pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.42	IUPAC digitized pKa	0	-1	Oc1cccc2nnccc12	[O-]c1cccc2nnccc12	mol2476	Oc1cccc2nnccc12
7.4	Datawarrior	0	-1	Oc1cccc2nnccc12	[O-]c1cccc2nnccc12	mol2476	Oc1cccc2nnccc12
7.4000001	OCHEM	0	-1	Oc1cccc2nnccc12	[O-]c1cccc2nnccc12	mol2476	Oc1cccc2nnccc12
1.9	IUPAC digitized pKa	1	0	Oc1cccc2[nH+]nccc12,Oc1cccc2n[nH+]ccc12	Oc1cccc2nnccc12	mol2476	Oc1cccc2nnccc12
1.92	Datawarrior	1	0	Oc1cccc2[nH+]nccc12,Oc1cccc2n[nH+]ccc12	Oc1cccc2nnccc12	mol2476	Oc1cccc2nnccc12
1.91999995708466	QSARToolbox	1	0	Oc1cccc2[nH+]nccc12,Oc1cccc2n[nH+]ccc12	Oc1cccc2nnccc12	mol2476	Oc1cccc2nnccc12