pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.83	IUPAC digitized pKa	1	0	Nc1ccc(Cl)cc1[NH3+],Nc1cc(Cl)ccc1[NH3+]	Nc1ccc(Cl)cc1N	mol5977	Nc1ccc(Cl)cc1N
4.3	Datawarrior	1	0	Nc1ccc(Cl)cc1[NH3+],Nc1cc(Cl)ccc1[NH3+]	Nc1ccc(Cl)cc1N	mol5977	Nc1ccc(Cl)cc1N
4.3000002	OCHEM	1	0	Nc1ccc(Cl)cc1[NH3+],Nc1cc(Cl)ccc1[NH3+]	Nc1ccc(Cl)cc1N	mol5977	Nc1ccc(Cl)cc1N
3.75	OCHEM	1	0	Nc1ccc(Cl)cc1[NH3+],Nc1cc(Cl)ccc1[NH3+]	Nc1ccc(Cl)cc1N	mol5977	Nc1ccc(Cl)cc1N