pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.60000002384186	QSARToolbox	0	-1	COC(S)=C1c2ccccc2-c2ccccc21	COC([S-])=C1c2ccccc2-c2ccccc21	mol31249	COC(S)=C1c2ccccc2-c2ccccc21
1.6	AttenGpKa training set	0	-1	COC(S)=C1c2ccccc2-c2ccccc21	COC([S-])=C1c2ccccc2-c2ccccc21	mol31249	COC(S)=C1c2ccccc2-c2ccccc21