pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.76000022888184	QSARToolbox	1	0	C[C@@H](NC(=O)c1ccccc1)c1[nH]c2ccccc2[nH+]1	C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1	mol34802	CC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
4.86999988555908	QSARToolbox	1	0	C[C@@H](NC(=O)c1ccccc1)c1[nH]c2ccccc2[nH+]1	C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1	mol34802	CC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1