pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	0	-1	Oc1cnnc2ccccc12	[O-]c1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12
9.27	Datawarrior	0	-1	Oc1cnnc2ccccc12	[O-]c1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12
9.2700005	OCHEM	0	-1	Oc1cnnc2ccccc12	[O-]c1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12
9.27000045776367	QSARToolbox	0	-1	Oc1cnnc2ccccc12	[O-]c1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12
-0.35	Datawarrior	1	0	Oc1cn[nH+]c2ccccc12,Oc1c[nH+]nc2ccccc12	Oc1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12
-0.34999999	OCHEM	1	0	Oc1cn[nH+]c2ccccc12,Oc1c[nH+]nc2ccccc12	Oc1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12