[
  {
    "molid": "mol15485",
    "smiles": "Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1",
        "std_free_energy": -7.002634525299072,
        "relative_population": 0.9999968135257002
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])c(C(C)C)cc1Nc1ccc(O)cc1",
        "std_free_energy": 1.4630510807037354,
        "relative_population": 0.4604134086755024
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(O)c(C(C)C)cc1Nc1ccc([O-])cc1",
        "std_free_energy": 1.3044438362121582,
        "relative_population": 0.539548158019828
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])c(C(C)C)cc1Nc1ccc([O-])cc1",
        "std_free_energy": 10.992881774902344,
        "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": 10.82,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.335,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]