pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	IUPAC digitized pKa	1	0	CC(C)Sc1ccc([NH3+])cc1	CC(C)Sc1ccc(N)cc1	mol1691	CC(C)Sc1ccc(N)cc1
3.89000010490417	QSARToolbox	1	0	CC(C)Sc1ccc([NH3+])cc1	CC(C)Sc1ccc(N)cc1	mol1691	CC(C)Sc1ccc(N)cc1