pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	IUPAC digitized pKa	1	0	Clc1c(Cl)c2ccc[nH+]c2c2ncccc12	Clc1c(Cl)c2cccnc2c2ncccc12	mol5082	Clc1c(Cl)c2cccnc2c2ncccc12
3.47000002861023	QSARToolbox	1	0	Clc1c(Cl)c2ccc[nH+]c2c2ncccc12	Clc1c(Cl)c2cccnc2c2ncccc12	mol5082	Clc1c(Cl)c2cccnc2c2ncccc12
3.47	AttenGpKa training set	1	0	Clc1c(Cl)c2ccc[nH+]c2c2ncccc12	Clc1c(Cl)c2cccnc2c2ncccc12	mol5082	Clc1c(Cl)c2cccnc2c2ncccc12