pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	0	-1	O=C1SCC(O)=C1O	O=C1SCC(O)=C1[O-],O=C1SCC([O-])=C1O	mol31130	O=C1SCC(O)=C1O
11.7	AttenGpKa training set	-1	-2	O=C1SCC(O)=C1[O-],O=C1SCC([O-])=C1O	O=C1SCC([O-])=C1[O-]	mol31130	O=C1SCC(O)=C1O