pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52999997138977	QSARToolbox	1	0	Clc1ccc2[nH+]cncc2c1,Clc1ccc2nc[nH+]cc2c1	Clc1ccc2ncncc2c1	mol4609	Clc1ccc2ncncc2c1
3.55	AttenGpKa training set	1	0	Clc1ccc2[nH+]cncc2c1,Clc1ccc2nc[nH+]cc2c1	Clc1ccc2ncncc2c1	mol4609	Clc1ccc2ncncc2c1