pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.66	AttenGpKa training set	0	-1	CNC(=O)c1[nH]c(C)cc(=O)c1O	CNC(=O)c1[nH]c(C)cc(=O)c1[O-],CNC(=O)c1[n-]c(C)cc(=O)c1O	mol29549	CNC(=O)c1[nH]c(C)cc(=O)c1O
2.32	AttenGpKa training set	1	0	CNC(=O)c1[nH]c(C)cc(=[OH+])c1O,CNC(=[OH+])c1[nH]c(C)cc(=O)c1O	CNC(=O)c1[nH]c(C)cc(=O)c1O	mol29549	CNC(=O)c1[nH]c(C)cc(=O)c1O