pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.49	IUPAC digitized pKa	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.53	IUPAC digitized pKa	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.74	Datawarrior	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.7	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.69	OCHEM	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.7399998	OCHEM	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.51	OCHEM	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.48999977111816	QSARToolbox	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.52999973297119	QSARToolbox	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.97000026702881	QSARToolbox	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.505	AttenGpKa training set	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN