[
  {
    "molid": "mol10143",
    "smiles": "ON=Cc1cccc(C=NO)n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "ON=Cc1cccc(C=NO)n1",
        "std_free_energy": -8.334260940551758,
        "relative_population": 0.9996385706101016
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "ON=Cc1cccc(C=[NH+]O)n1",
        "std_free_energy": 1.53188955783844,
        "relative_population": 0.1888734974847626
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "ON=Cc1cccc(C=NO)[nH+]1",
        "std_free_energy": 0.07455622404813766,
        "relative_population": 0.8111157745867095
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=Cc1cccc(C=NO)n1",
        "std_free_energy": -1.6090376377105713,
        "relative_population": 0.999928007236618
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]