pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.97	IUPAC digitized pKa	0	-1	c1ccc(CSc2nc[nH]c2-c2ccccc2)cc1	c1ccc(CSc2nc[n-]c2-c2ccccc2)cc1	mol6643	c1ccc(CSc2nc[nH]c2-c2ccccc2)cc1
5.43	IUPAC digitized pKa	1	0	c1ccc(CSc2[nH+]c[nH]c2-c2ccccc2)cc1	c1ccc(CSc2nc[nH]c2-c2ccccc2)cc1	mol6643	c1ccc(CSc2nc[nH]c2-c2ccccc2)cc1