[
  {
    "molid": "mol7019",
    "smiles": "Nc1nc(O)ncc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1nc(O)ncc1Cl",
        "std_free_energy": -7.333041191101074,
        "relative_population": 0.999991660190323
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1[nH+]c(O)ncc1Cl",
        "std_free_energy": 2.5639820098876953,
        "relative_population": 0.5061989912716636
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1nc(O)[nH+]cc1Cl",
        "std_free_energy": 2.7476117610931396,
        "relative_population": 0.4212810146157568
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1nc(O)ncc1Cl",
        "std_free_energy": 4.507049560546875,
        "relative_population": 0.07251999411257959
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1nc([O-])ncc1Cl",
        "std_free_energy": 1.1213767528533936,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.36,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]