[
  {
    "molid": "mol2519",
    "smiles": "Nc1ncc(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncc(Cl)cc1Cl",
        "std_free_energy": -7.339337348937988,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ncc(Cl)cc1Cl",
        "std_free_energy": 2.6185176372528076,
        "relative_population": 0.5986248423647467
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1[nH+]cc(Cl)cc1Cl",
        "std_free_energy": 3.018256187438965,
        "relative_population": 0.40137515763525344
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]