pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.8	AttenGpKa training set	0	-1	CC(=O)Nc1ccccc1	CC(=O)[N-]c1ccccc1	mol3310	CC(=O)Nc1ccccc1
0.5	IUPAC digitized pKa	1	0	CC(=[OH+])Nc1ccccc1	CC(=O)Nc1ccccc1	mol3310	CC(=O)Nc1ccccc1
1.32	IUPAC digitized pKa	1	0	CC(=[OH+])Nc1ccccc1	CC(=O)Nc1ccccc1	mol3310	CC(=O)Nc1ccccc1
0.17	AttenGpKa training set	1	0	CC(=[OH+])Nc1ccccc1	CC(=O)Nc1ccccc1	mol3310	CC(=O)Nc1ccccc1