[
  {
    "molid": "mol38199",
    "smiles": "COc1cccc(C(=O)N(C2CCCCC2)C(C)(C)C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(C(=O)N(C2CCCCC2)C(C)(C)C)n1",
        "std_free_energy": -7.085433006286621,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc(C(=O)N(C2CCCCC2)C(C)(C)C)[nH+]1",
        "std_free_energy": 3.896763563156128,
        "relative_population": 0.8009792980460283
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc(C(=[OH+])N(C2CCCCC2)C(C)(C)C)n1",
        "std_free_energy": 5.28918981552124,
        "relative_population": 0.19902070195397162
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]