[
  {
    "molid": "mol26665",
    "smiles": "Cc1nc2nc3ccccc3c(O)c2cc1N",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1[nH+]c2[nH+]c3ccccc3c([O-])c2cc1[NH3+]",
        "std_free_energy": 13.01794147491455,
        "relative_population": 0.08999876571623715
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Cc1nc2[nH+]c3ccccc3c(O)c2cc1[NH3+]",
        "std_free_energy": 12.45375919342041,
        "relative_population": 0.15821869751824016
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "Cc1[nH+]c2[nH+]c3ccccc3c(O)c2cc1N",
        "std_free_energy": 10.931336402893066,
        "relative_population": 0.7251663145990979
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "Cc1[nH+]c2[nH+]c3ccccc3c(O)c2cc1[NH3+]",
        "std_free_energy": 15.815800666809082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -5.98,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]