pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.86	IUPAC digitized pKa	1	0	CN1CCCSC1=[NH+]c1ccccc1	CN1CCCSC1=Nc1ccccc1	mol7550	CN1CCCSC1=Nc1ccccc1
