[
  {
    "molid": "mol7504",
    "smiles": "CNc1nccc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1nccc(C)n1",
        "std_free_energy": -7.956979751586914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1nccc(C)[nH+]1",
        "std_free_energy": -2.1418843269348145,
        "relative_population": 0.3102662240944574
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1nc(C)cc[nH+]1",
        "std_free_energy": -2.1141433715820312,
        "relative_population": 0.30177743062447154
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]c1nccc(C)n1",
        "std_free_energy": -2.3653464317321777,
        "relative_population": 0.38795634528107104
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]