[
  {
    "molid": "mol71",
    "smiles": "CC/C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC/C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1",
        "std_free_energy": -3.290621042251587,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC/C(=C(/c1ccccc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1",
        "std_free_energy": -7.799757480621338,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.48,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]