pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.82	OCHEM	0	-1	CC(C)OP(=S)(S)OC(C)C	""	mol9929	CC(C)OP(=S)(S)OC(C)C
0.0	AttenGpKa training set	0	-1	CC(C)OP(=S)(S)OC(C)C	""	mol9929	CC(C)OP(=S)(S)OC(C)C