pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.94	IUPAC digitized pKa	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N
9.49	IUPAC digitized pKa	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N
9.12	IUPAC digitized pKa	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N
9.17	Datawarrior	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N
9.51	OCHEM	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N
9.1700001	OCHEM	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N
9.48999977111816	QSARToolbox	1	0	CCc1cnccc1[NH3+],CCc1c[nH+]ccc1N	CCc1cnccc1N	mol3611	CCc1cnccc1N