pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.15	IUPAC digitized pKa	1	0	CC(C)(C)c1[nH+]ccs1	CC(C)(C)c1nccs1	mol7551	CC(C)(C)c1nccs1
3.0	IUPAC digitized pKa	1	0	CC(C)(C)c1[nH+]ccs1	CC(C)(C)c1nccs1	mol7551	CC(C)(C)c1nccs1