pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.15	IUPAC digitized pKa	0	-1	CC[C@](N)(CS)c1ccccc1,CC[C@]([NH3+])(C[S-])c1ccccc1	CC[C@](N)(C[S-])c1ccccc1	mol11414	CCC(N)(CS)c1ccccc1
7.65	IUPAC digitized pKa	1	0	CC[C@]([NH3+])(CS)c1ccccc1	CC[C@](N)(CS)c1ccccc1,CC[C@]([NH3+])(C[S-])c1ccccc1	mol11414	CCC(N)(CS)c1ccccc1