[
  {
    "molid": "mol377",
    "smiles": "NCc1cc(-c2ccccc2)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1cc(-c2ccccc2)nc2ccccc12",
        "std_free_energy": -3.7675371170043945,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]Cc1cc(-c2ccccc2)nc2ccccc12",
        "std_free_energy": -8.405425071716309,
        "relative_population": 0.9681488060318331
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.37,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]