[
  {
    "molid": "mol34795",
    "smiles": "CC(NC(=O)C(C)(C)C)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](NC(=O)C(C)(C)C)P(=O)([O-])O",
        "std_free_energy": -11.99116325378418,
        "relative_population": 0.9999842798224687
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "C[C@H](NC(=O)C(C)(C)C)P(=O)([O-])[O-]",
        "std_free_energy": -11.36035442352295,
        "relative_population": 0.9999878934011612
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]