1ccc2ccc(C)nc2c1	mol4414	Cc1ccc2ccc(C)nc2c1
5.01	Datawarrior	1	0	Cc1ccc2ccc(C)[nH+]c2c1	Cc1ccc2ccc(C)nc2c1	mol4414	Cc1ccc2ccc(C)nc2c1
5.0100002	OCHEM	1	0	Cc1ccc2ccc(C)[nH+]c2c1	Cc1ccc2ccc(C)nc2c1	mol4414	Cc1ccc2ccc(C)nc2c1
8.97999954223633	QSARToolbox	1	0	Cc1ccc2ccc(C)[nH+]c2c1	Cc1ccc2ccc(C)nc2c1	mol4414	Cc1ccc2ccc(C)nc2c1
5.19999980926514	QSARToolbox	1	0	Cc1ccc2ccc(C)[nH+]c2c1	Cc1ccc2ccc(C)nc2c1	mol4414	Cc1ccc2ccc(C)nc2c1