[
  {
    "molid": "mol28935",
    "smiles": "Cc1ccc(P(=O)(O)O)cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(P(=O)(O)O)cc1C",
        "std_free_energy": -0.988004207611084,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(P(=O)([O-])O)cc1C",
        "std_free_energy": -12.750104904174805,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(P(=O)([O-])[O-])cc1C",
        "std_free_energy": -11.907066345214844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.76,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]