[
  {
    "molid": "mol1641",
    "smiles": "Nc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1",
        "std_free_energy": -6.247130393981934,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1",
        "std_free_energy": 0.8571506142616272,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]