[
  {
    "molid": "mol20589",
    "smiles": "COc1noc2c1CN(Cc1ccccc1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1noc2c1CN(Cc1ccccc1)CC2",
        "std_free_energy": -5.708686828613281,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1noc2c1C[NH+](Cc1ccccc1)CC2",
        "std_free_energy": -6.025310516357422,
        "relative_population": 0.9901432375890686
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]