pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.83	OCHEM	0	-1	CCCCOP(=S)(S)OCCCC	""	mol10817	CCCCOP(=S)(S)OCCCC
0.22	AttenGpKa training set	0	-1	CCCCOP(=S)(S)OCCCC	""	mol10817	CCCCOP(=S)(S)OCCCC