[
  {
    "molid": "mol13365",
    "smiles": "Nc1cccc(-c2cccc(N)n2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(-c2cccc(N)n2)n1",
        "std_free_energy": -5.696925163269043,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc(-c2cccc([NH3+])n2)n1",
        "std_free_energy": -5.165215015411377,
        "relative_population": 0.3539974222871047
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc(-c2cccc(N)[nH+]2)n1",
        "std_free_energy": -5.76672887802124,
        "relative_population": 0.6460025777128954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.6999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]