bond cutter!

cutbond.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit WARNING: [22:16:57] Enabling RDKit 2019.09.3 jupyter extensions\n"
     ]
    }
   ],
   "source": [
    "import copy\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem.Scaffolds import MurckoScaffold\n",
    "from rdkit.Chem import Draw\n",
    "from rdkit.Chem.Draw import IPythonConsole\n",
    "from IPython.display import display"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"C1CCNCC1\")\n",
    "mol2 = Chem.MolFromSmiles(\"c1ccccc1\")\n",
    "mol3 = Chem.MolFromSmiles(\"C1CC1CC\")\n",
    "mol4 = Chem.MolFromSmiles(\"C1CC1CCC2CCOC2\")\n",
    "mol5 = Chem.MolFromSmiles(\"C1CCC2CCCCC2C1\")\n",
    "mol6 = Chem.MolFromSmiles(\"OC1CC2(C1)CCCC2\")\n",
    "mol7 = Chem.MolFromSmiles(\"CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N\")\n",
    "mol8 = Chem.MolFromSmiles(\"c1ccccc1c2ccccc2OC\")\n",
    "mol9 = Chem.MolFromSmiles(\"CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5\")\n",
    "mol10 = Chem.MolFromSmiles(\"C1CCCC1CCCOCOCOCOCOCc1ccccc1\")\n",
    "mols = [mol1,mol2,mol3,mol4,mol5,mol6,mol7,mol8,mol9,mol10]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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JCgpKSEi4f92zZ8/6+fkZj1++fPmQkJDsf03IE1JSUsLDwwMCAkqXLp3WvwoVKgQEBISFhRk/fOeddzJ4hJMnT5YvX954j40bNy7HRp6PFPQQhoaqKlWUyBtt2vj6+p49e9b48fnz5+vXry8ipUuX/v3333NlaGFhYb6+vgsWLMiVZ8ejYjab03Y21KpVa82aNRkvf+3atZEjR9ra2oqIh4dH4cKFRcTGxmbo0KGXL1/OeN2NGzc+9thjxnO1b98+JSXl0b0O5EUTJkwoUqRIWv+qV68+efLkvXv3pi2wefNmGxsbOzu7HTt2PPARzpw5U6lSJRHx8vIy9iuMHTs2p4afbxTcEF69qjp3ViJKRNWvb9627Z7f37hxo02bNiLi6ur6yy+/ZPp4sbGxBw4ceFSjCwkJSTtnJy3PyI9++eWXZs2aubq6zpgxIzEx0cK1jhw50rFjx0KFCrm4uDRp0mTXrl0WrpiamhoSElK4cGFvb++ff/45q6NGPrBs2TLj+7qXl9ekSZPCw8MfuNgrr7xi7Ce4cePGPb9Kq6CPj8+tW7fWrFlDCx+oIIZw6VK1YoVaskTVrKk8PVVwsEpOfuCCiYmJ/fr1ExFbW9s5c+bcv8CFCxdCQ0MnTZrk4+Pj4OBQqlSp9u3bR0RE/McBfvbZZzY2NiJSpUoVEfnxxx//4wMiF40fP15Epk2bloV1je1Cy/OZ5sMPPxSR4cOHZ+FJkV8MGTJERKZPn57xYsnJyc2aNRORnj17pv/5PRU0fkgLH6ggnjV69ap07y7XrsnixXLsmAQGykOul3BwcFiwYEFQUFBqaurIkSMDAwOTkpL27Nkze/bs3r17lytXrmzZsl27dp05c+aOHTuMa7nWr1/fuXPnY8eOZXl0M2fOfOmll5RSH3zwweDBg0Vk586dWX405BEuLi5ZWMtkMqX9X6s4Oztn4emQH5UqVSrjBezs7BYtWuTu7r58+fJvv/3W+GFkZGSbNm3OnDnj4+OzZs0aNzc34+cdO3ZcsWJFoUKFgoODx40bl71Dz0dyu8TZYOlSFRqqfvrJ8jW+/PJLY0elcTw5TZEiRbp06fLOO+9s2bIlLi4uKSmpc+fOIlKuXLkzZ85YOy6z2Wy882xtbb/55hul1KZNm0TE29vb2odC3mFsEX7wwQdZWNd41yUlJVm74pw5c4QtwoLO2CL8+uuvLVl4yZIlIuLi4nLkyJEHbgumx3bhPQpiCJVSH3ygWrdWhw5ZvsYbb7zh4OBga2tbpUoVPz+/4ODgiIiI+09Kjo+Pb9WqlYhUr14901Mb0ktOTh40aJDR2uXLlxs/vH37tp2dnZ2dXWxsrOUPhTyFECKbWBVCpdSAAQNEpFatWhUrVsygggZamF5B3DUqIr//Ltu2SXi45Wvs2LEjKSnpvffeO3ny5Pz58wMDA729vY0jeek5OTmFhYU1aNDgxIkTHTp0iI6OtuTBExMTe/fu/f3337u6uoaFhfXo0cP4uYuLS/369VNSUvbu3Wv5UAHgfp9//nmVKlWOHj0aGRnZqlWrtWvXpu0RvV/Hjh2XL1/u4OAwe/bsUqVKVahQoUKFCt7160uFCv/+N3++rFwpP/8sCxeKiHz/fY69lhxWQEPYooWIiMXH3g4dOrRlyxY3Nzd/f/9MF/bw8Fi3bl3NmjX379//7LPPJiQkZLDwxYsXly9f3rRp0xUrVhQrVmzLli3t27f/35G2EA4TAvjPnJ2dixcvbuxmqFOnTqbHrWvWrOnm5ubg4HDlypVz586dO3fu/MWLcu7cv/8Z51tcuiRRUbJ2rRTc2bgIoYjIJ598opQaNGiQMS1IpooXL75+/foKFSps2bKlT58+KSkpab9KTU09dOjQ/Pnzhw8fXqdOnbJly/bq1evOnTvyz0zKs2fPPn/+fLqREkIAj8CsWbN2797t4uLi6Oj45ZdfjhgxQj18KukTJ060adMmKirK29v78OHDkZGRkZGR+/btk8jIf/+rUEHCwqR0aSlaVDp2lAynyc3XCuj00/XqiatrclJS0tWrLiVKZLxsdHT0okWLTCbTqFGjLH+G8uXL//rrr0888URoaGj//v0HDRr022+/7dixY/fu3bGxsWmLubu7N2vWrFKlSiVKlNi1a9eOHTt27Ngxbtw4b2/vbt26devWLS2EZrP5/j2xAGCJiIiIKVOmmEymhQsXOjg4dOvWbd68eSLy5Zdf3n9a8okTJ9q2bXvhwoWWLVuuWbPG1dX1wQ9aocL//L+DBmXHyPOCAhpCOzu/tm0XhoWt2Lmze/fuGS/71VdfxcXFdezYsVatWlY9SZ06dVavXt2uXbvVq1cbp2wZSpcu3bJlSx8fH29v76ZNmxpTm4rI9evXf/nll9DQ0HXr1kVERERERLz55ptVqlRxc3OLjo4+evSol5eXla8TAOT27dv9+vVLSkp6+eWXfX19RWTVqlUPa6GlFdRJAQ2hSOXHH5ewsJ2ZhdBsNhsn4I0ZMyYLz9K0adPQ0NALFy588cUXzZs39/HxadGixcOu+ylWrNigQYMGDRqUkJCwffv2sLCw5cuXnzp1SkQqVKgQFxeXhQEgj8hgHxTwX1hyN8qRI0ceP368YcOG7777rvGTp59++oEtpIIPlstnrWabNWvWiIiPj0/Gi61YsUJEqlWrlun07dkhNTV1+/btr7zyyv79+3P+2fFIfPbZZ1WrVq1SpcrDJnt8IOOeEi4uLq6urmPGjImJibF83X379tWpU6dy5cqzZs2yfrzIN957771y5cq5ubn5+fmFhoY+bAai77//XkRcXFyOHj16z6/WrVtnXCPh7+9vNpuPHz9etmxZEWnZsiWXbKVXYEN48+ZNGxsbe3v7hQsXbt269ciRIzdv3rx/sSeffFJEgoODc3yAKCDMZrMxIaTJZBo4cODFixczXX7hwoXG55HJZDK+p5cqVerbb7/N9NvYlStXhg0bZhxLrlGjBpNuF3idOnVK22gpUqTIoEGDwsLC0t+f5O+//3Z3dxeR77///oGPkNbCPn36UMGHKbAhVEqNGDEi/Y27RMTR0bF8+fJNmjTx9fUdMmTIiBEjTCaTq6srNybEf2HcSsn4uDFupfSwWwZGRES0bNnSeDd6e3uHh4f//vvvaT9p2LDhtvtmhzdkfLNDFGAHDx6cMWOGj49P2ueYs7Ozr69vSEhIVFRU06ZNRaR3794ZPIJx7bzxlatNmza3b9/OscHnFwU5hEqpqVOn9ujRo2XLlsYVM/fvGW7WrNkrr7yS28NEQZDxLQMvXrzo7+9vbMyVLl167ty56bfnQkNDjTmxRMTX1/f06dPp17XkZoco8I4dO/buu+96e3unfXw5ODiISJUqVTLdtb5mzZrPP/88MDCQCj5QAQ/hPeLj48+cObNr165Vq1bNmzfvrbfe+u2333J7UChQNm3aVK9ePeNzqm3btvv37zc25oz9V8bG3AM/tuLi4mbMmGGcvODs7Dxp0qTY2Nhjx44ZJwEa+0LDwsJy/hUhr4mMjAwODvbx8bG3tx83bhwfYv+dSXG2G/BIpaSkzJs3b8qUKVFRUXZ2dp6entevXxeR7t27f/DBB1WrVs1g3cjIyFdeeWXp0qUiUqRIkVu3bqWkpHh6ek6ZMuWll15KuxQHEJGoqKiiRYvm9igKAkIIZIubN2/OnDlz9uzZDRs2vHHjxkcffZT+xIeM7d69e+zYsUlJSYcOHerdu/esWbNKliyZraMFdEYIgWx0+fJlY6PQ7iE3xXwYs9kcFRWVmpqa6e3oAPxHhBAAoDUmtwQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAHU2cKKdPy8KFMm2abNkiZnNuDwi5x6SUyu0xAEDOOXVKwsPF1lZSUuTKFZk8WUSkTBnp3VteeMHcuLHJZDLl9hiRo9gitFraF8mFC0VEvv8+l8cDwHK7d0vz5jJkiPz1l5QrJ2azvP66VK0qFy9KcLCMH3+6UqVKgYGB27dvz+2RIuewRWi1hQslJUXs7CQqSmrWlLNnxd8/t8cEwAIrV0q/fhIfL+3ayU8/ibv7v7/au1d+/FEOHHhn/fo3jJ/Url07JCSkcePGuTNW5CC2CK3z99+yZo2UKyexsVK0qHTsKA4O8t57cvZsbo8MBVdkZOS2bdtyexT53hdfhAwefCs+Xp5/Xq5dkwMH/ue3jRvLhx/K2rWvhoeHBwQElCpV6tixY++9915kZGQujRc5SMFi8+crNzclosLC/v3hwoVKRBUurJYvz72RoeCKj49v2LChnZ3dqlWrcnss+VVKSkpAQICIeHs/PXKkuUQJJaLatctoleTk5JYtW4rI0qVLc2qYyDVsEVokNjZ2+PCkAQMkNlaef15atfr3Vx07SrducvOm9Owp48bFx8fHZ/xQt2//e5QRyNTo0aP37dtXuXLl1q1b5/ZY8qX4+PgePXp88sknjo6OrVp5HTs25upV6dRJfv75oav83//93+uvv163bl0R+eOPP3JurMglhDBzv//+u7e3919/feLkJMHBsnixeHj8+9uiRWXlSgkJEVdX2bbtLW9v7z///DP96qmpqQcOpHz1lbz4ojz2mHh6SqVKsnVrDr8I5Eufffrpd9995+rqumLFCk9Pz9weTr70zjvvrFq1qkiRIsOGDfvkk082bfp8ypTVoaHi5vbQVX788cf333/fbDYLIcxVSUlJgYGBEydObNSo0ezZsy9fvpxdz5Tbm6R5mtls/vDDDx0cHESkfv36x45FZ7DwoUNX69SpIyKFChV65513li9fPnHixCeeeMLFxaVp05UiyvjPwUG9/rpav1598YU6cEDduJFjrwb5zY4dR2rWrFWlypIlS3J7KPlVYmJiixYtChUqtGfPnsqVK5tMphkzZmS61ieffCIizz//vIiUKFEiB8aJ+924caNNmzYi4urqatTK1ta2ffv233zzzY1H/blJCDNy48aNEiVKmEymMWPG3LlzJ9Pl4+PjR44cKSJFihRJ/22jR4+Zffuq2bPVrl0qIeHuwjt2KA8P5eOj4uOz91UgXzp/XpUsqUQSXn89t4eSv1WuXFlEDh06dPjwYQsP+BnXTjRs2LBYsWIicv78+eweJO5x6tSp2rVri0jp0qV37twZGhrq5+fn7OycVsR27dqFhITcunXrkTwdIczIhx9+KCK+vr6xsbFLlixJSkqyZK0nnnhCROrUqRMUFLR69epr1649cLELF1TFikpE+fqq5ORHOm7kd0lJysfn7hkdKSm5PZr8rUePHiKyYMECy1eJjY21sbFxcHB48sknRSQ0NDRrT52QkJDCX59SSqmUlJTTp08nJiZasvCePapLl7dEpF69eufOnUv7+Y0bN7755punn37a1tbWKKKzs3Pv3r2PHz/+H4dHCDOyZ88eESlbtmyjRo1EZN26dZmukpSUVLhwYeMbaMZLfv+96t9fFS2qRNSwYalms/kRjRr5X2ioMplU5crq+vXcHkq+N336dBEZP368VWvVqlVLRAYOHCgiU6dOtfZJ4+Linn/++Zdeeqlo0aL+/v7h4eE6/wPftGlTtWrV6tev7+np6efnFxoamsFGxcqVytlZmUzmYcNmxsTEPHCZqKiokJAQX19fW1tbk8n08ssv/8edpXk0hBMmqFOnVNp3uFzceVilShURGTp0qIj4+/tnuvyvv/5qfJGpUKFChw4dbt68+cDFIiOVo6MSUaNHq+LFzY0bT32dPWBILzRU/fFHbg+iIDD+SbZp08aqtfr27Wv8kxeRbt26WbXulStXmjZtmv7glohUrFjxlVde2bdvn1UPVQDMnz/fOM2iRIkS6f40ao8ZYw4PV/d8PZg7V9nZKRE1eLCyZAfc2bNna9SoISLr16//L4PMoyFcsEB9993dEB4+rCpVUrl1usD48ePTvhgWK1YsObOdmEYyjf9bqVKlDL4GLlmibGxU0aKpr7zysZ2dnYh89tlnj3r4yG+WLlUrVqiffsrtcRQcxqmG7u7uVm2TzZo1S0T69esnIhUqVLB8xRMnTlSvXl1EKleufPjw4RUrVowYMaJq1appDahUqdKkSZMOHz5s/UvJf4KDg42JWwMCAlJTU0+fPj1jxoxatWo1b/6RcfJg+fLq5ZfVgQNKKXX5sipcWJlM6p13rHiKl156SUTef//9/zLOvBtC47zK7dtVQIASUY6OauPGXBjJjh07jPeusatk06ZNGSyckpJSvHhxEfHz8xORCRMmZPzgX36ZULlyRzs7u5dfftlkMtnY2HD1ru6ML0N8JXqkypQpIyJ///235aucOHFi2bJlkZGRxlbdH5Ztne/YscM4v6ZJkyaXL19WSvXs2VNEvLy8hgwZ0q9fv5IlS6YVsX79+jt27MjaK8oVqampJ06c+Pbbb48ePZrpwsnJycb2tK2t7aeffnrPb/fvj580SVWqdPdc+ieeuLsLcPNmtWiRdaP65ptvROSFF16wbrX/lUdDaPjtN+XkpIoWVX5+SkR5eKj9+y/m8BjMZnP58uVFZMiQISIyevToDBbetGmTiFSvXt04UW3nzp2ZPv7rr79uHPI1Nj379u376MaOfGjpUvXzz+rll9XChbk9lILD19dXsjRHzLp165ycnIyOent7BwcHX7z40I+gZcuWFSpUSES6d+8eFxdn/HD8+PHGl2ODt7f3qFGjBg8ebPywT58+x44dy/oLy0EJCQl9+vQpXLiwcaKKl5dXUFDQiRMnHrjwrVu3OnXqJCIuLi4ZnGpkNqudO1VAgAoO/ncXoLWMCz1r1qyZlZX/kXdDGBKiatZUXbooEVW2rOre3dy6dUjx4sX/6wlC1u96MiZnGjx4sIiUKlUqg9PARo8eLSKDBg0ylkxNTc30wc1m89ChQwMCAm7duuXg4ODs7Pyww4rQxaZNd/cZccLhIzJlyhQRefXVV5VSV69ejY2NtWStOXPmGMcsatSocc+J+19//fU9Z2cEBwfb2Nik7QNM/6vk5OS1a9cOGjTI45+ZOFxcXGJiYtq2bSsi33333aN7odnlypUrzZo1ExEPD48uXboY5wOKiMlkat68+ezZs9N/Pzh//vzjjz9ufAZGRERY8vhpuwCz8JZPSkpq1WpZxYqn/suVFHk0hElJqlEjJaIaNlTNmhn/I+HJJ58SkapVqxr7HLLI+l1PW7duFZEqVaoYO/rDw8MfuJjZbC5XrlxaCF966SULH9/4Z7N06VIRadGiheUDQ8FkNqvq1ZWI+vXX3B5KAbFixQoR6dChg1IqMDCwUKFCvr6+ISEht2/ffuDyZrM5KCjI+KyfNGmS2WyOj49/2KVsN27cGDFihPGT2bNnZzCMhISEFStW9OnTZ9CgQUqpGTNmGOHMjpf8CP3999/GCSmVK1c2dnKmpKSsX7/ez8/P7Z/peWxsbHx8fIKDgzdv3mx8DNapU+fMmTOWP8uECapw4f+Zxtly3t5KRD3kg9kieTSESqkrV1S1asZldoktWsTVqze6cePGxhcN421ktS1bVJ8+6vXX1dKlVm0Rpqamli5dWkTee++9ZcuWpe30uMfOnTtFpHz58pYcTbxfnz59ROTDDz+0ai3klujo6NWrV8+cOXPFihWHDh2y8AIpS82YoUTUs88+ysfU2JkzZ4ztsFWrVvXs2dPYdDO2bwYOHLhmzZr0J8ElJCS88MILImJnZzd37tx7HurmzZvffvtt+kvZ7O3tjaMbK1eutGpU69atE5FWrVo9gleYbXbu3GnsxfX29jb2dn7yySdpv42Li1uyZMmzzz5r7BOWf06Ufeqpp6KjM5qH634TJigR9dZbWRnksGFKRGX4JSQTeTeESqmTJ9VjjyXVqNGza9euxoG6jh07Dhw48GEXl2RixAglooYOVU5OauRIq1Y15ovp0aPH0od75plnRGTMmDGDBw+uUaNGpueXppeQkODu7i4iJ0+etPJVIRdcuXKlfPnyxswXaUqXLt2uXTt/f/8ZM2aEhoaePHky6xdTX76s7O1TypW7cenSIx24vr7++mujWJ6ens8999yQIUO8vb3T/u6KFy9ufKpERUW1atVKRNzc3NasWZPBA6Zdyubm5ubk5PSwHUUZuHbtmjGe1NQ8eonhsmXLnJycRKRTp07NmzcXkcKFC2/ZsuX+JaOjo0NCQlq0aOHs7FyhQoUsfC9ctCjr3/2++EKJqKxtHxnydAiVUvv27TMKMWDAAGPesmHDhmXlgVJTVenSSkQNHKhEVGCgVWtv3LixQYMGkpkiRYoYxyGsFRaW3KjRmhdesPq6XeS85ORkYwrEWrVqBQQEdO7cuVq1asbBpHv07dv31KlTWXuWkJdecrC1fffddx/t4LV18+bNmTNnpv9XXKJECT8/v4CAAG9v75YtWyqlTp48WbNmTREpW7ashaeJKqWMGYanT59eo0aNKVOmWDWqJ5/c4+JyO2+eLpN21HPAgAFpF4QcOXIkg1UuXbpkpD0LswccOaJEVMWKWRnqrl3K1VUNHpyVdQ15PYRKqQ0bNhjXYwYHBzs7O7dq1SooKMjqR9m2TYmoypVV1apKRG3dau0DnD9/vleGjG9M9vb2v1p/aGfQICWipk+3dj3kgsDAQGP7b9myZWk/TEpKOnny5Pr16+fOnRsQENCuXbty5cq5ubk99thjWXuWNWvWiEiVKlUsOeUKljMuZUu/NV+2bNkRI0Z8+eWXxhXf90zrlSnjIuNhw4aJSJcuXawaTLduSkQtXmzla8hmKSkpxj4wk8k0ZMiQey4IeaDIyMiGDRs2aNDAOIqUhT1bqamqWrVzTZuuioqy+qSX1FT18sv/MweLtfJBCJVSixcvnj59ulJq7dq1xlfvL774wqpHOPX222YPDzVggBJRJUtm0/l4kydPNo4WWHV5UFKSKlJEiSg9LrHN3xYtWmR83Rk+fLiIvPbaaw9bMjk52fhQ+O2337