pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.99000000953674	QSARToolbox	1	0	COc1ccc2[nH]c3c4ccc(Cl)cc4[nH+]cc3c2c1	COc1ccc2[nH]c3c4ccc(Cl)cc4ncc3c2c1	mol38060	COc1ccc2[nH]c3c4ccc(Cl)cc4ncc3c2c1