[
  {
    "molid": "mol32794",
    "smiles": "CN(C)c1ccc(C=Cc2cc(N)c3ccccc3n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C=Cc2cc(N)c3ccccc3n2)cc1",
        "std_free_energy": -3.4759345054626465,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C=Cc2cc([NH3+])c3ccccc3n2)cc1",
        "std_free_energy": -10.108830451965332,
        "relative_population": 0.5186053802099617
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C=Cc2cc(N)c3ccccc3[nH+]2)cc1",
        "std_free_energy": -9.846639633178711,
        "relative_population": 0.3989964137495336
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(C=Cc2cc(N)c3ccccc3n2)cc1",
        "std_free_energy": -8.269250869750977,
        "relative_population": 0.08239820604050475
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]