[
  {
    "molid": "mol38359",
    "smiles": "CCC(C)c1ccc(N(C)C(=N)N(C)c2ccc(C(C)CC)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C)c1ccc(N(C)C(=N)N(C)c2ccc([C@@H](C)CC)cc2)cc1",
        "std_free_energy": -0.8346878290176392,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H](C)c1ccc(N(C)C(=[NH2+])N(C)c2ccc([C@@H](C)CC)cc2)cc1",
        "std_free_energy": -9.061098098754883,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]