[
  {
    "molid": "mol29058",
    "smiles": "N[C@@H](Cc1c(F)c(F)c(CP(=O)(O)O)c(F)c1F)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1c(F)c(F)c(CP(=O)([O-])O)c(F)c1F)C(=O)[O-]",
        "std_free_energy": -12.369708061218262,
        "relative_population": 0.9863076691744848
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "[NH3+][C@@H](Cc1c(F)c(F)c(CP(=O)([O-])[O-])c(F)c1F)C(=O)[O-]",
        "std_free_energy": -14.194064140319824,
        "relative_population": 0.9936102398599196
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]