pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.14	Datawarrior	0	-1	Cc1cc(=O)[nH]n1-c1ccccc1	Cc1cc(=O)[n-]n1-c1ccccc1	mol6865	Cc1cc(=O)[nH]n1-c1ccccc1
8.23	AttenGpKa training set	0	-1	Cc1cc(=O)[nH]n1-c1ccccc1	Cc1cc(=O)[n-]n1-c1ccccc1	mol6865	Cc1cc(=O)[nH]n1-c1ccccc1
1.79	AttenGpKa training set	1	0	Cc1cc(=[OH+])[nH]n1-c1ccccc1	Cc1cc(=O)[nH]n1-c1ccccc1	mol6865	Cc1cc(=O)[nH]n1-c1ccccc1