pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	0	-1	Oc1cccc2c1NCCC2	[O-]c1cccc2c1NCCC2	mol4467	Oc1cccc2c1NCCC2
5.5	AttenGpKa training set	1	0	Oc1cccc2c1[NH2+]CCC2	Oc1cccc2c1NCCC2	mol4467	Oc1cccc2c1NCCC2