[
  {
    "molid": "mol38366",
    "smiles": "CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1",
        "std_free_energy": -6.611904144287109,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C[NH2+]1",
        "std_free_energy": -6.996790885925293,
        "relative_population": 0.9985989147578243
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]