[
  {
    "molid": "mol3750",
    "smiles": "CNc1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ccncc1",
        "std_free_energy": -3.8553075790405273,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1cc[nH+]cc1",
        "std_free_energy": -10.076712608337402,
        "relative_population": 0.7389129259612852
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1ccncc1",
        "std_free_energy": -9.036386489868164,
        "relative_population": 0.26108707403871473
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]