[
  {
    "molid": "mol20184",
    "smiles": "c1ccc(Nc2c3ccccc3nc3ccccc23)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(Nc2c3ccccc3nc3ccccc23)nc1",
        "std_free_energy": -4.29341983795166,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(Nc2c3ccccc3[nH+]c3ccccc23)nc1",
        "std_free_energy": -7.78480863571167,
        "relative_population": 0.2831528188547599
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(Nc2c3ccccc3nc3ccccc23)[nH+]c1",
        "std_free_energy": -7.316493988037109,
        "relative_population": 0.17726966427767915
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1ccc([NH2+]c2c3ccccc3nc3ccccc23)nc1",
        "std_free_energy": -8.429608345031738,
        "relative_population": 0.539577516867561
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]