pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.25	QSARToolbox	1	0	Clc1ccc2c[nH+]cnc2c1,Clc1ccc2cnc[nH+]c2c1	Clc1ccc2cncnc2c1	mol4610	Clc1ccc2cncnc2c1
3.29	AttenGpKa training set	1	0	Clc1ccc2c[nH+]cnc2c1,Clc1ccc2cnc[nH+]c2c1	Clc1ccc2cncnc2c1	mol4610	Clc1ccc2cncnc2c1