pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	Datawarrior	0	-1	Oc1ccc2c(c1)Cc1ccccc1-2	[O-]c1ccc2c(c1)Cc1ccccc1-2	mol15110	Oc1ccc2c(c1)Cc1ccccc1-2
9.5100002	OCHEM	0	-1	Oc1ccc2c(c1)Cc1ccccc1-2	[O-]c1ccc2c(c1)Cc1ccccc1-2	mol15110	Oc1ccc2c(c1)Cc1ccccc1-2
9.51000022888184	QSARToolbox	0	-1	Oc1ccc2c(c1)Cc1ccccc1-2	[O-]c1ccc2c(c1)Cc1ccccc1-2	mol15110	Oc1ccc2c(c1)Cc1ccccc1-2
9.58	AttenGpKa training set	0	-1	Oc1ccc2c(c1)Cc1ccccc1-2	[O-]c1ccc2c(c1)Cc1ccccc1-2	mol15110	Oc1ccc2c(c1)Cc1ccccc1-2