pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	IUPAC digitized pKa	0	-1	O=c1nccc2n1CCN2	O=c1nccc2n1CC[N-]2	mol7997	O=c1nccc2n1CCN2
12.5	AttenGpKa training set	0	-1	O=c1nccc2n1CCN2	O=c1nccc2n1CC[N-]2	mol7997	O=c1nccc2n1CCN2
6.99	IUPAC digitized pKa	1	0	O=c1[nH+]ccc2n1CCN2,O=c1nccc2n1CC[NH2+]2	O=c1nccc2n1CCN2	mol7997	O=c1nccc2n1CCN2