LwRKmpqRUrVhSRjbly/awGDh48GBQUZGzrGPtCRcTX1/dhZ9A8THBwsPxzq4qSJUtate7UqUpEvfKKVStlu2vXrtWtW9fR0fGdd95xdHQUkWefffZh50YYEhIS7O3tbW1tO3bsKCLpvyNazsfHR7I6R4wxB8vcuWrUKLV1q7L222P+CGF6CxYssPbac7PZXLFiRVcHh28CAo62anVn7NhsGptxLYSIFC1aNON9COn93/8pEeXllU2DwiPz559/GicNjhs3ztbW1sbG5pdffnngkmvXrvX19TXOHx46dGjWnm7atGki4uXlNW/evC1btlzieGE2MJvNu3btCgwMfO+994KDg7NwWHfr1q3Finn17v1xx46/NG9+7uJFK/YKhobenVk9TzFm1enVq1dqamr37t3vvyDkgerXry//XGaWwRfEDGRtjphff1WhoXcvwDCuOBdR5cqp8eNVRERG8U4v/4VQ/TOLroODg4XfHdLmzvby8hLL5s7OspSUlGeffVZEypUrd/bs2Xt+e/bstaVL1csvq5YtVdp2wo8/qjJl1BtvZN+g8AhERUUZE8/27dvX2Fn09ttvP2zhMWPGiIifn5/JZDIuGsvCM06ZMsXFxSX9QUdHR0cvL69evXpNmjRp7ty54eHh1p6bh0cuJsZsY6MKFVJt2igRtXq1FeueP69q1FAjRmTb4LJk48aNItK8eXOllIW33FFKGQk0dhF36tQpC8+bhTlivvxS2dkpZ2dlXNl/7Jh69VVVufLdHLZqNbJChQoBAQGZnsqUL0OolBo7dqyIuLu7W3JM29hjaUx75unp+YjPdL9PfHy8sY1ft25d46rbjRs3duvWrVSpUm5uZWxs7v4lffCBUv9MLz5/vspwxwNyWWpqqrHPp0mTJsYJF127ds3ga/Jff/0lIh4eHsYpiPefhZ+p7du329vbm0ymF154oV+/fs2bNy9atOgDT9Fat26dJTfLRPapUUOJ3D3w8vBvRw92zw0G8oIbN26YTCZnZ2erto+Nuxkbl4Fl7W7GxhwxZcqUseQUM7NZBQXd/SwNCPifybvNZvXbb2rsWFW37uNp/0zq1KmTwTHO/BrC1NTU3r17G39qp0+fznhh40ywF198UUQGDhyYA8O7fv26cTS+devWd+7cWbZsmfGXUaxYsb59Y/391fDhqk8f5eWlZs7M+txCyDETJ040jgD16tVLRGrUqJHppphx/wHjpINGjRpZ9XRnz541Ttww7knSo0cPR0fHKlWqdOjQYeDAgf7+/i+++GLPnj29vb0dHBxsbGysutkeHrk+fe5+HHfpkvmZLykp6pNPVNq38fQ3GMg70u5mbPkqaXczNk7vv3DhgrVPmpSUNGnSJOPUSGMKt4cV8c6dOwEB39vZKXt7lcHMPKmpqeHh4QEBASVLlqxatWoG57Lm1xAqpRITE9u3by8i1apVuz/1Fy9eDA0NDQoKMi70cXR0NM5cWLVqVc4M7/z58xUqVDA2HXbv3j1ixIgBAwb4+Pi0bv238S3G+M/f/+7cQsiz9u/fbzKZ7O3tjdlG3N3dLTkA/PXXX4uIj4+PsR/V8vvv3Llzp3HjxiLSvn174yu5cbXG/Q4cODBv3jwReeKJJ/7LC8R/ZMx/YMkUMbdvq65d717PvHy5eu+9f2cXy1P+y92MjanjwrI0Scy5c+f69++ffsKaNm3azJkzJ/3tza9fv96yZUsRad9+kYUn1iQnJz9sWlRDPg6hUiomJsbYT9W4ceMrV65s3bp11qxZPXr0MOb4Sc/T09PYILNk3vRH5cCBA56ensZlvGmeeGJ+gwZq5Ej13Xfq8GGrz25Cztu4cWOFChXat2+fnJw8bty4FStWWLLW7du3jUtgjX3yo0aNsvDp0u7hdT3dXXlv3ry5Z8+ehQsXvvnmm3369GnQoIG7u3t8fHxsbKzxqaHJbX3ypogINXGi2rAhk8UuXbr03HNXRVTRouqll5SNjTKZ1K5dOTJEK2X5bsZVqlQxbjrxVtYmiVFKKXXnzh1jQru0Y+S2trY+Pj5z5879888/jam7ypQpY/m1npnK3yFUSl28eNHYik+bNimtfE8//fSbb74ZFhZ25cqVjDcfs8/QoUNtbW0LFy7cu3fvDz/8MDw8PD4X7zKMLNm9e7fxLSohIcGqFY1PBOMkAg8Pj4xPQDd8/vnnIuLk5PT7779b+CzGPv+JEydaNTY8WsahvpAQ9bAZpQ4dOlSpUqUiRWq0bHm7f38lokwmlYUronPG6tWrRaRt27ZWrWX8A/n4449F5NlHMUFgTEzM/PnzO3funLY5YZy23aBBgyzses1Avg+hUur48ePvvPOOh4eHl5eXn5/f3LlzDx48eP+JDDExMcZUpX37vmnllUJZV69ePRHJwiX2yFOMd461V0ft3bvXxcVlwoQJxmQLo0eP/vPPPzP4JrRz507jAMliay6xznKn8QgZh/rGj1dFiig/PxUa+j9FvHTpknHHhqZNm/buPb5IEXOhQrl2s3FLGHcz9vDwsHaOmF27dhUtWtTd3X3//v2PcDw3btwwJrR76aWX/P39Lbx/iOUKQggNlpzme/Hixe7dg2xsUjt1UhafFZx1J0+eNN5M2X2eKrLbp59+KiJPP/20tSsa/2K7d++e/o6shQsX9vHxMWYlXbp06cGDB5OTky9dulS2bFmx4H7O98tap/EIGYf62rX79/B/2bLqnXf27t6921jgtdde69y5c8OGDUWkZctJ27fn7ngzl36OmBkzZuzatSvTKP7888/GFlv79u2zOCN0ZrIweZslCk4ILfT336pkSSWi+vbN/PhcXFxc+uM01jJus9K/f/8sPwLyiOjoaGdnZ5PJZNVdzg2rVq0ymUy2tratW7euXbu2sc13DwcHB+Mw9pNPPmnVdO2GLHcaj9zBgyoo6O59tKpU6SIixqVs8+fPN6YKqlKlSk6eqZBlXbp0Mb5dHT161HiXli9fPoNr8tLmJh06dKjlVx/mEdqFUCm1Z49ydVUiaup9c1ynpqojR65+9913I0aMaNCggZ2dXb9+/QYNGpSFzyalVK9eEa1bv7Ry5dpHMGjkNuOclzesnPjg2LFjxu1YPzCuG1VKKXXhwgVjVtJJkyb5+vpWqVLFxsbG3d3dwcHh4MGD8fHxf/75p1XP8l86jWyye3fC2LFjja18ETFuVNSiRYv0J0DmWWazuXXr1u7u7sWKFRs8eHCfPn3Sn4FYu3btadOmpZ2HmZKSYswgYTKZsjIRdB6gYwiVUhs3qho1lHEOfEKCWrVKvf66euop5e6u6tbdmfb3bWdnZ5ySN3DgQGs3yc+dUyaTcnZWOXY8Etlq27ZtIlK6dGnLv+3GxsYatyZ47rnnMn7/xMfHGxfsT5gwwdPTs1y5ctbO9ZW1TiO7paambtmyxc/Pz97e3s3NLV9MfZCYmGi8nYyJRg1169YdNmzYgAEDSpUqZfzEmEft9u3bXbt2NRZetGhRbo89izQNoVIqKenuiV7ffaccHf/ds1+9+p3evft88MEH4eHhcXFxe/fuNW41OWnSJKsePzhYiaiePbNp+MgFxhR9xqWoUVFRGd+jwGw29+zZU0Qee+wxS+ZxTrvdhDEVw8NmMb2fEea0Tmdt7wWyldlsNk6WyfsTxt64ccO4ENDV1TU0NDTtgvS0Inp5efXv379nz54HDhy4dOlSo0aNRKRIkSJbrb+lT96hbwhVujkdRo9Wr72mVq5UD3yXbtiwwfhm9NFHH1n+4K1bKxH1ww+PbLTIdR988IGI+Pr6KqU++ugj48OiQYMGffr0efPNNxcuXLhnz56089nefvtt47yYjK/kTZN2uwnjootu3bpZslZ8fHzjxo2DgoIuXbrk7u7+4osvcn1O3mTUZbVVU5H+N2mTtxmXxWcwA0ua06dPG9/DSpcunf4CnqSkpF9//XXAgAHGpbEiYmNj07hxY2PrsFq1asfy5j0VLaZvCFNSVFCQ+r//s2hOhx9++MHGxsZkMoWEhFjy4HfuqKpVlaOjyp4zp5A7rl+/7ujoaGtru3Pnzvfff7948eL3n/YyZ84cpdT//d//GbensOqDz7jdxLPPPuvo6GhnZ2fJlVLG3X9q1aplTGrapk2brL88ZKeXX35ZMpyo/ZFL+6IfHKzWrFFz56pLlzL6RPrzzz+NI5p169aNjIx84DIJCQnGpe7GfrL69es3bdr0ypUr2fUacoq+Idy0SYmo1q0tXd64NYm9vf3atZae/GLZlgDyk+eff75q1arGeZ7G5J8DBgwYMmRIv379unTp0qBBg23btp0+fdqYIPudd96x6sHPnTtna2vr4ODwzDPPWLK68Z50c3MzjuiULl360V5ljEfoxx/DmjfvM3bsyhx7xo8/vjt5W9oW4YgRytFR+fqqkBB1z5V4a9asMc6HaNeunSW3NImNjV28ePHVq1cLxh4IfUM4erQSUa++asUqxnc6Nze3iIiIe351547asUN9/LF64QX1+ut5cUZ5PBLJycmzZs0yLrG6X5EiRZo1a2bsL3r22WezcM2Tcc66cdffypUrZ3CDi40bN9rZ2ZlMpsDAQOMrWqb3mkEuOnRIiajKlXPo6ZYsUYUK3bs7tHdvlXb3mzZt/H19fZcuXZqYmDhv3jzjhueDBg3Kd1c+PBKahtBsVuXKKRF1X9EyXsts3Gq1ePHiR44cOXr0aEhIyOjRo7t0CbC3//d0m7p1/90pwa7RgiohIeHgwYNLly6dMWOGv7+/j4+PcZmEiLRq1aply5a3bt3KwsOuXLnS2NVpbHc+7I6bkZGRxo7Z4cOHG5cwz5s377+9IGSv1FTl6qpMJhUVlZXVDxw4sHTp0s2bN1tyj9y33lImkxJR95/hd/GiCg5WrVolurvffbsa83maTKZp06ZlZWQFgqYh3LFDiahKlZS1X9mTkpI6dOgg/0x5989xYztPT3O9emrYMPX11+rAgbvTTAwbpooXt661yNcuXbq0ZcuWvXv3ZvkRkpOTy5QpIyJTp05dvHjxA2dNu3PnjnGqXtu2bY17BQ8fPvw/jBo5pHlzJaI2brRuLbPZHBQUZGtra+xvL1asmL+/f3h4+AP3NyQlJb