[
  {
    "molid": "mol4560",
    "smiles": "Nc1cc2cc(Cl)ccc2nn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc2cc(Cl)ccc2nn1",
        "std_free_energy": -7.283996105194092,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cc2cc(Cl)ccc2nn1",
        "std_free_energy": 1.5274356603622437,
        "relative_population": 0.24543605122507164
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cc2cc(Cl)ccc2[nH+]n1",
        "std_free_energy": 0.9304192066192627,
        "relative_population": 0.445881349108323
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cc2cc(Cl)ccc2n[nH+]1",
        "std_free_energy": 1.2981585264205933,
        "relative_population": 0.30868259966660533
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]