pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.51	AttenGpKa training set	0	-1	Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)[C@H]2C(N)=O)cc1	Cc1ccc(C2(c3ccc(C)cc3)C(=O)[N-]C(=O)[C@H]2C(N)=O)cc1,Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)[C-]2C(N)=O)cc1,Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)[C@H]2C([NH-])=O)cc1	mol27356	Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)C2C(N)=O)cc1