pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.02	AttenGpKa training set	0	-1	N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1O	N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1[O-]	mol31245	N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1O
0.32	AttenGpKa training set	0	-1	N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1O	N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1[O-]	mol31245	N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1O