[
  {
    "molid": "mol7093",
    "smiles": "Cc1nccc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nccc(N)n1",
        "std_free_energy": -5.893275260925293,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(N)cc[nH+]1",
        "std_free_energy": -4.406940460205078,
        "relative_population": 0.30115001248173046
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nccc([NH3+])n1",
        "std_free_energy": -4.532276630401611,
        "relative_population": 0.34136240736571144
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nccc(N)[nH+]1",
        "std_free_energy": -4.578432559967041,
        "relative_population": 0.35748758015255816
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.89,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.53000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]