[
  {
    "molid": "mol1615",
    "smiles": "Cc1cc(O)nc(C)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)nc(C)n1",
        "std_free_energy": -7.255472183227539,
        "relative_population": 0.9915159802556854
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)nc(C)[nH+]1",
        "std_free_energy": 3.3287837505340576,
        "relative_population": 0.5138085529018013
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(O)[nH+]c(C)n1",
        "std_free_energy": 3.3840320110321045,
        "relative_population": 0.48619144709819867
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])nc(C)n1",
        "std_free_energy": 0.04027165472507477,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.81999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.01,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]