[
  {
    "molid": "mol31201",
    "smiles": "CONC(O)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CON[C@H](O)c1ccc(Cl)cc1",
        "std_free_energy": -6.94718074798584,
        "relative_population": 0.9999989480244666
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[NH2+][C@H](O)c1ccc(Cl)cc1",
        "std_free_energy": 1.0627140998840332,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CON[C@H]([O-])c1ccc(Cl)cc1",
        "std_free_energy": 7.1126532554626465,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]