pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.68	IUPAC digitized pKa	1	0	Nc1cc(I)ccc1[NH3+],Nc1ccc(I)cc1[NH3+]	Nc1ccc(I)cc1N	mol5983	Nc1ccc(I)cc1N
3.625	OCHEM	1	0	Nc1cc(I)ccc1[NH3+],Nc1ccc(I)cc1[NH3+]	Nc1ccc(I)cc1N	mol5983	Nc1ccc(I)cc1N
3.6800000667572	QSARToolbox	1	0	Nc1cc(I)ccc1[NH3+],Nc1ccc(I)cc1[NH3+]	Nc1ccc(I)cc1N	mol5983	Nc1ccc(I)cc1N
3.40000009536743	QSARToolbox	1	0	Nc1cc(I)ccc1[NH3+],Nc1ccc(I)cc1[NH3+]	Nc1ccc(I)cc1N	mol5983	Nc1ccc(I)cc1N
3.5699999332428	QSARToolbox	1	0	Nc1cc(I)ccc1[NH3+],Nc1ccc(I)cc1[NH3+]	Nc1ccc(I)cc1N	mol5983	Nc1ccc(I)cc1N