pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.38	AttenGpKa training set	0	-1	N#C[C@H]1C(=O)NC(=O)[C@@]1(Cc1ccccc1)c1ccccc1	N#C[C@H]1C(=O)[N-]C(=O)[C@@]1(Cc1ccccc1)c1ccccc1,N#C[C-]1C(=O)NC(=O)[C@@]1(Cc1ccccc1)c1ccccc1	mol12208	N#CC1C(=O)NC(=O)C1(Cc1ccccc1)c1ccccc1