pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.01	IUPAC digitized pKa	1	0	[NH3+]Cc1cccc(Cl)c1	NCc1cccc(Cl)c1	mol6255	NCc1cccc(Cl)c1
8.99	IUPAC digitized pKa	1	0	[NH3+]Cc1cccc(Cl)c1	NCc1cccc(Cl)c1	mol6255	NCc1cccc(Cl)c1
9.0	IUPAC digitized pKa	1	0	[NH3+]Cc1cccc(Cl)c1	NCc1cccc(Cl)c1	mol6255	NCc1cccc(Cl)c1
9.10000038146973	QSARToolbox	1	0	[NH3+]Cc1cccc(Cl)c1	NCc1cccc(Cl)c1	mol6255	NCc1cccc(Cl)c1
8.98999977111816	QSARToolbox	1	0	[NH3+]Cc1cccc(Cl)c1	NCc1cccc(Cl)c1	mol6255	NCc1cccc(Cl)c1
8.985	AttenGpKa training set	1	0	[NH3+]Cc1cccc(Cl)c1	NCc1cccc(Cl)c1	mol6255	NCc1cccc(Cl)c1