pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46	IUPAC digitized pKa	1	0	CSc1cccc2ccc[nH+]c12	CSc1cccc2cccnc12	mol4461	CSc1cccc2cccnc12
3.5	IUPAC digitized pKa	1	0	CSc1cccc2ccc[nH+]c12	CSc1cccc2cccnc12	mol4461	CSc1cccc2cccnc12
3.53	IUPAC digitized pKa	1	0	CSc1cccc2ccc[nH+]c12	CSc1cccc2cccnc12	mol4461	CSc1cccc2cccnc12