pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	IUPAC digitized pKa	1	0	Nc1c2ccccc2[nH+]c2ccccc12,[NH3+]c1c2ccccc2nc2ccccc12	Nc1c2ccccc2nc2ccccc12	mol4976	Nc1c2ccccc2nc2ccccc12
9.99	Datawarrior	1	0	Nc1c2ccccc2[nH+]c2ccccc12,[NH3+]c1c2ccccc2nc2ccccc12	Nc1c2ccccc2nc2ccccc12	mol4976	Nc1c2ccccc2nc2ccccc12
9.9899998	OCHEM	1	0	Nc1c2ccccc2[nH+]c2ccccc12,[NH3+]c1c2ccccc2nc2ccccc12	Nc1c2ccccc2nc2ccccc12	mol4976	Nc1c2ccccc2nc2ccccc12
9.6	Baltruschat ChEMBL	1	0	Nc1c2ccccc2[nH+]c2ccccc12,[NH3+]c1c2ccccc2nc2ccccc12	Nc1c2ccccc2nc2ccccc12	mol4976	Nc1c2ccccc2nc2ccccc12
9.94999980926514	QSARToolbox	1	0	Nc1c2ccccc2[nH+]c2ccccc12,[NH3+]c1c2ccccc2nc2ccccc12	Nc1c2ccccc2nc2ccccc12	mol4976	Nc1c2ccccc2nc2ccccc12