pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.71000003814697	QSARToolbox	1	0	O=C(O)c1ccc(C[n+]2ccccc2)cc1	O=C([O-])c1ccc(C[n+]2ccccc2)cc1	mol22945	O=C(O)c1ccc(C[n+]2ccccc2)cc1
3.71	AttenGpKa training set	1	0	O=C(O)c1ccc(C[n+]2ccccc2)cc1	O=C([O-])c1ccc(C[n+]2ccccc2)cc1	mol22945	O=C(O)c1ccc(C[n+]2ccccc2)cc1