[
  {
    "molid": "mol8275",
    "smiles": "Clc1ncc2[nH]cnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ncc2[nH]cnc2n1",
        "std_free_energy": -6.0244140625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1nc2nc[nH]c2c[nH+]1",
        "std_free_energy": 7.215111255645752,
        "relative_population": 0.25140368129787394
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1ncc2[nH]cnc2[nH+]1",
        "std_free_energy": 7.11643123626709,
        "relative_population": 0.277477530466774
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Clc1ncc2[nH]c[nH+]c2n1",
        "std_free_energy": 6.587060928344727,
        "relative_population": 0.47111878823535197
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Clc1ncc2[n-]cnc2n1",
        "std_free_energy": -2.6918201446533203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]