pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48000001907349	QSARToolbox	0	-1	CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc([N+](=O)[O-])cc1	Cc1nn(-c2ccccc2)c(=O)[c-]1C(=O)c1ccc([N+](=O)[O-])cc1	mol30332	CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc([N+](=O)[O-])cc1
4.48	AttenGpKa training set	0	-1	CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc([N+](=O)[O-])cc1	Cc1nn(-c2ccccc2)c(=O)[c-]1C(=O)c1ccc([N+](=O)[O-])cc1	mol30332	CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc([N+](=O)[O-])cc1