[
  {
    "molid": "mol7015",
    "smiles": "CN(C)c1cc(Cl)nc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc(Cl)nc(N)n1",
        "std_free_energy": -7.6335649490356445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1cc(Cl)nc(N)n1",
        "std_free_energy": 0.34183889627456665,
        "relative_population": 0.27367012761538206
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cc(Cl)nc(N)[nH+]1",
        "std_free_energy": 1.005845069885254,
        "relative_population": 0.14088124390411935
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1cc(Cl)nc([NH3+])n1",
        "std_free_energy": 0.27586299180984497,
        "relative_population": 0.2923346979630855
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(C)c1cc(Cl)[nH+]c(N)n1",
        "std_free_energy": 0.27320098876953125,
        "relative_population": 0.2931139305174131
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]