366n4RZWurPvsso4c9e/bsxx9/XLVqVQcHh7Jly9rZ2W20dmQFiKYhfP31D1q1mj9tWlYOqBhnTHh6epYtW/a55557//33t2zZEhv7gEnU/PyUiCpZUnGVMyz32muviUj37t0ftk15+/btnj17Vq9e/amnnhKRZs2aMctovmAcjpk1y4pV4uPjjTsiOTg4dO/e3dhPYKhcufLkyZPTz71w69atTp062djYPfFEZGioRY9v3CquX79+IjLLqpEVLJqG0PgevT1L8/2FhoaKyOOPP57pkklJqmNHY6alB1+YAdzv5MmTxYoVc3JyMq6+8Pb29vPzM2YljYiIMM5NMJvNo0ePFpGSJUtmfDkj8o4//lC//qosn7Qx7cZ7hQsX3rx5s1KqR48e/v7+I0eOND7B0oo4adKkLVu2GFPOlipVyvJ9Et26dUu7Yqdv375ZelkFgY4h/P333423iyV72+83cOBAEZk+fbolC8fGqkaNVPHil7t1G5y1g0bQ0K1bt+rVq2e08B52dnbVqlVr1KiRca9gTpDJL6y9qu/vv/+uUaOG0TnjZpN///132tvAy8tr8ODBffv2LVGihPET40ZFderUOXPmjOWjmjp1qogYn2m1a9fO8qvL7+weePJbwfbTTz+JyHPPPXfPLQwtkZycHBYWZqxuyfKurvLrr9Kz56BVq9Y+99y51atXP3DOZSA9Nze3/fv3i8jNmzcPHTp0+PDhU6dOnTp16tChQ8ePHzc+ELt06dKpUydjiwF5X/36snWr2NlJVJSsXStJSdK3r7RsKT17yj8t+9euXbu6det27dq1xo0bh4WFGRO7VK5cefPmzT/++OPy5csPHz58+PBhEWnUqJGfn9/ly5d/+uknW1vb8PBwYwobCxl3w7hw/nz3mjU7FS2q4uJM/9wLVy+5XeJcEBgYaGdn9/XXX2dh3f/7v/8TES8vL6vWOnXqlHHCfZ8+fbK2GQoYEhMTjxw5smLFCktu84u8wziBLu2qvqCguyeZ29qqDh3M33234ObNm8aSy5YtM3YGdOvW7YF/yykpKeHh4f7+/saJyq+++qpSyjjHytpZ12POn4+tW9dcrpxq0ECJqB07/uPLzKd0DOFXX30lIuXLl8/CwRXjAq8333zT2hX/+OMPY3YiY6ZKADq7fVstWqSeeUY5OKj69W+KiKOjY9euXQcPHmzsqfL398902tg7d+78/PPPxhx+vr6+IrJ06VKrh2Lcl65PHyWiPv00ay8nv9MxhPHx8cZ8VF5eXlHWXNSTmppqbNhZe5ccw6ZNm6yarRRAgXfjhlq06Pd27drZ2tqKSKlSpbJ2M6MpU6akbR1ap0MHJaL8/ZWIGjLE6tULBKsPkhUATk5OYWFh9evXP3z4cOfOnePi4ixccfv27ZcuXapcuXL9+vWz8Lxt27YdN25cFlYEUFAVLix9+zZcv379hQsXAgICLl++7OXlNXXq1GvXriUkJFj+OA0aNBCRffv2WT2Chg1FRJKTRUSysHqBoGMIRcTDw+PXX3+tWLHi7t27n3/++ZSUFEvW+vnnn0XEuLcOADxCJUuWnDZtmslkOnXq1HPPPVeiRImtW7davroRQuOUeOt4e0utWlKjhrz/vgQHW716gaBpCEWkTJky69evL1GixC+//DJkyBClVMbLK6VWrFghIsb1rQDwaHl6elauXPnOnTvGvR2s2ryrWLFisWLFrl+/fv78eeuetUcPOXJEqlaV6tUlKsq6dQsKfUMoItWrVw8LC3NxcVmwYIGxh/0eKSkphw4dmjdv3oABA2rVqhUTE+Pm5ubt7Z3zQwWgA+N6BuOs0T/++MOqdbO+d1RErl6V7t3l0qWsrJv/aR1CEWnSpMmSJUvs7OymT58+e/ZsETlx4sTChQsDAgKaNWvm4uJSt27d4cOHL1iw4Pjx46mpqbGxsaNGjcrtUQMomIyY3blzR7IaQmvXuqtECQkLk4fcVqXA0/GC+nt06dJl3rx5Q4cOHTduXFBQUExMTNqvbG1t69at26RJk6ZNmzZt2jQ+Pr59+/ZfffVVqVKl3nrrrVwcM4ACydgijIyMdHZ2PnnyZHR0tKenZ6Zr3bp1y93d/T+FsFevrKxVUJgyPTamiZkzZ0ZGRs6ZM6d06dLe//Dx8SlSpEj6xVavXt29e/eUlJTZs2cHBATk1mgBFEhXr14tWbKku7t77dq1d+/evXnz5jZt2mS8ysqVKwcPHvzTTz+5ubk1adKkcuXKp06dypHBFiC5fPlGXhIfH3/27NlMF1uwYIHJZLKxscnKtasAkKGyZcuKyAsvvCAimV55HBwcbFyAP2zYsJo1a/K5lDW6HyNMz8nJqXz58pku1r9//+nTp5vN5v79+69fvz4HBgZAH8be0cKFCzdt2vSePVLppaamBgYGjh07Vin14osvhoaGHjt2rE6dOs2aNcvBwRYQhDArXnvttbFjxyYlJfXs2TOLe+QB4EGMQ32urq6//fabcV+I+yUkJPTt2/eTTz5xdHQcO3bsDz/8cOXKlfbt22/fvt2Sb/O4ByHMoo8++sjPz+/WrVsdO3Y8ceJEbg8HQAERHR3t6ur6ySefDBgwICwsLNmY8yWdK1euPPHEE0uXLi1SpMjw4cNnz54dHx8/ZMiQ1atXGxMaw1qcLJN1iYmJnTt33rRpU7NmzXbt2pXbwwGQvymlpk6d+vbbbxv/2/hhiRIlevbs+fzzz/v4+BiHA6Oionx8fJKSknx8fBYuXGgymaZMmWLcWRBZlLuHKPO7mJiYZ5555uDBg7k9EAD5W2Jiop+fn4jY2tp+/vnnp0+fnjFjRu3atdM+q8uWLRsQEBAeHm42mw8ePNixY0cRcXR0XLRoUW6PPd9jixAAcll0dPRzzz23efNmV1fXxYsXG/dUMuzfv//HH3/88ccfz5w5Y/ykatWqqampZ86cKVq06MqVK7k5839HCAEgN124cKFLly779+8vXbp0WFjYwyZxPHTo0IIFCxYsWHDx4sWWLVtevHhx9erVtWrVyuHRFkiEEAByzf79+319fc+fP1+3bt3Vq1dXqFAh4+XNZvPWrVtr1Kjh5OSUwcUVsAohBIDcsW7dul69esXGxj711FM//fSTh4dHbo9IU4QQAHLBwYMHH3/88dTU1MGDB8+dO9fe3j63R6QvQggAuWPixInu7u5vvvlmbg9Ed4QQAKA1ZpYBAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCADQGiEEAGiNEAIAtEYIAQBaI4QAAK0RQgCA1gghAEBrhBAAoDVCCBGRa9euXb9+PbdHAQC5gBDqbt++fU888UTLli2rV68+YMCAK1eu5PaIACBHWRFCs9m8fPnyc+fOZd9okJMuXLgwcODAxo0bb9u27cqVK3FxcQsWLKhVq9bs2bNTUlJye3QAkEMsDeHKlSuffPLJXr16VahQoUyZMs8888zUqVM3bNhw586dbB0fskN8fPzMmTNr1649f/58W1vbfv367du37/Dhw126dImOjh47dmzdunXXrVuX28MEgJxgUkplulBCQkKdOnVOnTpVp06dS5cu3bhxI+1XDg4ODRs2bNasWbNmzVq0aFG+fPnsHC3+K6XU8uXLJ06cGBkZKSJPP/106dKlFy5cOGLEiM8++0xENmzYEBAQcOTIERHx9fX99NNPK1WqlLtjBoDspSzw1ltviUidOnWSk5OVUidPngwJCQkICPDx8bG3t097KBcXl6ioKEseELnit99+a9GihfGX1aBBg+HDh7u7u4uIvb39+PHj0xZLSkoKDg52c3MTEScnp6CgoDt37uTisAEgW2W+RXju3LnatWvHxcVt3ry5TZs29/z21q1be/bs2bVr17Zt2zZt2lS0aNGrV68+ukzjkdm1a5dRwXLlyvXq1WvVqlWnTp0SkXbt2n388cd169a9Z/lz585NnDhxyZIlIlKrVq2//vor/ZceACgwMg9hr169li9f/vzzzy9evDiDxcxms6OjY2pqamJiIp+YeVC9evXOnDkzbNiw6Ojob7/91vjJhx9+2K5duwzW2rp165AhQxwcHMaMGTNq1KicGiwA5JxMQrhp06annnrK2dn58OHDFStWzPixypQpc+nSpXPnzpUrV+6RDhKPgIuLS3x8fFxc3J9//tmtW7c33njjpZdesrW1zXTFr7/+etiwYUOGDPnmm29yYJwAkMMyOms0JSVl7NixIvLGG29kWkERKV26tIhcvnz5EY0Nj5LZbBYRGxubFi1anDt3LjAwMNMKvvDCCyaTae/evcaKOTFKAMhxGX26ffbZZwcOHKhateq4ceMseaxSpUqJyKVLlx7N0PBIpYVQRAoVKmT5KsY+A0u2HQEgP3poCK9evTpt2jQRCQ4OtvBzky3CvCw1NVWs7JkRQgNbhAAKqod+us2cOTM6OrpTp06+vr4WPhZbhHlZ+i1CCxntNBBCAAXVQz/dOnfu7OTk5OTklOlppWmMELJFmAfdvVbGZDKZTJavxa5RADp4aAg9PDxsbW1//vnnoKAgCx+LXaN5VhY2B4VdowD08NBPt0aNGi1ZssTOzu7tt9/+/PPPLXksdo3mWVk4QCiEEIAeMvp069y585w5c0QkMDBw1apVmT6WkcC///47KirK2nEcPHjw7Nmzf/31l7UriogsWyYrV8rPP2dlXT2k3yKMj4/fuXOnJWs5OzsXLlzYWIsQAiioMvl0e/HFF998883U1NS+ffvu2rXrgcskJSUtW7bMx8enV69ednZ2N27cqF69+uzZs9OfapGBqKiowMDABg0aPPfccw0aNBgwYIAVd4g9c0auXJGrV6V7d7lwQY4csXRFEbl+/d+CxsZasaKImM1Zr+9/yXZW101MTDT+h1JqxowZPj4+zzzzzNmzZzNea+nSpTdu3DAmUucYIYCCKvOv+dOmTRs8eHB8fHzXrl1PnDiR/ldXr16dPn16pUqVevfuvXPnzmLFir344outW7e+efPm2LFjvb29w8PDM3jkxMTE999/v0qVKp988olxHoeNjc2CBQtq1649b9689PvlHiAuTqZOldq1ZfJkKVFCwsJk/36