[
  {
    "molid": "mol4739",
    "smiles": "Cc1cnc2cnc(N)nc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc2cnc(N)nc2n1",
        "std_free_energy": -7.93942403793335,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cnc2c[nH+]c(N)nc2n1",
        "std_free_energy": -1.695224404335022,
        "relative_population": 0.15394193719369226
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cnc2cnc(N)[nH+]c2n1",
        "std_free_energy": -2.084709644317627,
        "relative_population": 0.2272522741100183
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cnc2cnc(N)nc2[nH+]1",
        "std_free_energy": -2.1162078380584717,
        "relative_population": 0.23452423587684693
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1c[nH+]c2cnc(N)nc2n1",
        "std_free_energy": -1.7323296070098877,
        "relative_population": 0.15976128027016856
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cc1cnc2cnc([NH3+])nc2n1",
        "std_free_energy": -2.072614908218384,
        "relative_population": 0.2245202725492739
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.76,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]