pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.5	IUPAC digitized pKa	1	0	NC(=O)c1[nH+]cnc2ccccc12,NC(=O)c1nc[nH+]c2ccccc12	NC(=O)c1ncnc2ccccc12	mol7847	NC(=O)c1ncnc2ccccc12
3.34999990463257	QSARToolbox	1	0	NC(=O)c1[nH+]cnc2ccccc12,NC(=O)c1nc[nH+]c2ccccc12	NC(=O)c1ncnc2ccccc12	mol7847	NC(=O)c1ncnc2ccccc12
3.4	AttenGpKa training set	1	0	NC(=O)c1[nH+]cnc2ccccc12,NC(=O)c1nc[nH+]c2ccccc12	NC(=O)c1ncnc2ccccc12	mol7847	NC(=O)c1ncnc2ccccc12