pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.87	IUPAC digitized pKa	1	0	ClC(Cl)c1ncc2ccccc2[nH+]1,ClC(Cl)c1nc2ccccc2c[nH+]1	ClC(Cl)c1ncc2ccccc2n1	mol7869	ClC(Cl)c1ncc2ccccc2n1
-0.870000004768372	QSARToolbox	1	0	ClC(Cl)c1ncc2ccccc2[nH+]1,ClC(Cl)c1nc2ccccc2c[nH+]1	ClC(Cl)c1ncc2ccccc2n1	mol7869	ClC(Cl)c1ncc2ccccc2n1