[
  {
    "molid": "mol37683",
    "smiles": "CC1Cc2ccccc2C1NC1CCc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1Cc2ccccc2[C@@H]1N[C@H]1CCc2ccccc21",
        "std_free_energy": -3.759831428527832,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCc2ccccc21",
        "std_free_energy": -7.2524566650390625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.6399998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]