pV0+GD5dMt0ejoiQwUCpWlMOHpXt3uXRJunaVp56SQ4cy/dOQc+dkwAAZN+5ufY8ckccfl2XLMl9RRA4ckO7d5cSJu086f77MmiVJSRatu327fPXV3Se9dEk++EAsPha7YcMGHx8fZ2dns9ncuHHja9euOTk5/fLLL3Xr1n3//feTHj4ApdSyZcs+/fTT+vXr16tXz8KnA4B8xpKZuZOSkjp06CAiVatWvXLlilLqzz//9Pf3d3Z2Nh6kZs2awcHBcXFxxvKhoaGVK1c2fuXr6xsZGXn/Y4aGhlapUsVYpl27dgcOHFBKHT161HgiEWnQoMH27dvvXzE1JUV9+aUqUUKJKJNJDRigUlOVUurVV5WtrRJRJUqob765+8N73LmjZsxQ7u5KRNnbq9GjVWio+vxzVbjw3Z9MmKBiYh78pxAToyZNUoUKKRHl4aG+/16FhqpnnlEiSkR17qyOH3/on+CVK8rf/+7wOnRQoaHqhx9UsWJKRNWsqdauzehP/+xZ5eenTCZVqJD6/HMVGqpeeUWJKBcXFRSkEhMzWPWvv/5Km0q0fPnyJUqUEBEbG5sXXnihV69exs+rV6/+yy+/3L9ueHh448aN0/6CMhohAORnFoVQKXXr1q2GDRuKSI0aNVq1amV8PtrY2HTt2nXjxo33Lx8fHz9jxgxXV1cRcXZ2Tn8rn4iIiNatWxuPUKtWrdWrV9+zbmhoqHEPPJPJ1KtXr7Nnz6b9asOGDfXr149q2FCJqCZN1I4d/7Pmn3+q1q2VyPlSpdq2br179+6035jN5iVLlnzYufPdbvn6qqNH/13x2jXl769sbJTIj506hYSEmM3mtF+mpKTMnTs32sdHiSgbG+Xnp86du/u75GT18cfK01OJKEfHb959NzY2Nv2I7ty5s/bTT/9Nb0CASrtT1fr1qnZtYzxX+/c/efLkPX8OMTEx0W+/rRwdlYhydlZBQer2baWUOnFC+frefSG1a1/bvPn+P//r168HBAQY+zMLFy48Y8aMhISE27dvBwUFOTo6ioinp+fQoUNr1qxp/EWMHj06bd2zZ8/6+fkZF1qUKVNm7ty5KSkp9z8FABQMloZQKXXx4sVKlSqVLVtWRNzc3Pz9/Y8cOZLxKufOnfPz8zM+aqtVq/b999/7+/sbp10ULVo0ODjYuMHh/eLi4oKCgowZbVxcXIKCgvbv39+lSxfjocY++aRatuzBT2k2qx9+GNWpk9HpwYMHX758effu3T4+Psa6kT16qPXrH7xuRERMu3YlihUTkebNm0dERKh/0isiI+rWVa1aqb17H7Di9esqICCsaVOjHGkdTdvqja5fX7Vrpw4cuHfF5GQVHKw8PAa3bOng4BAQEHDr1i2lVGpqakhISKlSpd5s1EiZTKpXL3XmzL3rrl+vvLzinJ0rlCnj6+t76tQp48eJiYnBwcEeHh4iYm9v7+/vf/Xq1fTrHT9+PO1PskaNGiNGjPDw8Fi5cqVSyiil8cfu7Ow8adIkYzwAUIBZEUKl1KlTp06cODF79uyYh+0/fJD169d7eXkZn60iUqhQocmTJ1vyCCdPnuzatavxkW3c2snDw2PmzJkJCQkZrxgbGzt58mRj08fJycnYuClZsuS8efMy3rgxm80hISHGBZE2NjbVqlUznr1KlSpLly7N+El/37OnSZMmxvLe3t7GBrSI1KtX77cHbTSnSb10adDAgcYgy5cv//rrr6fdHbBly5a3IyIeumZi4pbPPzc2u52cnKZOnbp8+fL7dzg/UPpd008//bRxs+WSJUumbYifuT+9AFAQWRfCLEtKSvroo4/mzZs3cODA06dPW7XumjVrGjVqNGrUqOHDhxtHKC104sQJX1/fVq1aeXp6BgQEREdHW7hi2i7E1q1bu7q6Wn6LdqOjJUuWLFSokL29fbFixYKDgy3cr7h3795mzZqJSPHixY0i3rOH9mHOnz/ft29fo6PG/61Xr96GDRsyXfHOnTtvv/122rcTI4qtWrXa+8CtXgAooDK/MW9+Fx8fr5RycXGxdsW///7b2MFolMly0dHRe/fuTUxMfOKJJ9zc3Cxf0Ww2f/311xUrVvzrr78CAgKMLVoLhYeHz5kzp1y5ctWrVx8yZIjlVztcuHDh1VdfdXV1XbduXVBQUNrRQQDQRMEPISxhfC3iqnkAGiKEAACtsQUAANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGuEEACgNUIIANAaIQQAaI0QAgC0RggBAFojhAAArRFCAIDWCCEAQGv/Dxao56vF26ZJAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=600x800 at 0x7F8829A6CC50>"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Draw.MolsToGridImage(mols, molsPerRow=3)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "def is_in_samering(idx1, idx2, bond_rings):\n",
    "    for bond_ring in bond_rings:\n",
    "        if idx1 in bond_ring and idx2 in bond_ring:\n",
    "            return True\n",
    "    return False"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "def getLinkerbond(mol, useScaffold=True):\n",
    "    res = []\n",
    "    for atom in mol.GetAtoms():\n",
    "        atom.SetIntProp(\"orig_idx\", atom.GetIdx())\n",
    "    for bond in mol.GetBonds():\n",
    "        bond.SetIntProp(\"orig_idx\", bond.GetIdx())\n",
    "    \n",
    "    if useScaffold:\n",
    "        mol = MurckoScaffold.GetScaffoldForMol(mol)\n",
    "        \n",
    "    ring_info = mol.GetRingInfo()\n",
    "    bond_rings = ring_info.BondRings()\n",
    "    ring_bonds = set()\n",
    "    for ring_bond_idxs in bond_rings:\n",
    "        for idx in ring_bond_idxs:\n",
    "            ring_bonds.add(idx)\n",
    "    all_bonds_idx = [bond.GetIdx() for bond in mol.GetBonds()]\n",
    "    none_ring_bonds = set(all_bonds_idx) - ring_bonds\n",
    "    for bond_idx in none_ring_bonds:\n",
    "        bgn_idx = mol.GetBondWithIdx(bond_idx).GetBeginAtomIdx()\n",
    "        end_idx = mol.GetBondWithIdx(bond_idx).GetEndAtomIdx()\n",
    "        if mol.GetBondWithIdx(bond_idx).GetBondTypeAsDouble() == 1.0:\n",
    "            if mol.GetAtomWithIdx(bgn_idx).IsInRing()+mol.GetAtomWithIdx(end_idx).IsInRing() == 1:\n",
    "                bond = mol.GetBondWithIdx(bond_idx)\n",
    "                orig_idx = bond.GetIntProp(\"orig_idx\")\n",
    "                res.append(orig_idx)\n",
    "            elif not is_in_samering(bgn_idx, end_idx, bond_rings) and mol.GetAtomWithIdx(bgn_idx).IsInRing()+mol.GetAtomWithIdx(end_idx).IsInRing() == 2:\n",
    "                bond = mol.GetBondWithIdx(bond_idx)\n",
    "                orig_idx = bond.GetIntProp(\"orig_idx\")\n",
    "                res.append(orig_idx)\n",
