[
  {
    "molid": "mol2049",
    "smiles": "C[C@@H](C=C(c1ccccc1)c1ccccc1)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C=C(c1ccccc1)c1ccccc1)N(C)C",
        "std_free_energy": -2.2004904747009277,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](C=C(c1ccccc1)c1ccccc1)[NH+](C)C",
        "std_free_energy": -8.801916122436523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.21,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      },
      {
        "pka_value": 9.26000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]