pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.89	IUPAC digitized pKa	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.99	IUPAC digitized pKa	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.97	IUPAC digitized pKa	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.98	Datawarrior	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.92000007629395	QSARToolbox	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.8899998664856	QSARToolbox	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.96999979019165	QSARToolbox	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
6.11999988555908	QSARToolbox	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
6.0	QSARToolbox	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
5.98999977111816	QSARToolbox	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1