[
  {
    "molid": "mol34003",
    "smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N",
        "std_free_energy": -6.985525131225586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1[NH3+]",
        "std_free_energy": -0.8483884334564209,
        "relative_population": 0.40977563246133
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)Nc1ccc([NH2+]Cc2ccc(F)cc2)cc1N",
        "std_free_energy": -1.1889045238494873,
        "relative_population": 0.576010484278662
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]