[
  {
    "molid": "mol33945",
    "smiles": "CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CC(c1ccccc1)c1ccccc1)NC(C)(C)C",
        "std_free_energy": -0.8490347266197205,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C",
        "std_free_energy": -9.054819107055664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.72000026702881,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]