    "    return res"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6da80>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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0ml+9RkELjcFXW6empvb29q5btw41lIdo7yrA8Lt//z4zIKOwsJD9qv7+fmZAxr59+7jLZu7ee+89QsgzzzzT19fHftWFCxcIIXZ2do2NjdxlA1pQRvmJmeHk5eWlVqvZr/rXv/5FCHFwcGhubuYum/lqbW0dPXo0IeSrr75iv2pgYMDHx4cQkpOTw102oAhllJ/6+vqYjdH9+/frtZAZHhwfH89RMLO2ceNGQsj8+fP1WvXxxx8TQtzc3FQqFUfBgC4cMfHW6dOnlyxZ4uTkJJPJxowZw3LV7du3vb29BwYGrl27ptcxNO/duHFj5syZlpaWN2/eZD8eVC6Xi0Sitra206dPL168mNOEQAuOmHgrOjo6MjLy4cOHu3fvZr9qcBR0UlIS/sT+FDNiOTExUa8Ry9nZ2W1tbeHh4aihPIZulM8qKip8fX0JIWVlZcz2HBsKhUIsFt+/f//EiRPLli3jMqDZOHHixIoVK5ydnWUyGbM9yoZUKvX19dVqtWVlZdOmTeM0IVCEbpTPvLy8Nm7cqO979Q4ODrt27SKEpKam9vT0cBXOfPT29jJvj7399tvsayghJDk5Wa1Wb9q0CTWU5yjvzQLH2tvbmY3Rs2fPsl+l0WiYjdE9e/Zwl81cMLsivr6+AwMD7FedOXOGEOLo6PjgwQPusoEpQBnlvw8++IAQMnXq1N7eXvarvvnmGwsLi5EjR9bW1nKXzfQ1NDSMGjWKEFJUVMR+VV9fn0gkIoR8+OGHnEUDU4Eyyn9qtfrZZ58lhOTl5em1cOnSpYSQ1atXcxTMLMTGxhJCli1bpteq3NxcQoinp2d/fz9HwcB04IhJEC5cuPD888/b29tXVVUxQ4bYqK+v9/DwUKlUly9f1uuiId4oKSkJDg62traWSqXMfGs2WltbRSJRZ2fn+fPn582bx2VAMAk4YhKEiIiIhQsXdnV1MR/OszRx4sSUlBSdTpeUlKTVarmLZ5p0Op1EItHpdFu3bmVfQwkhmZmZnZ2dUVFRqKFCQbcZBqO5ffu2tbW1paXltWvX2K8aHAX917/+lbtspunTTz8l+o9YLisrs7S0/N3vfldVVcVdNjApKKMCsnXrVkJIUFCQXgPbP/vsM6L/KGhz19XVNW7cOEJIQUGBXgtDQ0MJIenp6RwFAxOEMiogg9PXjx07xn6VVqtlNkYzMzO5y2Zqtm3bRgiZNWuWXn9yjh49SggZO3ZsR0cHd9nA1KCMCsuhQ4cIIRMmTNDrQfX69evMg6pMJuMum+m4c+eOjY2NhYXFd999x35VT0/PpEmTCCF/+ctfuMsGJghHTMLy2muvBQQENDQ05Ofns181Y8YMA0ZBmy/DRizn5ubW1tb6+fnFxcVxlw1MEF54EpyrV6+GhITY2NhIpVKme2KjpaVFJBIpFIrCwsLIyEhOE9J18eLFiIgIOzu7qqoqZnuUjYaGBg8PD6VSWVxcPGfOHE4TgqlBNyo4s2fPXrFihUqlYrb/WHJxcWFa0eTk5IGBAc7SUabRaJj5A9u3b2dfQwkhaWlpSqVy1apVqKFCRHtXASior69nPnAsLi5mv8rgUdBmxLARy1euXLGwsLC1tb137x532cBkoYwKVHZ2NiHEz89Po9GwX/X3v/+dEOLk5NTW1sZdNloePnz41FNPEUJOnTrFfpVGowkICCCEZGdncxYNTBrKqEAZfKzMbIxu2bKFo2AUJSYmEkLCw8P1WmXYyw/AJzhiEq5jx47FxMSMHTtWJpM9+eSTLFcNjoIuLy9nJp7wg2Ejlru6usRicXNz87Fjx1auXMlpQjBZOGISLuY8pLW1de/evexXeXl5bdiwYWBgQCKRcJfN+FJSUtRqdXx8vF4jlnfv3t3c3Myc2nGXDUwculFBKy8vnzlzppWV1c2bN5n5mGw8fPhQJBK1t7efPXt24cKFnCY0jrNnzy5atMjR0VEmkzHbo2zcuXPH29tbrVaXlpYy26MgTOhGBc3Pz+/VV1/t7+9nPrdnycnJiZkUlZyc3NfXx1k6Ixn89Xft2sW+hpIff/24uDjUUKGjvTkLlLW0tDAbo+fPn2e/anAUdH5+PnfZjCMvL4/oP2L566+/JoTY29s3NTVxlw3MAsooGDiqnR91ZIh/RfS9UAB4CWUUDL84aMGCBYSQ119/naNgRrB+/XpCyMKFC/VaZdj1VsBXOGICQgw9Y5HJZD4+Pg4ODtXV1XrdPGwiOjo63N3dFQqFwE/YYIhwxASEEBIVFfXiiy/K5XLmhnqWRCLR8ePHKysrzbGGEkJGjx5dWVl5/Phx9jWUELJz58729nbmXhbusoEZQTcKPzDs/XOhGfz6oKyszMfHh3YcMAnoRuEHnp6emzZtGhxxBI/EDLj64x//iBoKg9CNwv/I5XKRSNTW1nb69OnFixfTjmNyTp8+vWTJEicnJ5lMNmbMGNpxwFSgG4X/cXR0ZPZGmfHvtOOYlsHh/3v27EENhZ9CGYWf2bRpk4+PT01NzZ/+9CfaWUzLvn37qqurvby8Nm7cSDsLmBY81MMvGXaLBr8J5w4VMAC6Ufil8PDwxYsXd3d379ixg3YWU5GRkaFQKKKjo1FD4f9DNwqPUFNT4+3t3dfXV1paqtftmLz0/fffBwYGWllZ3bp1i7lGBeCn0I3CI7i5uUkkEp1Ol5SUJPA/tDqdTiKRaLXa1NRU1FB4JHSj8Gjd3d0ikai5ufnIkSOxsbG041Bz5MiRNWvWuLi4yGQyBwcH2nHAFKEbhUezs7NjpuJnZGQolUracejo6elhNojfffdd1FD4NSij8KvWrVsXGBjY2NjITNIToJycnLq6On9//7Vr19LOAqYLD/XwW0pKSoKDg62traVS6eTJk2nHMar6+noPDw+VSnX58uWQkBDaccB0oRuF3xIUFBQTE9Pb25uenk47i7GlpKT09PTExsaihsJvQzcKj9HY2CgWi5VK5aVLl8LCwmjHMZIrV66Ehoba2NhUVla6urrSjgMmDd0oPMb48eOZVlQikWg0GtpxjEGr1TJvemVmZqKGwmOhG4XHU6lUnp6etbW1U6ZMsbe3px2Hc11dXXfv3p00aZJUKrW1taUdB0ydFe0AYAZsbW0/+eSToqIi4RzZZ2RkzJ07FzUU2EA3CmzJ5fK6ujraKYzE1dXV0dGRdgowDyijAABDgiMmAIAhQRkFABgSlFEAgCFBGQUAGJL/A/zsHD8tDhMEAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6dad0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6db20>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f620>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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6oYJ2IEZ1Lr1TJj2OHv0n5DW7E4yeDtuH+UCM6l8ymWxrazOZTHRkRH+8zWazz+fjXZp++Hw+s9lMny19yCaTqa2tDUfbZQNDKpUikAWmpqZ+/fXXjo6O8fHxxsbGH374gX4aBbnE4/Hffvvt999/Lyoqqq6u/vHHH2lfUtA9xGh2oX/c0pgUZIcnnIUQowAATIy8CwAAEBtiFACACWIUAIAJYhQAgMm/V2k8oxNCPngAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6dbc0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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tJvKSoqFihoyKy4MHD2JiYrq6uhITE+Pj42375KItKRoqcsiouKSmpv7www8vvPDCgQMH7PH8IiwpGgrIqIicO3du//79MpksLy9vwoQJdnoVUZUUDQWCjIqH+aTPDz74YIwnfVpMJCVFQ4FCRkXBaDQmJCTcvn07MjKSXlTU3gRfUjQUzJBRUfjwww/Ly8vpSZ9SKU9/6QIuKRoKgyGjwlddXZ2eni6RSI4cOUIvuswbQZYUDYVhkFGB6+7ujouL6+/v/9vf/qZUKvkfILCSoqHwKGRU4F577TWtVjt//vyMjAxWGwRTUjQURoSMCll2dnZeXp63t/ewO33yTwAlRUPhcZBRwbpx44ZKpSKEHDx4MDg4mPUc5y4pGgqjQEaFSa/Xx8fHd3V1xcTEJCYmsp7zkJOWFA2F0SGjwpSamnrp0qXnn3/+n//8J+stQzhdSdFQeCJkVIBKS0v37dvn6upq15M+LeZEJUVDYSyQUaFpbW1NSkoymUwZGRmLFi1iPWdkTlFSNBTGCBkVFJPJlJycfPv27RdffPHtt99mPWc0Dl5SNBTGDhkVlD179pSUlPj5+Z04cYK3kz4t5rAlRUNhXBz93zQYu5qamp07dzI56dNiDlhSNBTGCxkViO7u7o0bN/b392/btm3dunWs54yDQ5UUDQULIKMCsXnzZq1WO3fuXIYnfVrMQUqKhoJlkFEhOH78eG5urre3d2FhoYeHB+s5lmBeUjQULIaMOr2GhoYtW7YQQj799NNZs2axnmM5hiVFQ8EayKhz0+v1cXFx9+7d4zguKSmJ9RxrMSkpGgpWcuiMHj58+KeffmK9wqGlpaU55kmfFuO5pGgo2IDJId24cWPixIl0YUhIyPbt2ysrK1mPcjilpaVSqdTV1fXixYust9hYfX09/cxWZGRkb2+vnV6lra0tLCyMEBIUFNTc3GynVwHBc9CM6vV6jUbzyiuvyOVyc/GDg4PT0tJqampYr3MIOp2Ohmb37t2st9iFvUuKhoKtOGhGzQwGQ2VlpUql8vf3N/d02rRpKpWqsrJyYGCA9UA2jEYjvSPIsmXLDAYD6zn2Yr+SoqFgQ46eUbOBgQHa06lTp5p76ufnl5CQoNFo9Ho964G82rNnD/3jCz4B9igpGgq25TQZHay2tjY9PX3mzJnmnioUCtrTBw8esF5nd9XV1W5ubhKJ5PTp06y38MG2JUVDweacMqNmtKezZ88291QulyckJBQWFnZ3d7NeZxfd3d30jiBbt25lvYU/tiopGgr24NwZNautrc3MzAwPDzf31MvLS6lU5uTk3Lt3j/U6W6J3BJk7d+79+/dZb+GV9SVFQ8FOBJJRs5s3b2ZlZYWHh0skEtpTT09P2tOOjg7W66xVUFBACPH29r527RrrLQxYU1I0FOxHaBk1a2pqoj01X3bT3d09IiIiKytLp9OxXmeJhoYGekeQI0eOsN7CjGUlRUPBrgSbUbPW1tacnBylUimTyWhPXVxcwsPDs7KyWlpaWK8bK71eT+8IsmHDBtZbGBtvSdFQsDfhZ9Ts7t27tKdubm60p1KplPb0l19+Yb3uCVJSUgghAQEBbW1trLewN/aSoqHAAxFl1KytrS0nJ4fjOG9vb/OPpEJCQtLT07VaLet