pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.24	IUPAC digitized pKa	0	-1	Oc1ccc2nc3ccccc3nc2c1	[O-]c1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
7.5	IUPAC digitized pKa	0	-1	Oc1ccc2nc3ccccc3nc2c1	[O-]c1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
7.45	Datawarrior	0	-1	Oc1ccc2nc3ccccc3nc2c1	[O-]c1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
7.4499998	OCHEM	0	-1	Oc1ccc2nc3ccccc3nc2c1	[O-]c1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
2.47	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]c3ccccc3nc2c1,Oc1ccc2nc3ccccc3[nH+]c2c1	Oc1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
2.39	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]c3ccccc3nc2c1,Oc1ccc2nc3ccccc3[nH+]c2c1	Oc1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
2.31	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]c3ccccc3nc2c1,Oc1ccc2nc3ccccc3[nH+]c2c1	Oc1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
2.23	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]c3ccccc3nc2c1,Oc1ccc2nc3ccccc3[nH+]c2c1	Oc1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
2.6	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]c3ccccc3nc2c1,Oc1ccc2nc3ccccc3[nH+]c2c1	Oc1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1
2.5999999	OCHEM	1	0	Oc1ccc2[nH+]c3ccccc3nc2c1,Oc1ccc2nc3ccccc3[nH+]c2c1	Oc1ccc2nc3ccccc3nc2c1	mol5127	Oc1ccc2nc3ccccc3nc2c1