pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.69	IUPAC digitized pKa	1	0	[NH3+]c1cc(Cl)cc2ccccc12	Nc1cc(Cl)cc2ccccc12	mol1192	Nc1cc(Cl)cc2ccccc12
2.69000005722046	QSARToolbox	1	0	[NH3+]c1cc(Cl)cc2ccccc12	Nc1cc(Cl)cc2ccccc12	mol1192	Nc1cc(Cl)cc2ccccc12
2.66	AttenGpKa training set	1	0	[NH3+]c1cc(Cl)cc2ccccc12	Nc1cc(Cl)cc2ccccc12	mol1192	Nc1cc(Cl)cc2ccccc12