pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	IUPAC digitized pKa	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
5.17	IUPAC digitized pKa	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
4.94	Datawarrior	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
5.28	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
4.9400001	OCHEM	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
5.32999992370606	QSARToolbox	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
5.17000007629395	QSARToolbox	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
5.30000019073486	QSARToolbox	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C