pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	IUPAC digitized pKa	1	0	CSc1cccc2c(C)cc[nH+]c12	CSc1cccc2c(C)ccnc12	mol7764	CSc1cccc2c(C)ccnc12