[
  {
    "molid": "mol26598",
    "smiles": "Nc1cc2cccnc2c2ncccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc2cccnc2c2ncccc12",
        "std_free_energy": -6.108186721801758,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cc2cccnc2c2ncccc12",
        "std_free_energy": -2.2894105911254883,
        "relative_population": 0.16093684483679643
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cc2cccnc2c2[nH+]cccc12",
        "std_free_energy": -3.255659341812134,
        "relative_population": 0.4229528768604459
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cc2ccc[nH+]c2c2ncccc12",
        "std_free_energy": -3.239348888397217,
        "relative_population": 0.41611027830275765
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]