pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	OCHEM	0	-1	Oc1c2ccccc2nc2sc(Cl)nc12	[O-]c1c2ccccc2nc2sc(Cl)nc12	mol17941	Oc1c2ccccc2nc2sc(Cl)nc12
9.5	AttenGpKa training set	0	-1	Oc1c2ccccc2nc2sc(Cl)nc12	[O-]c1c2ccccc2nc2sc(Cl)nc12	mol17941	Oc1c2ccccc2nc2sc(Cl)nc12
0.5	AttenGpKa training set	1	0	Oc1c2ccccc2nc2sc(Cl)[nH+]c12,Oc1c2ccccc2[nH+]c2sc(Cl)nc12	Oc1c2ccccc2nc2sc(Cl)nc12	mol17941	Oc1c2ccccc2nc2sc(Cl)nc12