[
  {
    "molid": "mol28113",
    "smiles": "Cc1cc(N=C(N(C)C)N(C)C)c2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N=C(N(C)C)N(C)C)c2ccccc2n1",
        "std_free_energy": -0.751113772392273,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N=C(N(C)C)N(C)C)c2ccccc2[nH+]1",
        "std_free_energy": -7.541714191436768,
        "relative_population": 0.11741594357604285
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc([NH+]=C(N(C)C)N(C)C)c2ccccc2n1",
        "std_free_energy": -9.558845520019531,
        "relative_population": 0.8825840564239571
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]