1I6ioqKAnfV64cIH1FkcxlpKiocAPMWbUrKenR6PRJCQk+Pr6Duvp1atXWa97qLW1lfYiIyOD9RbHMnpJ0VDgjagzatbb20t7ar4eioNcEsVoNNI7ggj7pE+LPa6kaCjwCRkdoq+vr7y8XKVSTZo0ydzT6dOn01P4jUYjz3v27t1Lzyloamri+aWdxaMlRUOBZ8joyMyXRBl8i83AwEA+L4ny448/enh4SCSSU6dO8fByzmtwSVtaWtBQ4JnEZDIReDyj0Xjx4kW1Wn3y5Mnm5mZ60M/PLyoqiuO4qKgo8+eobKunpycsLKy+vl6lUu3fv98eLyEkV69eXbFihU6n8/X17erqmjVr1jfffOMsd5kGZ4eMjkNdXZ1arc7Pz9dqtfSIQqFYs2YNx3GrV682f47KJpKTk48dOzZnzpzLly97enra8JmF6vr168uXL5fL5QaDAdexBz4ho5agPS0sLLx27Ro9IpfLlUrlunXr1qxZM/hzVJZRq9UxMTFeXl7V1dWDL7wCo9PpdM8880xHR4dCoWC9BUQEGbVKXV1dcXFxUVHRhQsX6BEvL68VK1ZwHPfSSy8N/hzV2DU2NoaGhnZ2dh4+fHjTpk023QsAtoeM2kZjY6NGo1Gr1fS2SIQQDw+PiIgIjuPWr18/+HNUozMYDEuXLq2qqoqOjv7yyy/tORkAbAMZtbGff/75q6++UqvVVVVVRqOREOLu7r5kyRKlUhkbGzv4c1QjSktL2717d0BAwJUrV55++mleJgOAVZBRe7lz587Zs2fVanVpaaleryeEuLi4LFq0iOO4mJiYEX+I/O23365cuVIikZw/f37wtVMBwJEho3b366+/lpSUqNXqsrKy/v5+QohUKl28eDHHcdHR0c899xx92N27d+fNm9fS0rJr166dO3cynQwA44CM8qe9vb2oqKi4uPjMmTM9PT30YEhICMdxsbGxKSkpGo1myZIlFRUVLi4ubKcCwNghowx0dXWVlJScPHnyzJkzvb295uMKheLKlSvm96cA4BSQUZboKfxqtVqj0ezYsWP27Nn07vMA4ESQUYfw4MEDes9k1kMAYNyQUQAAq0hZDwAAcG7IKACAVZBRAACrIKMAAFb5H8mrdzhJvzzPAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6dc10>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f5d0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f850>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f620>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f5d0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "for mol in mols:\n",
    "    bonds = getLinkerbond(mol)\n",
    "    if bonds:\n",
    "        res = Chem.FragmentOnBonds(mol, bonds)\n",
    "        display(res)\n",
    "    else:\n",
    "        display(mol)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6da80>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6dad0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f210>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f9e0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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6oYJ2IEZ1Lr1TJj2OHv0n5DW7E4yeDtuH+UCM6l8ymWxrazOZTHRkRH+8zWazz+fjXZp++Hw+s9lMny19yCaTqa2tDUfbZQNDKpUikAWmpqZ+/fXXjo6O8fHxxsbGH374gX4aBbnE4/Hffvvt999/Lyoqqq6u/vHHH2lfUtA9xGh2oX/c0pgUZIcnnIUQowAATIy8CwAAEBtiFACACWIUAIAJYhQAgMm/V2k8oxNCPngAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f8829a6dbc0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952fa30>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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hT3QXtbq6+ujRo5GRke7u7kQ0duzYN998cxCOBkAciFFgY2NjuUWSfX19a2trr1+/7uzsvHv37r4NDhw4wD1HsrW1PX78OJ99bd26lYg2btzIu2qAoQIxCizLspcuXXrqqaeIaPz48dxYKO65UG1tbUhISN9JaENDA88d5eTkcM+yhKgaYEhAjMJ9SqWSu2zX19ePjo5mWfbo0aPjxo0jIktLy0c/dxo4hmG4vP7xxx8F6RBAdJjFBPfZ2tqmpqZu2bJFo9G8/fbbTk5OYWFhTU1Ny5cvv3nzZmRkpCB7kUgkS5YsIeFemA8gOsQo/MzAwGDPnj3cWChra2tzc/PY2NikpKQHxoTyJOy6IwCi0/a1vTByrVq1Kjc318rKqq2tzXEQXri0ePHiGTNmzJkzp7u7WyaTCd4/gI5JubHQAP1ZWVkZGRlx4/MFZ2RkJJPJOjs7HRwcbGxsBmMXALqEi3oQgaurKxHdvn1b7EIABIAYBRH0xSjLsmLXAsAXYhREYGtra2Fh0d7eXldXJ3YtAHwhRkEcLi4uhOt6GBEQoyAO7rq+tLRU7EIA+JLg5hSIQq1WV1RUPP3009xLowGGL5yNgjiamprKy8tVKpXYhQDwhRgFcdjb25ubm3d2dl67dq2hoUHscgC0hxgFcdy7d8/ExEStVldVVYldCwAvuDcKImtpabGyshK7CgDtIUYBAHjBRT0AAC+IUQAAXhCjAAC8IEYBAHhBjAIA8IIYBQDgBTEKYqqrq0tPT29ubha7EADtIUZBTJgSCiMAYhTEhCmhMAJgFhMMCZgSCsMXzkZBNHfv3u37GRkKwxdiFMRx9erVL7/8Mi0tTexCAPhCjIIIbty4kZqaSkTjxo0TuxYAvhCjoGu3bt06deoUy7KBgYEzZ84Uuxxe4uPjx48f/84774hdCIgJMQo6VVZWlpiYyDCMr6/v/PnzxS6Hr/b29pqamtbWVrELATEhRuHJdHV1VVdXnzx5sr6+/knbXrly5b333iMiT0/PhQsXCl8cgBiwKCM8gZ6entWrV//000+XL18mokmTJnl5eXl7e3t5ebm7u0skkke0vXHjxtKlS1taWqKjo5csWaKrkgEGHWIUBkqj0YSHh6emplpZWfn4+OTm5paWlpaWlh48eJCI7Ozs5s+f7+PjM3/+/JkzZxoYGPRve+fOnaCgoJaWlpUrV27duvXRgQswvCBGYUBYlt24cePJkyctLS0vXLgwffr03t7eoqKirKwshUJx6dKlioqKEydOnDhxgohMTExmzJjBnaV6e3t3dnYGBgbW1tb6+/sfPnwYC9PDCIMvNAxIVFTUF198YWJi8u23306fPp2IpFKph4eHh4dHZGQkEZWUlHCRqlAouHjNysriNrOwsGhubp43b96pU6eMjIxEPhIAoSFG4fHefTf6448/NjIySkpK8vLyeug2zs7Ozs7OL7zwAhGpVKqrV68qFIqsrKzMzEyZTGZlZXXmzBlTU1PdFj7oZLLwyZO9zM2txS4ExIQYhcfYu5c+/zx84sQvP/jg//z8/AbSxNzcPCAgICAggIja29vlcnlLS0tjY+PIm/HZ3T2uuHicSiV2HSAqDHgamWpqarKysvLz83NzcxsbG7Xu5/PP6Y03qLp64l//+uNzzz2nRQ9jxoxZunQpESUlJWldBsBQhhgdmRwcHIyNjTUajUqlMjQ01K6T48dp40ZiWfroI1q3TstOiCgkJIQQozByIUZHpubmZqVS2d3dbWVlVVJS0vdSZJZlGYYZSA9pabRuHfX20nvv0Ztv8iomODjY0NAwMzOzqamJV0cAQxLujY5MY8eODQ4O5n4uKyu7ceOGXC4nooqKin/+85/29vZyuVwulzs6OhobG/+6eV4erVxJ3d303/9N27bxLcbc3HzBggXp6elnz55dt24d3+4AhhjE6Mg3ceJES0tL7vFOQ0ODWq2urKysrKzMysoyMZn91VfLvL3Jy4t8fGjixPtNpk2jP/yBGIaio4WpISQkJD09PSkpCTEKIw/efj/qdHZ2VlZW3r17t7KyMjvbMybGo+9XoaHk5kZ/+Qtt305/+QuxLOkJdNenoqLi6aeftrCwqK+v1/pe7a/V1NSUlZX91hgsHaiuplu3aMIEmjxZrBJAfDgbHXVMTEzc3Nzc3NyIaP16evVVUigoK4suXKAJE4hliVsVSSIhAWdsOjk5TZs2LT8/PzMz09/fX6huHRwc6urq+v5TpVL1f6M+p7W19dcLPQUGBgryqtNDh+inn+7/4fnrX/n3B8MSYnRUMzCgWbNo1izasoUYhnbvpnXrKCZmUPYVEhKSn5+flJQkYIxyT9JKSkpaW1vlcnlDQ8OxY8ce2ObevXu7du164MPLly/zj1HuQq7vDw/LCvmHB4YRxCjcp6dHEgmZmpJcTpcuEcMIdkXPCQkJef/995OSkvbs2SNUn9yTtLKysqqqKrlcbmFh4eHh8cA2TU1N4eHhD3xobc1r3lFxMW3dSsuWERG99hrFxFBVFc2eTZ98QgsW8OkYhicW4Jd8fVki9soVgbvt7e21t7cnovz8fIG7Ztnm5mbB+3yolhb2jTdYAwOWiHV1ZT/4gG1pYePiWGdnloiVSNiwMLaiQje1wFCBcaPwoGeeISISfLC8np4eN53p9OnTAnetk4VFWZb99tuWyZNpzx5iGNqwgbKy6L/+iywt6U9/oh9/pJ07ydiYjh6lKVMoJqZNrVYPdkkwRCBG4UEhIUREg5B1w3g6U3l5eWxsbFHRVxqN2teXrl2jmBiysfl5A2Nj2rGDiotp/Xrq6qKurpOffvppXl4ei5EwowAGPMGD1GqytaXWViot/XkkqSA6OzttbGy6urpqamrs7OyE7HrQtLa2njt37ubNm0RkaWk5d+46T0+bRzfJy7t39WpCTU0NETk6OgYFBTk4OOiiVhCJdOfOnWLXAEOLVErXr1NBATk7k6enkD0bGBgkJSVVVVVdunRJpVLp6enZ2dlJpVIh9yGoe/fuffbZZ0ql0sDAYOHChWvWrJHLzR7byt7eYObMmZaWltXV1Y2Njbm5ua6urmZmj28IwxTORuEhvv6aIiIoMJDOnROy24sXLwYFBRkbG/ctpWliYjJnzhxu6RE/Pz+ZTCbk/p5cUVERwzCTJk3qe710ampqW1vb4sWLLSwsnrQ3tVqdlZVVXV3t7u7Osqyzs7MWncDQhxiFh2hupjlzep5++vqJE1PMzc0F6TM7O9vf37+trW39+vWBgYHcS50LCwu5byD3ymdra2tupr+Tk5OlpaUg+30i33333fjx44mora1NLpfb2NiwLMtz5SiWZWtqahobGzs6OmQyGdetQPXCkIAYhYdbuHBhRkbGkSNHwsLC+PdWUFDg6+vb1NT0/PPPx8fH6/17SGpzczO33IiRkZG+vn5vb29fEwsLC7lc7ubm1tXVpbPoKSwsZBims7OztrZ2/vz5Qu1UqVSWl5ebm5sXFxcL2C0MEYhReLjdu3dHRUVFRERwC3/yUVpa6uPjU1NTs2LFisTExAcWDe3DMIxSqbx79+7du3fLy8s7OzuJaPXq1WVlZbqPnpaWlsEYRDVI3YK4EKPwcHfu3HF1dR07dqxSqeSzlmdNTY2Pj09paemiRYuSk5MHuKQdy7KNjY1VVVUzZsxA9MAQhxiF3zRlypRbt25lZGQs0HaGY1NTk6+vb0FBwbPPPpueno6n1TAiYfg9/Caeo+Xb2tqCg4MLCgqmTZuWnJyMDIWRCjEKv4mL0a+//jo1NVX1hKtf3rt3b8WKFdnZ2c7OzufOnRPkrXQAQxMu6uE39fb2bt26df/+/W1tbVKp1M3Nzdvb28vLy8fHZ+Ijpzep1eo1a9Z8++2348ePz8zMfPTGAMMdYhQepaOj491331UoFDk5OT09PX2fOzk5+fj4eHl5eXt7u7u76/V7px7DMBEREYcOHbK2ts7IyHB3dxejcADdQYzCgGg0mry8PG7M/IULF/qv8WlmZubp6clF6vz587du3RoTE2Nubn7+/PnZs2eLWDOAbiBG4YkxDFNYWJiZmZmVlaVQKCoqKvp+ZWBgoFarjY2NU1NTtX6+DzC8IEaBr9ra2pycHC5Sr169GhUV5e3tzb1aFGA0QIyCkFQqlVBz8AGGC8QoAAAvGDcKAMALYhQAgBfEKAAAL4hRAABe/h8J2AwM8fF0FAAAAABJRU5ErkJggg==\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f710>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f6c0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f300>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f882952f210>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "for mol in mols:\n",
    "    bonds = getLinkerbond(mol, False)\n",
    "    if bonds:\n",
    "        res = Chem.FragmentOnBonds(mol, bonds)\n",
    "        display(res)\n",
    "    else:\n",
    "        display(mol)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [],
   "source": [
    "frgs = Chem.GetMolFrags(res, asMols=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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lefz4/Wl5edLFRer1sgX3Ubl2Tc6fL195Raan3592+rQcNEjq9fL/N+43Q0mJDAiQzs4/T8vOlk5OMiBAlpU1e1pxsQwIkO7uMiPj/jSDQQ4cKAMCZHNe+KvRnrnl5OTk5OQca3yWggdenLp3715t8563t3cLntjExcUJIRwdHcvLy52dnYUQW7ZsaY8FAwDaFeH+GNwOsj3k5eV9++23RUVFp06dMhqNrZz23XffTZo0qWfPngMHDtR2mLRqXHW1DAuTUsqGBrlihTTzmj3T2m5aRUVFcnLymTNnDh06lJGR0frvkC5j69at2nWEiooK7ZUAX3/9dbMm3LlzR3u59rZt29asWSOE+P3vf88tfQBARV18j3vLWFtb79q1y97efs+ePTt27Ojs5XQRr776qq+vb0NDQ5tsltViPTs7Oy0tLS8vr7XvJtOr19P+yLT2n9avX79JkyYNGzZs8ODBlZWVrVpV17JgwYJhw4Z9//33X375pfbOqaGhoUaj0fwJa9euvXr1qoeHx+TJk7Vwj4qKsra2bq8VAwDaTRe/q0xr7Nix4/3337e1tc3KyhoyZIj5J3JXmae7efNm7969O3sVj8jKEomJoqFBzJ0rmvPlZlpbThNC/Gq/QzrP0aNHx48fb2dnl5+f7+/vn5mZuXz58tWrV5tzbnFxsaura01NTVpa2rZt27Zv3z5jxgxtmzsAQDmE+9MEBATExcV5enqeOHFCe48bc1y6dMnZ2ZlwB9BW/P399+3bFxgY+Ne//tXHx6dHjx7ffffdb3/72yZPnD179p49e959992lS5f+4Q9/sLKyOnv2rLbNHQCgHLbKPM3nn3/u4uKSnZ0dFhbW5MElJSVffPGFn5+fm5ubTqcLCQnpgBUCeBZs2LBBp9Pt3LnTwsJizpw5d+/eNecnTHp6enx8vI2NTWRkZHBwsMlkWrx4MdUOAOriinsTDAbDqFGj6uvrExMTp02b9ugBRUVFCQkJCQkJ2m3ahBA6nW7ixIkxMTGNNzwBgFYKCwtbs2aNt7d3fHy8q6vr7du3U1NT33jjjScdbzKZRo4caTAYPvnkk9/97nfvvfeeo6PjhQsXHBwcOnDVAIC2RLg3bd26daGhof379z9z5swLL7ygPVhUVJSYmBgfH6/d7l0IYWNjM378eL1eP2PGDHt7+05dMoCuxmg0DhkypLS09Ouvv75y5cq5c+c+/fTTF1988UnHm0ym2NjYL7744tChQ56enlevXt22bdu8efM6cs0AgLZFuDfNZDJNnjw5JSVl4sSJGzZsSEhIOHjwYFZWlvbRnj17jhs3Tq/X+/v729nZde5SAXRh27dvnzdvnpOTU35+vvk/bSIiIv7xj394eHgYDIZu3dgeCQAKI9zNUlZWNnz48IqKisZP13PPPTd9+nR/f/8JEyb06NGjc5cH4FkgpfT29s7MzAwPD//kk0/MOaW4uNjd3V27q4z25qkAAHUR7uZKSUm5dOnSihUrpk6dqtfrJ0+ezI2QAXSwEydOjBo1ytbW1vxbuVtaWs6aNWv37t3tujAAQAcg3JvHZDLxu2YAnejIkSMrVqzIyMgw8/hdu3aNHj3aycmpXVcFAOgAhDsAAACgAC4eAwAAAAog3AEAAAAFEO4AAACAAgh3AAAAQAGEOwAAAKAAwh0AAABQAOEOAAAAKIBwBwAAABRAuAMAAAAKINwBAAAABRDuAAAAgAIIdwAAAEABhDsAAACgAMIdAAAAUADhDgAAACiAcAcAAAAUQLgDAAAACiDcAQAAAAUQ7gAAAIACCHcAAABAAYQ7AAAAoADCHQAAAFAA4Q4AAAAogHAHAAAAFEC4AwAAAAog3AEAAAAFEO4AAACAAgh3AAAAQAGEOwAAAKAAwh0AAABQAOEOAAAAKIBwBwAAABRAuAMAAAAKINwBAAAABRDuAAAAgAIIdwAAAEABhDsAAACgAMIdAAAAUADhDgAAACiAcAcAAAAUQLgDAAAACiDcAQAAAAUQ7gAAAIACCHcAAABAAYQ7AAAAoADCHQAAAFAA4Q4AAAAogHAHAAAAFEC4AwAAAAog3AEAAAAFEO4AAACAAgh3AAAAQAGEOwAAAKAAwh0AAABQAOEOAAAAKIBwBwAAABRAuAMAAAAKINwBAAAABRDuAAAAgAIIdwAAAEABhDsAAACgAMIdAAAAUADhDgAAACiAcAcAAAAUQLgDAAAACiDcAQAAAAUQ7gAAAIACCHcAAABAAYQ7AAAAoADCHQAAAFAA4Q4AAAAogHAHAAAAFEC4AwAAAAog3AEAAAAFEO4AAACAAgh3AAAAQAGEOwAAAKAAwh0AAABQAOEOAAAAKIBwBwAAABRAuAMAAAAKINwBAAAABRDuAAAAgAIIdwAAAEABhDsAAACggP8DoWhOi+aVX84AAAAASUVORK5CYII=\n",
      "text/plain": [
       "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=1000x200 at 0x7F882951ED30>"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Draw.MolsToGridImage(frgs, molsPerRow=5)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.7.3"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}