pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.20000004768372	QSARToolbox	1	0	Clc1cc(Cl)c2nc[nH+]cc2c1,Clc1cc(Cl)c2[nH+]cncc2c1	Clc1cc(Cl)c2ncncc2c1	mol4612	Clc1cc(Cl)c2ncncc2c1
3.06	AttenGpKa training set	1	0	Clc1cc(Cl)c2nc[nH+]cc2c1,Clc1cc(Cl)c2[nH+]cncc2c1	Clc1cc(Cl)c2ncncc2c1	mol4612	Clc1cc(Cl)c2ncncc2c1