pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97	AttenGpKa training set	0	-1	O=C(CS)OCCOC(=O)CS	O=C(C[S-])OCCOC(=O)CS	mol28243	O=C(CS)OCCOC(=O)CS
7.7	AttenGpKa training set	0	-1	O=C(CS)OCCOC(=O)CS	O=C(C[S-])OCCOC(=O)CS	mol28243	O=C(CS)OCCOC(=O)CS