[
  {
    "molid": "mol15483",
    "smiles": "Cc1cc(Nc2ccc(O)cc2)c(C(C)C)cc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(Nc2ccc(O)cc2)c(C(C)C)cc1O",
        "std_free_energy": -6.901381969451904,
        "relative_population": 0.9999958478207348
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(Nc2ccc(O)cc2)c(C(C)C)cc1[O-]",
        "std_free_energy": 1.4808610677719116,
        "relative_population": 0.5570083109142782
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(Nc2ccc([O-])cc2)c(C(C)C)cc1O",
        "std_free_energy": 1.7100117206573486,
        "relative_population": 0.4429378681749164
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(Nc2ccc([O-])cc2)c(C(C)C)cc1[O-]",
        "std_free_energy": 10.957127571105957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.85000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.74,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.295,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]