[
  {
    "molid": "mol15315",
    "smiles": "CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4",
        "std_free_energy": -7.247448921203613,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4",
        "std_free_energy": 1.877549409866333,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]