pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	AttenGpKa training set	1	0	NC(=O)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[NH+]2CCC3(F)F)cc1	NC(=O)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3N2CCC3(F)F)cc1	mol30072	NC(=O)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)C3[C@@H]3N2CCC3(F)F)cc1