[
  {
    "molid": "mol3706",
    "smiles": "CCc1cnccc1NC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cnccc1NC",
        "std_free_energy": -3.655116319656372,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cnccc1[NH2+]C",
        "std_free_energy": -8.721332550048828,
        "relative_population": 0.2189466610377002
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1c[nH+]ccc1NC",
        "std_free_energy": -9.993147850036621,
        "relative_population": 0.7810533389622998
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.89,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.48,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]