pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	IUPAC digitized pKa	0	-1	[O-]c1ccc2cc3ccccc3[nH+]c2c1,Oc1ccc2cc3ccccc3nc2c1	[O-]c1ccc2cc3ccccc3nc2c1	mol5011	Oc1ccc2cc3ccccc3nc2c1
5.1	IUPAC digitized pKa	1	0	Oc1ccc2cc3ccccc3[nH+]c2c1	[O-]c1ccc2cc3ccccc3[nH+]c2c1,Oc1ccc2cc3ccccc3nc2c1	mol5011	Oc1ccc2cc3ccccc3nc2c1
4.9	IUPAC digitized pKa	1	0	Oc1ccc2cc3ccccc3[nH+]c2c1	[O-]c1ccc2cc3ccccc3[nH+]c2c1,Oc1ccc2cc3ccccc3nc2c1	mol5011	Oc1ccc2cc3ccccc3nc2c1
4.74	IUPAC digitized pKa	1	0	Oc1ccc2cc3ccccc3[nH+]c2c1	[O-]c1ccc2cc3ccccc3[nH+]c2c1,Oc1ccc2cc3ccccc3nc2c1	mol5011	Oc1ccc2cc3ccccc3nc2c1
5.4	AttenGpKa training set	1	0	Oc1ccc2cc3ccccc3[nH+]c2c1	[O-]c1ccc2cc3ccccc3[nH+]c2c1,Oc1ccc2cc3ccccc3nc2c1	mol5011	Oc1ccc2cc3ccccc3nc2c1