pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	1	0	Nc1cc(-c2ccccc2)[nH+]c2ccccc12,[NH3+]c1cc(-c2ccccc2)nc2ccccc12	Nc1cc(-c2ccccc2)nc2ccccc12	mol15280	Nc1cc(-c2ccccc2)nc2ccccc12
8.1999998	OCHEM	1	0	Nc1cc(-c2ccccc2)[nH+]c2ccccc12,[NH3+]c1cc(-c2ccccc2)nc2ccccc12	Nc1cc(-c2ccccc2)nc2ccccc12	mol15280	Nc1cc(-c2ccccc2)nc2ccccc12
8.19999980926514	QSARToolbox	1	0	Nc1cc(-c2ccccc2)[nH+]c2ccccc12,[NH3+]c1cc(-c2ccccc2)nc2ccccc12	Nc1cc(-c2ccccc2)nc2ccccc12	mol15280	Nc1cc(-c2ccccc2)nc2ccccc12