pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.68	IUPAC digitized pKa	1	0	CN(C(=O)c1ccccc1)c1cc[nH+]cc1	CN(C(=O)c1ccccc1)c1ccncc1	mol3752	CN(C(=O)c1ccccc1)c1ccncc1
4.6799998	OCHEM	1	0	CN(C(=O)c1ccccc1)c1cc[nH+]cc1	CN(C(=O)c1ccccc1)c1ccncc1	mol3752	CN(C(=O)c1ccccc1)c1ccncc1